USER MOD reduce.3.24.130724 H: found=0, std=0, add=2167, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 205 LYS HZ3B: A 205 LYS NZ B: A 301 RET C15B:(NH2R) USER MOD Set 1.1: A 199 TYR OH B: rot 139:sc= 0.759 USER MOD Set 1.2: B 74 ASN B:FLIP amide:sc= 0.865 F(o=-5.2!,f=1.6) USER MOD Set 2.1: A 189 THR OG1B: rot 164:sc= 1.29 USER MOD Set 2.2: B 62 SER OG B: rot -159:sc= -0.165 USER MOD Set 3.1: A 174 TYR OH B: rot 169:sc= 0.851 USER MOD Set 3.2: A 204 THR OG1B: rot -143:sc= 0.0944 USER MOD Set 4.1: A 150 SER OG B: rot 73:sc= 2.25 USER MOD Set 4.2: A 157 LYS NZ B:NH3+ 147:sc= 1.27 (180deg=-0.62) USER MOD Set 5.1: A 80 THR OG1B: rot -83:sc= 1.38 USER MOD Set 5.2: A 105 ASN B: amide:sc= 0.668 K(o=2,f=-0.51) USER MOD Set 5.3: A 109 MET CE B:methyl 160:sc= -0.0564 (180deg=-0.54) USER MOD Set 6.1: A 79 THR OG1B: rot -72:sc= 0.709 USER MOD Set 6.2: A 205 LYS NZ B:NH3+ -136:sc= 0.588 (180deg=0) USER MOD Set 7.1: A 19 THR OG1B: rot 76:sc= 1.12 USER MOD Set 7.2: A 44 SER OG B: rot 80:sc= 0.247 USER MOD Single : A 5 THR OG1B: rot 180:sc= 0 USER MOD Single : A 6 THR OG1B: rot 180:sc= 0 USER MOD Single : A 15 MET CE B:methyl -175:sc= -2.03 (180deg=-2.34) USER MOD Single : A 31 SER OG B: rot 180:sc= 0.026 USER MOD Single : A 36 TYR OH B: rot -30:sc= -0.168 USER MOD Single : A 37 TYR OH B: rot 30:sc= 0 USER MOD Single : A 39 THR OG1B: rot 79:sc= 1.35 USER MOD Single : A 51 TYR OH B: rot 147:sc= 1.31 USER MOD Single : A 54 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1B: rot 31:sc= 0.169 USER MOD Single : A 73 TYR OH B: rot 180:sc= 0 USER MOD Single : A 85 TYR OH B: rot 180:sc= 0 USER MOD Single : A 95 SER OG B: rot 180:sc= 0 USER MOD Single : A 103 THR OG1B: rot 103:sc= 1.32 USER MOD Single : A 106 THR OG1B: rot 75:sc= 0.981 USER MOD Single : A 117 MET CE B:methyl -157:sc= -0.0285 (180deg=-0.848) USER MOD Single : A 124 TYR OH B: rot 180:sc= 0 USER MOD Single : A 129 MET CE B:methyl -174:sc= 0 (180deg=-0.0587) USER MOD Single : A 139 TYR OH B: rot 180:sc= 0 USER MOD Single : A 140 TYR OH B: rot 180:sc= 0 USER MOD Single : A 145 MET CE B:methyl 159:sc= -0.0446 (180deg=-0.35) USER MOD Single : A 146 THR OG1B: rot 61:sc= 0.192 USER MOD Single : A 148 SER OG B: rot 145:sc= 0.105 USER MOD Single : A 151 GLN B: amide:sc= -0.807 K(o=-0.81,f=-2.1!) USER MOD Single : A 153 SER OG B: rot 170:sc= 1.18 USER MOD Single : A 154 SER OG B: rot 180:sc= 0 USER MOD Single : A 158 SER OG B: rot 180:sc= 0 USER MOD Single : A 160 TYR OH B: rot 153:sc= 0.77 USER MOD Single : A 165 ASN B: amide:sc= -3.48! C(o=-3.5!,f=-7.8!) USER MOD Single : A 167 THR OG1B: rot 90:sc= 0.626 USER MOD Single : A 191 THR OG1B: rot 180:sc= 0 USER MOD Single : A 218 THR OG1B: rot 180:sc= 0 USER MOD Single : A 300 BOG O2 B: rot 35:sc= 0.0154 USER MOD Single : A 300 BOG O3 B: rot 146:sc= 0.00175 USER MOD Single : A 300 BOG O4 B: rot -153:sc= 0.748 USER MOD Single : A 300 BOG O6 B: rot 180:sc= 1.59 USER MOD Single : B 33 THR OG1B: rot 75:sc= 0.865 USER MOD Single : B 41 TYR OH B: rot 180:sc= 0 USER MOD Single : B 45 THR OG1B: rot 176:sc= 0.239 USER MOD Single : B 50 THR OG1B: rot -80:sc= 0.864 USER MOD Single : B 57 GLN B: amide:sc= -0.0227 X(o=-0.023,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N BGLY A 3 71.732 16.787 13.745 0.50 34.05 N ATOM 2 CA BGLY A 3 71.236 16.289 15.008 0.50 33.00 C ATOM 3 C BGLY A 3 72.399 15.819 15.861 0.50 31.69 C ATOM 4 O BGLY A 3 72.347 15.906 17.089 0.50 31.70 O ATOM 0 HA2BGLY A 3 70.745 16.986 15.470 0.50 33.00 H new ATOM 0 HA3BGLY A 3 70.617 15.558 14.857 0.50 33.00 H new ATOM 5 N BLEU A 4 73.449 15.312 15.221 0.50 29.77 N ATOM 6 CA BLEU A 4 74.609 14.853 15.972 0.50 29.82 C ATOM 7 C BLEU A 4 75.183 15.988 16.798 0.50 28.66 C ATOM 8 O BLEU A 4 75.274 15.871 18.019 0.50 27.48 O ATOM 9 CB BLEU A 4 75.697 14.302 15.043 0.50 30.73 C ATOM 10 CG BLEU A 4 75.442 12.913 14.451 0.50 30.88 C ATOM 11 CD1BLEU A 4 76.703 12.417 13.758 0.50 29.89 C ATOM 12 CD2BLEU A 4 75.036 11.944 15.560 0.50 30.75 C ATOM 0 H BLEU A 4 73.509 15.226 14.367 0.50 29.77 H new ATOM 0 HA BLEU A 4 74.313 14.138 16.558 0.50 29.82 H new ATOM 0 HB2BLEU A 4 75.819 14.927 14.312 0.50 30.73 H new ATOM 0 HB3BLEU A 4 76.533 14.275 15.535 0.50 30.73 H new ATOM 0 HG BLEU A 4 74.722 12.965 13.803 0.50 30.88 H new ATOM 0 HD11BLEU A 4 76.542 11.537 13.383 0.50 29.89 H new ATOM 0 HD12BLEU A 4 76.945 13.031 13.048 0.50 29.89 H new ATOM 0 HD13BLEU A 4 77.427 12.366 14.401 0.50 29.89 H new ATOM 0 HD21BLEU A 4 74.876 11.066 15.180 0.50 30.75 H new ATOM 0 HD22BLEU A 4 75.748 11.887 16.217 0.50 30.75 H new ATOM 0 HD23BLEU A 4 74.226 12.263 15.989 0.50 30.75 H new ATOM 13 N BTHR A 5 75.555 17.090 16.138 0.50 27.65 N ATOM 14 CA BTHR A 5 76.127 18.229 16.849 0.50 28.78 C ATOM 15 C BTHR A 5 75.144 18.767 17.889 0.50 27.89 C ATOM 16 O BTHR A 5 75.547 19.292 18.919 0.50 28.67 O ATOM 17 CB BTHR A 5 76.563 19.388 15.878 0.50 30.40 C ATOM 18 OG1BTHR A 5 75.457 19.787 15.059 0.50 31.85 O ATOM 19 CG2BTHR A 5 77.728 18.940 14.988 0.50 27.96 C ATOM 0 H BTHR A 5 75.484 17.194 15.287 0.50 27.65 H new ATOM 0 HA BTHR A 5 76.925 17.905 17.295 0.50 28.78 H new ATOM 0 HB BTHR A 5 76.853 20.142 16.415 0.50 30.40 H new ATOM 0 HG1BTHR A 5 75.698 20.406 14.545 0.50 31.85 H new ATOM 0 HG21BTHR A 5 77.982 19.666 14.397 0.50 27.96 H new ATOM 0 HG22BTHR A 5 78.485 18.696 15.544 0.50 27.96 H new ATOM 0 HG23BTHR A 5 77.455 18.174 14.459 0.50 27.96 H new ATOM 20 N BTHR A 6 73.855 18.619 17.626 0.50 27.32 N ATOM 21 CA BTHR A 6 72.841 19.079 18.566 0.50 27.86 C ATOM 22 C BTHR A 6 72.902 18.220 19.823 0.50 26.74 C ATOM 23 O BTHR A 6 72.750 18.712 20.943 0.50 27.04 O ATOM 24 CB BTHR A 6 71.428 18.975 17.970 0.50 28.37 C ATOM 25 OG1BTHR A 6 71.370 19.720 16.749 0.50 32.07 O ATOM 26 CG2BTHR A 6 70.413 19.528 18.936 0.50 28.06 C ATOM 0 H BTHR A 6 73.545 18.256 16.911 0.50 27.32 H new ATOM 0 HA BTHR A 6 73.021 20.010 18.770 0.50 27.86 H new ATOM 0 HB BTHR A 6 71.228 18.042 17.798 0.50 28.37 H new ATOM 0 HG1BTHR A 6 70.598 19.662 16.422 0.50 32.07 H new ATOM 0 HG21BTHR A 6 69.526 19.457 18.550 0.50 28.06 H new ATOM 0 HG22BTHR A 6 70.446 19.024 19.764 0.50 28.06 H new ATOM 0 HG23BTHR A 6 70.613 20.460 19.117 0.50 28.06 H new ATOM 27 N BLEU A 7 73.109 16.923 19.639 0.50 24.83 N ATOM 28 CA BLEU A 7 73.216 16.049 20.791 0.50 22.86 C ATOM 29 C BLEU A 7 74.533 16.365 21.497 0.50 21.73 C ATOM 30 O BLEU A 7 74.604 16.336 22.726 0.50 22.17 O ATOM 31 CB BLEU A 7 73.139 14.586 20.352 0.50 22.77 C ATOM 32 CG BLEU A 7 71.691 14.158 20.062 0.50 23.88 C ATOM 33 CD1BLEU A 7 71.667 12.824 19.335 0.50 25.50 C ATOM 34 CD2BLEU A 7 70.919 14.055 21.382 0.50 23.97 C ATOM 0 H BLEU A 7 73.188 16.538 18.874 0.50 24.83 H new ATOM 0 HA BLEU A 7 72.481 16.195 21.407 0.50 22.86 H new ATOM 0 HB2BLEU A 7 73.681 14.457 19.558 0.50 22.77 H new ATOM 0 HB3BLEU A 7 73.512 14.019 21.045 0.50 22.77 H new ATOM 0 HG BLEU A 7 71.271 14.822 19.493 0.50 23.88 H new ATOM 0 HD11BLEU A 7 70.748 12.568 19.159 0.50 25.50 H new ATOM 0 HD12BLEU A 7 72.146 12.904 18.495 0.50 25.50 H new ATOM 0 HD13BLEU A 7 72.091 12.147 19.886 0.50 25.50 H new ATOM 0 HD21BLEU A 7 70.005 13.785 21.202 0.50 23.97 H new ATOM 0 HD22BLEU A 7 71.343 13.397 21.955 0.50 23.97 H new ATOM 0 HD23BLEU A 7 70.920 14.918 21.826 0.50 23.97 H new ATOM 35 N BPHE A 8 75.568 16.696 20.724 0.50 19.81 N ATOM 36 CA BPHE A 8 76.859 17.040 21.314 0.50 20.28 C ATOM 37 C BPHE A 8 76.755 18.340 22.109 0.50 20.99 C ATOM 38 O BPHE A 8 77.331 18.459 23.196 0.50 22.08 O ATOM 39 CB BPHE A 8 77.951 17.180 20.237 0.50 15.79 C ATOM 40 CG BPHE A 8 78.416 15.860 19.653 0.50 15.45 C ATOM 41 CD1BPHE A 8 78.612 14.750 20.471 0.50 12.51 C ATOM 42 CD2BPHE A 8 78.696 15.742 18.291 0.50 16.03 C ATOM 43 CE1BPHE A 8 79.077 13.545 19.952 0.50 12.63 C ATOM 44 CE2BPHE A 8 79.166 14.535 17.751 0.50 15.98 C ATOM 45 CZ BPHE A 8 79.357 13.431 18.588 0.50 14.51 C ATOM 0 H BPHE A 8 75.543 16.727 19.865 0.50 19.81 H new ATOM 0 HA BPHE A 8 77.108 16.317 21.911 0.50 20.28 H new ATOM 0 HB2BPHE A 8 77.615 17.740 19.520 0.50 15.79 H new ATOM 0 HB3BPHE A 8 78.714 17.640 20.621 0.50 15.79 H new ATOM 0 HD1BPHE A 8 78.429 14.815 21.380 0.50 12.51 H new ATOM 0 HD2BPHE A 8 78.569 16.475 17.732 0.50 16.03 H new ATOM 0 HE1BPHE A 8 79.201 12.815 20.514 0.50 12.63 H new ATOM 0 HE2BPHE A 8 79.349 14.470 16.842 0.50 15.98 H new ATOM 0 HZ BPHE A 8 79.668 12.627 18.239 0.50 14.51 H new ATOM 46 N BTRP A 9 76.024 19.315 21.573 0.50 21.41 N ATOM 47 CA BTRP A 9 75.859 20.589 22.263 0.50 22.84 C ATOM 48 C BTRP A 9 75.102 20.372 23.565 0.50 23.13 C ATOM 49 O BTRP A 9 75.397 21.007 24.583 0.50 24.26 O ATOM 50 CB BTRP A 9 75.107 21.595 21.379 0.50 23.92 C ATOM 51 CG BTRP A 9 76.020 22.386 20.480 0.50 26.15 C ATOM 52 CD1BTRP A 9 75.970 22.461 19.117 0.50 23.82 C ATOM 53 CD2BTRP A 9 77.151 23.172 20.886 0.50 26.14 C ATOM 54 NE1BTRP A 9 77.008 23.239 18.647 0.50 26.66 N ATOM 55 CE2BTRP A 9 77.745 23.689 19.711 0.50 27.32 C ATOM 56 CE3BTRP A 9 77.721 23.486 22.127 0.50 26.22 C ATOM 57 CZ2BTRP A 9 78.889 24.505 19.740 0.50 28.75 C ATOM 58 CZ3BTRP A 9 78.864 24.299 22.158 0.50 28.01 C ATOM 59 CH2BTRP A 9 79.432 24.797 20.969 0.50 26.84 C ATOM 0 H BTRP A 9 75.619 19.259 20.817 0.50 21.41 H new ATOM 0 HA BTRP A 9 76.737 20.952 22.457 0.50 22.84 H new ATOM 0 HB2BTRP A 9 74.459 21.120 20.836 0.50 23.92 H new ATOM 0 HB3BTRP A 9 74.609 22.206 21.945 0.50 23.92 H new ATOM 0 HD1BTRP A 9 75.330 22.048 18.584 0.50 23.82 H new ATOM 0 HE1BTRP A 9 77.167 23.413 17.820 0.50 26.66 H new ATOM 0 HE3BTRP A 9 77.349 23.162 22.915 0.50 26.22 H new ATOM 0 HZ2BTRP A 9 79.265 24.835 18.956 0.50 28.75 H new ATOM 0 HZ3BTRP A 9 79.252 24.512 22.976 0.50 28.01 H new ATOM 0 HH2BTRP A 9 80.190 25.334 21.016 0.50 26.84 H new ATOM 60 N BLEU A 10 74.132 19.465 23.534 0.50 20.90 N ATOM 61 CA BLEU A 10 73.351 19.168 24.726 0.50 21.59 C ATOM 62 C BLEU A 10 74.247 18.581 25.822 0.50 23.03 C ATOM 63 O BLEU A 10 74.085 18.891 27.010 0.50 21.92 O ATOM 64 CB BLEU A 10 72.220 18.203 24.368 0.50 23.52 C ATOM 65 CG BLEU A 10 71.222 18.778 23.342 0.50 21.75 C ATOM 66 CD1BLEU A 10 70.145 17.742 23.034 0.50 25.02 C ATOM 67 CD2BLEU A 10 70.577 20.041 23.896 0.50 23.31 C ATOM 0 H BLEU A 10 73.912 19.013 22.836 0.50 20.90 H new ATOM 0 HA BLEU A 10 72.964 19.989 25.068 0.50 21.59 H new ATOM 0 HB2BLEU A 10 72.602 17.385 24.013 0.50 23.52 H new ATOM 0 HB3BLEU A 10 71.740 17.964 25.176 0.50 23.52 H new ATOM 0 HG BLEU A 10 71.698 18.997 22.526 0.50 21.75 H new ATOM 0 HD11BLEU A 10 69.520 18.107 22.389 0.50 25.02 H new ATOM 0 HD12BLEU A 10 70.558 16.945 22.668 0.50 25.02 H new ATOM 0 HD13BLEU A 10 69.672 17.515 23.850 0.50 25.02 H new ATOM 0 HD21BLEU A 10 69.951 20.397 23.246 0.50 23.31 H new ATOM 0 HD22BLEU A 10 70.105 19.830 24.717 0.50 23.31 H new ATOM 0 HD23BLEU A 10 71.263 20.702 24.079 0.50 23.31 H new ATOM 68 N BGLY A 11 75.188 17.729 25.419 0.50 21.20 N ATOM 69 CA BGLY A 11 76.107 17.154 26.379 0.50 22.06 C ATOM 70 C BGLY A 11 77.046 18.225 26.918 0.50 21.19 C ATOM 71 O BGLY A 11 77.346 18.249 28.111 0.50 23.01 O ATOM 0 H BGLY A 11 75.305 17.478 24.605 0.50 21.20 H new ATOM 0 HA2BGLY A 11 75.612 16.752 27.110 0.50 22.06 H new ATOM 0 HA3BGLY A 11 76.621 16.446 25.960 0.50 22.06 H new ATOM 72 N BALA A 12 77.507 19.124 26.054 0.50 20.16 N ATOM 73 CA BALA A 12 78.406 20.180 26.512 0.50 20.44 C ATOM 74 C BALA A 12 77.717 21.004 27.597 0.50 21.23 C ATOM 75 O BALA A 12 78.333 21.354 28.605 0.50 20.82 O ATOM 76 CB BALA A 12 78.830 21.078 25.339 0.50 16.73 C ATOM 0 H BALA A 12 77.317 19.142 25.215 0.50 20.16 H new ATOM 0 HA BALA A 12 79.206 19.775 26.882 0.50 20.44 H new ATOM 0 HB1BALA A 12 79.426 21.772 25.662 0.50 16.73 H new ATOM 0 HB2BALA A 12 79.288 20.544 24.671 0.50 16.73 H new ATOM 0 HB3BALA A 12 78.044 21.485 24.943 0.50 16.73 H new ATOM 77 N BILE A 13 76.430 21.285 27.387 0.50 22.74 N ATOM 78 CA BILE A 13 75.617 22.059 28.334 0.50 23.47 C ATOM 79 C BILE A 13 75.410 21.323 29.655 0.50 23.40 C ATOM 80 O BILE A 13 75.598 21.901 30.731 0.50 24.78 O ATOM 81 CB BILE A 13 74.223 22.399 27.727 0.50 24.53 C ATOM 82 CG1BILE A 13 74.393 23.393 26.577 0.50 25.26 C ATOM 83 CG2BILE A 13 73.313 22.997 28.792 0.50 25.63 C ATOM 84 CD1BILE A 13 73.224 23.419 25.599 0.50 28.06 C ATOM 0 H BILE A 13 76.000 21.031 26.687 0.50 22.74 H new ATOM 0 HA BILE A 13 76.110 22.876 28.509 0.50 23.47 H new ATOM 0 HB BILE A 13 73.819 21.583 27.393 0.50 24.53 H new ATOM 0 HG12BILE A 13 74.513 24.282 26.946 0.50 25.26 H new ATOM 0 HG13BILE A 13 75.204 23.175 26.091 0.50 25.26 H new ATOM 0 HG21BILE A 13 72.450 23.204 28.401 0.50 25.63 H new ATOM 0 HG22BILE A 13 73.196 22.359 29.514 0.50 25.63 H new ATOM 0 HG23BILE A 13 73.713 23.809 29.140 0.50 25.63 H new ATOM 0 HD11BILE A 13 73.401 24.068 24.901 0.50 28.06 H new ATOM 0 HD12BILE A 13 73.114 22.541 25.203 0.50 28.06 H new ATOM 0 HD13BILE A 13 72.413 23.665 26.071 0.50 28.06 H new ATOM 85 N BGLY A 14 75.015 20.055 29.573 0.50 22.44 N ATOM 86 CA BGLY A 14 74.807 19.271 30.780 0.50 22.73 C ATOM 87 C BGLY A 14 76.078 19.217 31.612 0.50 22.89 C ATOM 88 O BGLY A 14 76.039 19.347 32.831 0.50 22.70 O ATOM 0 H BGLY A 14 74.864 19.637 28.837 0.50 22.44 H new ATOM 0 HA2BGLY A 14 74.089 19.659 31.304 0.50 22.73 H new ATOM 0 HA3BGLY A 14 74.531 18.372 30.543 0.50 22.73 H new ATOM 89 N BMET A 15 77.209 19.018 30.942 0.50 23.69 N ATOM 90 CA BMET A 15 78.503 18.967 31.611 0.50 24.13 C ATOM 91 C BMET A 15 78.833 20.342 32.187 0.50 24.85 C ATOM 92 O BMET A 15 79.359 20.450 33.299 0.50 25.57 O ATOM 93 CB BMET A 15 79.596 18.545 30.623 0.50 23.98 C ATOM 94 CG BMET A 15 79.482 17.104 30.132 0.50 23.35 C ATOM 95 SD BMET A 15 79.589 15.935 31.494 0.50 24.39 S ATOM 96 CE BMET A 15 79.171 14.366 30.698 0.50 23.69 C ATOM 0 H BMET A 15 77.247 18.909 30.090 0.50 23.69 H new ATOM 0 HA BMET A 15 78.462 18.315 32.328 0.50 24.13 H new ATOM 0 HB2BMET A 15 79.570 19.139 29.857 0.50 23.98 H new ATOM 0 HB3BMET A 15 80.461 18.664 31.045 0.50 23.98 H new ATOM 0 HG2BMET A 15 78.639 16.985 29.667 0.50 23.35 H new ATOM 0 HG3BMET A 15 80.187 16.922 29.492 0.50 23.35 H new ATOM 0 HE1BMET A 15 79.121 13.666 31.368 0.50 23.69 H new ATOM 0 HE2BMET A 15 78.313 14.448 30.252 0.50 23.69 H new ATOM 0 HE3BMET A 15 79.854 14.141 30.047 0.50 23.69 H new ATOM 97 N BLEU A 16 78.527 21.390 31.429 0.50 24.58 N ATOM 98 CA BLEU A 16 78.782 22.749 31.902 0.50 27.44 C ATOM 99 C BLEU A 16 77.934 23.013 33.144 0.50 26.44 C ATOM 100 O BLEU A 16 78.418 23.552 34.135 0.50 26.45 O ATOM 101 CB BLEU A 16 78.451 23.786 30.816 0.50 26.77 C ATOM 102 CG BLEU A 16 78.693 25.254 31.207 0.50 31.08 C ATOM 103 CD1BLEU A 16 80.173 25.482 31.522 0.50 30.43 C ATOM 104 CD2BLEU A 16 78.249 26.182 30.069 0.50 31.28 C ATOM 0 H BLEU A 16 78.175 21.339 30.646 0.50 24.58 H new ATOM 0 HA BLEU A 16 79.724 22.831 32.118 0.50 27.44 H new ATOM 0 HB2BLEU A 16 78.980 23.586 30.028 0.50 26.77 H new ATOM 0 HB3BLEU A 16 77.519 23.683 30.566 0.50 26.77 H new ATOM 0 HG BLEU A 16 78.171 25.455 31.999 0.50 31.08 H new ATOM 0 HD11BLEU A 16 80.313 26.410 31.767 0.50 30.43 H new ATOM 0 HD12BLEU A 16 80.439 24.910 32.259 0.50 30.43 H new ATOM 0 HD13BLEU A 16 80.707 25.270 30.740 0.50 30.43 H new ATOM 0 HD21BLEU A 16 78.405 27.105 30.324 0.50 31.28 H new ATOM 0 HD22BLEU A 16 78.757 25.978 29.268 0.50 31.28 H new ATOM 0 HD23BLEU A 16 77.304 26.051 29.894 0.50 31.28 H new ATOM 105 N BVAL A 17 76.667 22.622 33.091 0.50 28.27 N ATOM 106 CA BVAL A 17 75.787 22.827 34.234 0.50 30.72 C ATOM 107 C BVAL A 17 76.366 22.141 35.468 0.50 29.74 C ATOM 108 O BVAL A 17 76.365 22.707 36.558 0.50 30.13 O ATOM 109 CB BVAL A 17 74.372 22.285 33.956 0.50 32.25 C ATOM 110 CG1BVAL A 17 73.506 22.424 35.193 0.50 33.66 C ATOM 111 CG2BVAL A 17 73.753 23.050 32.806 0.50 33.30 C ATOM 0 H BVAL A 17 76.301 22.241 32.413 0.50 28.27 H new ATOM 0 HA BVAL A 17 75.721 23.782 34.392 0.50 30.72 H new ATOM 0 HB BVAL A 17 74.433 21.346 33.722 0.50 32.25 H new ATOM 0 HG11BVAL A 17 72.618 22.080 35.007 0.50 33.66 H new ATOM 0 HG12BVAL A 17 73.901 21.921 35.923 0.50 33.66 H new ATOM 0 HG13BVAL A 17 73.444 23.360 35.442 0.50 33.66 H new ATOM 0 HG21BVAL A 17 72.862 22.708 32.632 0.50 33.30 H new ATOM 0 HG22BVAL A 17 73.699 23.991 33.035 0.50 33.30 H new ATOM 0 HG23BVAL A 17 74.301 22.942 32.013 0.50 33.30 H new ATOM 112 N BGLY A 18 76.878 20.929 35.289 0.50 29.47 N ATOM 113 CA BGLY A 18 77.459 20.214 36.412 0.50 27.41 C ATOM 114 C BGLY A 18 78.696 20.906 36.959 0.50 25.94 C ATOM 115 O BGLY A 18 78.822 21.119 38.165 0.50 26.33 O ATOM 0 H BGLY A 18 76.898 20.510 34.538 0.50 29.47 H new ATOM 0 HA2BGLY A 18 76.798 20.132 37.117 0.50 27.41 H new ATOM 0 HA3BGLY A 18 77.691 19.314 36.135 0.50 27.41 H new ATOM 116 N BTHR A 19 79.612 21.264 36.067 0.50 24.29 N ATOM 117 CA BTHR A 19 80.853 21.922 36.465 0.50 22.80 C ATOM 118 C BTHR A 19 80.564 23.157 37.325 0.50 23.93 C ATOM 119 O BTHR A 19 81.202 23.378 38.357 0.50 22.42 O ATOM 120 CB BTHR A 19 81.663 22.341 35.220 0.50 22.58 C ATOM 121 OG1BTHR A 19 81.773 21.224 34.325 0.50 21.88 O ATOM 122 CG2BTHR A 19 83.056 22.816 35.618 0.50 21.78 C ATOM 0 H BTHR A 19 79.534 21.134 35.220 0.50 24.29 H new ATOM 0 HA BTHR A 19 81.371 21.290 36.988 0.50 22.80 H new ATOM 0 HB BTHR A 19 81.202 23.072 34.780 0.50 22.58 H new ATOM 0 HG1BTHR A 19 81.044 21.115 33.922 0.50 21.88 H new ATOM 0 HG21BTHR A 19 83.549 23.075 34.824 0.50 21.78 H new ATOM 0 HG22BTHR A 19 82.980 23.578 36.214 0.50 21.78 H new ATOM 0 HG23BTHR A 19 83.526 22.098 36.070 0.50 21.78 H new ATOM 123 N BLEU A 20 79.599 23.962 36.896 0.50 24.06 N ATOM 124 CA BLEU A 20 79.236 25.158 37.642 0.50 26.80 C ATOM 125 C BLEU A 20 78.564 24.763 38.948 0.50 26.49 C ATOM 126 O BLEU A 20 78.861 25.311 40.007 0.50 26.66 O ATOM 127 CB BLEU A 20 78.299 26.040 36.806 0.50 26.06 C ATOM 128 CG BLEU A 20 78.924 26.480 35.479 0.50 26.21 C ATOM 129 CD1BLEU A 20 77.926 27.315 34.676 0.50 25.50 C ATOM 130 CD2BLEU A 20 80.203 27.268 35.761 0.50 24.55 C ATOM 0 H BLEU A 20 79.144 23.834 36.178 0.50 24.06 H new ATOM 0 HA BLEU A 20 80.039 25.665 37.841 0.50 26.80 H new ATOM 0 HB2BLEU A 20 77.479 25.554 36.627 0.50 26.06 H new ATOM 0 HB3BLEU A 20 78.057 26.826 37.321 0.50 26.06 H new ATOM 0 HG BLEU A 20 79.150 25.700 34.949 0.50 26.21 H new ATOM 0 HD11BLEU A 20 78.332 27.588 33.838 0.50 25.50 H new ATOM 0 HD12BLEU A 20 77.134 26.786 34.493 0.50 25.50 H new ATOM 0 HD13BLEU A 20 77.678 28.102 35.186 0.50 25.50 H new ATOM 0 HD21BLEU A 20 80.602 27.549 34.923 0.50 24.55 H new ATOM 0 HD22BLEU A 20 79.991 28.049 36.295 0.50 24.55 H new ATOM 0 HD23BLEU A 20 80.829 26.707 36.245 0.50 24.55 H new ATOM 131 N BALA A 21 77.660 23.798 38.871 0.50 27.41 N ATOM 132 CA BALA A 21 76.965 23.342 40.062 0.50 27.38 C ATOM 133 C BALA A 21 77.954 22.849 41.113 0.50 27.11 C ATOM 134 O BALA A 21 77.800 23.141 42.299 0.50 27.56 O ATOM 135 CB BALA A 21 75.992 22.238 39.698 0.50 26.47 C ATOM 0 H BALA A 21 77.436 23.397 38.144 0.50 27.41 H new ATOM 0 HA BALA A 21 76.474 24.089 40.438 0.50 27.38 H new ATOM 0 HB1BALA A 21 75.531 21.937 40.496 0.50 26.47 H new ATOM 0 HB2BALA A 21 75.345 22.575 39.058 0.50 26.47 H new ATOM 0 HB3BALA A 21 76.477 21.495 39.306 0.50 26.47 H new ATOM 136 N BPHE A 22 78.974 22.107 40.683 0.50 28.92 N ATOM 137 CA BPHE A 22 79.964 21.577 41.617 0.50 28.89 C ATOM 138 C BPHE A 22 80.950 22.634 42.099 0.50 30.32 C ATOM 139 O BPHE A 22 81.399 22.579 43.240 0.50 30.11 O ATOM 140 CB BPHE A 22 80.735 20.407 40.993 0.50 29.40 C ATOM 141 CG BPHE A 22 79.851 19.296 40.482 0.50 28.27 C ATOM 142 CD1BPHE A 22 78.636 19.002 41.109 0.50 26.16 C ATOM 143 CD2BPHE A 22 80.231 18.546 39.370 0.50 26.83 C ATOM 144 CE1BPHE A 22 77.809 17.980 40.631 0.50 27.24 C ATOM 145 CE2BPHE A 22 79.409 17.513 38.880 0.50 26.20 C ATOM 146 CZ BPHE A 22 78.198 17.232 39.511 0.50 26.15 C ATOM 0 H BPHE A 22 79.110 21.900 39.859 0.50 28.92 H new ATOM 0 HA BPHE A 22 79.465 21.266 42.389 0.50 28.89 H new ATOM 0 HB2BPHE A 22 81.275 20.741 40.260 0.50 29.40 H new ATOM 0 HB3BPHE A 22 81.346 20.045 41.654 0.50 29.40 H new ATOM 0 HD1BPHE A 22 78.374 19.493 41.854 0.50 26.16 H new ATOM 0 HD2BPHE A 22 81.038 18.730 38.946 0.50 26.83 H new ATOM 0 HE1BPHE A 22 77.002 17.797 41.056 0.50 27.24 H new ATOM 0 HE2BPHE A 22 79.673 17.019 38.137 0.50 26.20 H new ATOM 0 HZ BPHE A 22 77.651 16.552 39.190 0.50 26.15 H new ATOM 147 N BALA A 23 81.290 23.587 41.232 0.50 31.55 N ATOM 148 CA BALA A 23 82.218 24.659 41.596 0.50 33.41 C ATOM 149 C BALA A 23 81.599 25.510 42.706 0.50 34.61 C ATOM 150 O BALA A 23 82.257 25.877 43.679 0.50 33.36 O ATOM 151 CB BALA A 23 82.515 25.528 40.386 0.50 32.63 C ATOM 0 H BALA A 23 80.994 23.631 40.426 0.50 31.55 H new ATOM 0 HA BALA A 23 83.048 24.269 41.911 0.50 33.41 H new ATOM 0 HB1BALA A 23 83.130 26.234 40.638 0.50 32.63 H new ATOM 0 HB2BALA A 23 82.914 24.986 39.688 0.50 32.63 H new ATOM 0 HB3BALA A 23 81.690 25.920 40.058 0.50 32.63 H new ATOM 152 N BTRP A 24 80.321 25.817 42.537 0.50 36.36 N ATOM 153 CA BTRP A 24 79.576 26.604 43.500 0.50 38.14 C ATOM 154 C BTRP A 24 79.371 25.786 44.776 0.50 38.49 C ATOM 155 O BTRP A 24 79.479 26.310 45.879 0.50 37.87 O ATOM 156 CB BTRP A 24 78.228 27.004 42.886 0.50 39.32 C ATOM 157 CG BTRP A 24 77.271 27.673 43.831 0.50 41.50 C ATOM 158 CD1BTRP A 24 76.295 27.069 44.578 0.50 42.60 C ATOM 159 CD2BTRP A 24 77.195 29.072 44.126 0.50 41.10 C ATOM 160 NE1BTRP A 24 75.613 28.011 45.315 0.50 43.43 N ATOM 161 CE2BTRP A 24 76.145 29.247 45.058 0.50 42.38 C ATOM 162 CE3BTRP A 24 77.913 30.197 43.693 0.50 41.59 C ATOM 163 CZ2BTRP A 24 75.792 30.505 45.566 0.50 43.31 C ATOM 164 CZ3BTRP A 24 77.565 31.447 44.199 0.50 42.46 C ATOM 165 CH2BTRP A 24 76.511 31.590 45.128 0.50 42.89 C ATOM 0 H BTRP A 24 79.860 25.571 41.854 0.50 36.36 H new ATOM 0 HA BTRP A 24 80.067 27.409 43.727 0.50 38.14 H new ATOM 0 HB2BTRP A 24 78.393 27.600 42.139 0.50 39.32 H new ATOM 0 HB3BTRP A 24 77.804 26.209 42.527 0.50 39.32 H new ATOM 0 HD1BTRP A 24 76.119 26.156 44.586 0.50 42.60 H new ATOM 0 HE1BTRP A 24 74.959 27.850 45.850 0.50 43.43 H new ATOM 0 HE3BTRP A 24 78.607 30.110 43.080 0.50 41.59 H new ATOM 0 HZ2BTRP A 24 75.097 30.601 46.177 0.50 43.31 H new ATOM 0 HZ3BTRP A 24 78.034 32.200 43.921 0.50 42.46 H new ATOM 0 HH2BTRP A 24 76.299 32.436 45.450 0.50 42.89 H new ATOM 166 N BALA A 25 79.096 24.495 44.614 0.50 39.50 N ATOM 167 CA BALA A 25 78.870 23.605 45.752 0.50 40.12 C ATOM 168 C BALA A 25 80.031 23.584 46.740 0.50 39.93 C ATOM 169 O BALA A 25 79.827 23.436 47.946 0.50 39.31 O ATOM 170 CB BALA A 25 78.596 22.191 45.260 0.50 41.19 C ATOM 0 H BALA A 25 79.035 24.111 43.847 0.50 39.50 H new ATOM 0 HA BALA A 25 78.100 23.955 46.227 0.50 40.12 H new ATOM 0 HB1BALA A 25 78.447 21.607 46.020 0.50 41.19 H new ATOM 0 HB2BALA A 25 77.808 22.192 44.694 0.50 41.19 H new ATOM 0 HB3BALA A 25 79.358 21.872 44.752 0.50 41.19 H new ATOM 171 N BGLY A 26 81.250 23.722 46.228 0.50 39.31 N ATOM 172 CA BGLY A 26 82.410 23.704 47.097 0.50 39.50 C ATOM 173 C BGLY A 26 83.049 25.062 47.303 0.50 41.28 C ATOM 174 O BGLY A 26 84.184 25.152 47.775 0.50 39.69 O ATOM 0 H BGLY A 26 81.422 23.826 45.392 0.50 39.31 H new ATOM 0 HA2BGLY A 26 82.150 23.345 47.960 0.50 39.50 H new ATOM 0 HA3BGLY A 26 83.071 23.099 46.726 0.50 39.50 H new ATOM 175 N BARG A 27 82.325 26.122 46.957 0.50 42.25 N ATOM 176 CA BARG A 27 82.861 27.465 47.113 0.50 45.12 C ATOM 177 C BARG A 27 83.486 27.688 48.491 0.50 46.33 C ATOM 178 O BARG A 27 84.504 28.370 48.610 0.50 46.98 O ATOM 179 CB BARG A 27 81.772 28.516 46.850 0.50 45.65 C ATOM 180 CG BARG A 27 80.541 28.461 47.754 0.50 45.55 C ATOM 181 CD BARG A 27 79.572 29.576 47.349 0.50 46.66 C ATOM 182 NE BARG A 27 78.331 29.616 48.125 0.50 47.64 N ATOM 183 CZ BARG A 27 77.388 28.674 48.105 0.50 48.30 C ATOM 184 NH1BARG A 27 77.534 27.594 47.350 0.50 47.17 N ATOM 185 NH2BARG A 27 76.281 28.824 48.825 0.50 47.67 N ATOM 0 H BARG A 27 81.529 26.084 46.633 0.50 42.25 H new ATOM 0 HA BARG A 27 83.567 27.564 46.456 0.50 45.12 H new ATOM 0 HB2BARG A 27 82.172 29.396 46.934 0.50 45.65 H new ATOM 0 HB3BARG A 27 81.478 28.425 45.930 0.50 45.65 H new ATOM 0 HG2BARG A 27 80.108 27.597 47.677 0.50 45.55 H new ATOM 0 HG3BARG A 27 80.802 28.566 48.682 0.50 45.55 H new ATOM 0 HD2BARG A 27 80.024 30.430 47.439 0.50 46.66 H new ATOM 0 HD3BARG A 27 79.350 29.470 46.411 0.50 46.66 H new ATOM 0 HE BARG A 27 78.201 30.298 48.632 0.50 47.64 H new ATOM 0 HH11BARG A 27 78.240 27.498 46.869 0.50 47.17 H new ATOM 0 HH12BARG A 27 76.922 26.990 47.341 0.50 47.17 H new ATOM 0 HH21BARG A 27 76.172 29.530 49.305 0.50 47.67 H new ATOM 0 HH22BARG A 27 75.673 28.216 48.811 0.50 47.67 H new ATOM 186 N BASP A 28 82.895 27.095 49.523 0.50 47.38 N ATOM 187 CA BASP A 28 83.408 27.258 50.881 0.50 49.37 C ATOM 188 C BASP A 28 83.974 25.975 51.489 0.50 49.53 C ATOM 189 O BASP A 28 83.827 25.740 52.689 0.50 49.24 O ATOM 190 CB BASP A 28 82.298 27.781 51.792 0.50 50.28 C ATOM 191 CG BASP A 28 81.100 26.862 51.821 0.50 49.70 C ATOM 192 OD1BASP A 28 80.357 26.816 50.819 0.50 50.43 O ATOM 193 OD2BASP A 28 80.909 26.175 52.844 0.50 51.00 O ATOM 0 H BASP A 28 82.198 26.595 49.460 0.50 47.38 H new ATOM 0 HA BASP A 28 84.141 27.889 50.814 0.50 49.37 H new ATOM 0 HB2BASP A 28 82.644 27.887 52.692 0.50 50.28 H new ATOM 0 HB3BASP A 28 82.021 28.660 51.489 0.50 50.28 H new ATOM 194 N BALA A 29 84.625 25.153 50.672 0.50 49.55 N ATOM 195 CA BALA A 29 85.191 23.897 51.158 0.50 49.84 C ATOM 196 C BALA A 29 86.289 24.125 52.191 0.50 50.20 C ATOM 197 O BALA A 29 87.118 25.022 52.041 0.50 50.91 O ATOM 198 CB BALA A 29 85.738 23.080 49.990 0.50 49.38 C ATOM 0 H BALA A 29 84.750 25.303 49.834 0.50 49.55 H new ATOM 0 HA BALA A 29 84.476 23.406 51.593 0.50 49.84 H new ATOM 0 HB1BALA A 29 86.111 22.249 50.323 0.50 49.38 H new ATOM 0 HB2BALA A 29 85.020 22.885 49.367 0.50 49.38 H new ATOM 0 HB3BALA A 29 86.430 23.586 49.537 0.50 49.38 H new ATOM 199 N BGLY A 30 86.315 23.204 53.160 0.50 50.49 N ATOM 200 CA BGLY A 30 87.346 23.169 54.176 0.50 50.99 C ATOM 201 C BGLY A 30 88.541 22.527 53.476 0.50 51.79 C ATOM 202 O BGLY A 30 88.381 21.881 52.429 0.50 51.85 O ATOM 0 H BGLY A 30 85.726 22.582 53.238 0.50 50.49 H new ATOM 0 HA2BGLY A 30 87.559 24.060 54.495 0.50 50.99 H new ATOM 0 HA3BGLY A 30 87.066 22.651 54.947 0.50 50.99 H new ATOM 203 N BSER A 31 89.734 22.679 54.042 0.50 51.79 N ATOM 204 CA BSER A 31 90.929 22.149 53.396 0.50 51.82 C ATOM 205 C BSER A 31 90.810 20.701 52.963 0.50 52.04 C ATOM 206 O BSER A 31 90.504 20.412 51.805 0.50 52.59 O ATOM 207 CB BSER A 31 92.166 22.333 54.284 0.50 51.29 C ATOM 208 OG BSER A 31 91.877 22.060 55.632 0.50 50.63 O ATOM 0 H BSER A 31 89.872 23.080 54.790 0.50 51.79 H new ATOM 0 HA BSER A 31 91.030 22.669 52.584 0.50 51.82 H new ATOM 0 HB2BSER A 31 92.875 21.746 53.979 0.50 51.29 H new ATOM 0 HB3BSER A 31 92.494 23.242 54.200 0.50 51.29 H new ATOM 0 HG BSER A 31 92.570 22.167 56.095 0.50 50.63 H new ATOM 209 N BGLY A 32 91.044 19.794 53.890 0.50 51.51 N ATOM 210 CA BGLY A 32 90.975 18.391 53.564 0.50 51.15 C ATOM 211 C BGLY A 32 89.676 18.002 52.906 0.50 50.74 C ATOM 212 O BGLY A 32 89.217 16.869 53.076 0.50 49.76 O ATOM 0 H BGLY A 32 91.243 19.970 54.708 0.50 51.51 H new ATOM 0 HA2BGLY A 32 91.711 18.165 52.974 0.50 51.15 H new ATOM 0 HA3BGLY A 32 91.090 17.870 54.374 0.50 51.15 H new ATOM 213 N BGLU A 33 89.056 18.886 52.126 0.50 49.87 N ATOM 214 CA BGLU A 33 87.814 18.337 51.592 0.50 47.95 C ATOM 215 C BGLU A 33 87.546 18.977 50.226 0.50 45.13 C ATOM 216 O BGLU A 33 86.699 18.514 49.457 0.50 44.36 O ATOM 217 CB BGLU A 33 86.657 18.632 52.554 0.50 49.64 C ATOM 218 CG BGLU A 33 85.288 18.212 52.045 0.50 53.61 C ATOM 219 CD BGLU A 33 84.190 18.458 53.060 0.50 56.72 C ATOM 220 OE1BGLU A 33 84.248 17.843 54.146 0.50 58.20 O ATOM 221 OE2BGLU A 33 83.271 19.265 52.776 0.50 58.20 O ATOM 0 H BGLU A 33 89.289 19.687 51.917 0.50 49.87 H new ATOM 0 HA BGLU A 33 87.890 17.375 51.493 0.50 47.95 H new ATOM 0 HB2BGLU A 33 86.829 18.181 53.395 0.50 49.64 H new ATOM 0 HB3BGLU A 33 86.642 19.584 52.740 0.50 49.64 H new ATOM 0 HG2BGLU A 33 85.086 18.698 51.230 0.50 53.61 H new ATOM 0 HG3BGLU A 33 85.307 17.270 51.815 0.50 53.61 H new ATOM 222 N BARG A 34 88.291 20.038 49.927 0.50 42.09 N ATOM 223 CA BARG A 34 88.138 20.752 48.667 0.50 39.91 C ATOM 224 C BARG A 34 88.678 19.958 47.482 0.50 38.53 C ATOM 225 O BARG A 34 88.319 20.232 46.338 0.50 37.04 O ATOM 226 CB BARG A 34 88.834 22.118 48.736 0.50 39.57 C ATOM 227 CG BARG A 34 88.828 22.884 47.411 0.50 40.61 C ATOM 228 CD BARG A 34 87.411 23.065 46.853 0.50 41.68 C ATOM 229 NE BARG A 34 86.924 24.435 46.974 0.50 42.58 N ATOM 230 CZ BARG A 34 87.498 25.486 46.395 0.50 43.81 C ATOM 231 NH1BARG A 34 88.584 25.322 45.651 0.50 43.15 N ATOM 232 NH2BARG A 34 86.985 26.702 46.555 0.50 44.01 N ATOM 0 H BARG A 34 88.895 20.361 50.447 0.50 42.09 H new ATOM 0 HA BARG A 34 87.186 20.878 48.528 0.50 39.91 H new ATOM 0 HB2BARG A 34 88.400 22.659 49.414 0.50 39.57 H new ATOM 0 HB3BARG A 34 89.752 21.989 49.021 0.50 39.57 H new ATOM 0 HG2BARG A 34 89.236 23.754 47.541 0.50 40.61 H new ATOM 0 HG3BARG A 34 89.371 22.409 46.762 0.50 40.61 H new ATOM 0 HD2BARG A 34 87.400 22.804 45.919 0.50 41.68 H new ATOM 0 HD3BARG A 34 86.805 22.469 47.321 0.50 41.68 H new ATOM 0 HE BARG A 34 86.221 24.572 47.450 0.50 42.58 H new ATOM 0 HH11BARG A 34 88.917 24.536 45.543 0.50 43.15 H new ATOM 0 HH12BARG A 34 88.955 26.001 45.277 0.50 43.15 H new ATOM 0 HH21BARG A 34 86.279 26.811 47.034 0.50 44.01 H new ATOM 0 HH22BARG A 34 87.359 27.379 46.179 0.50 44.01 H new ATOM 233 N BARG A 35 89.540 18.980 47.765 0.50 37.65 N ATOM 234 CA BARG A 35 90.126 18.132 46.730 0.50 37.09 C ATOM 235 C BARG A 35 89.032 17.342 46.018 0.50 34.53 C ATOM 236 O BARG A 35 89.128 17.064 44.827 0.50 34.32 O ATOM 237 CB BARG A 35 91.125 17.142 47.342 0.50 39.01 C ATOM 238 CG BARG A 35 92.432 17.744 47.829 0.50 42.66 C ATOM 239 CD BARG A 35 93.238 16.677 48.554 0.50 46.72 C ATOM 240 NE BARG A 35 92.427 16.062 49.603 0.50 50.36 N ATOM 241 CZ BARG A 35 92.812 15.034 50.351 0.50 50.53 C ATOM 242 NH1BARG A 35 94.008 14.493 50.172 0.50 50.26 N ATOM 243 NH2BARG A 35 91.993 14.547 51.275 0.50 49.89 N ATOM 0 H BARG A 35 89.800 18.791 48.563 0.50 37.65 H new ATOM 0 HA BARG A 35 90.586 18.706 46.098 0.50 37.09 H new ATOM 0 HB2BARG A 35 90.696 16.694 48.088 0.50 39.01 H new ATOM 0 HB3BARG A 35 91.327 16.462 46.681 0.50 39.01 H new ATOM 0 HG2BARG A 35 92.939 18.093 47.079 0.50 42.66 H new ATOM 0 HG3BARG A 35 92.255 18.490 48.423 0.50 42.66 H new ATOM 0 HD2BARG A 35 93.533 16.000 47.924 0.50 46.72 H new ATOM 0 HD3BARG A 35 94.036 17.071 48.941 0.50 46.72 H new ATOM 0 HE BARG A 35 91.645 16.389 49.746 0.50 50.36 H new ATOM 0 HH11BARG A 35 94.537 14.807 49.571 0.50 50.26 H new ATOM 0 HH12BARG A 35 94.256 13.828 50.657 0.50 50.26 H new ATOM 0 HH21BARG A 35 91.216 14.897 51.388 0.50 49.89 H new ATOM 0 HH22BARG A 35 92.240 13.882 51.761 0.50 49.89 H new ATOM 244 N BTYR A 36 88.003 16.970 46.767 0.50 31.86 N ATOM 245 CA BTYR A 36 86.887 16.213 46.223 0.50 30.46 C ATOM 246 C BTYR A 36 86.080 17.085 45.278 0.50 29.85 C ATOM 247 O BTYR A 36 85.724 16.664 44.176 0.50 28.56 O ATOM 248 CB BTYR A 36 86.007 15.717 47.363 0.50 30.19 C ATOM 249 CG BTYR A 36 86.680 14.664 48.211 0.50 33.87 C ATOM 250 CD1BTYR A 36 86.700 13.332 47.805 0.50 35.22 C ATOM 251 CD2BTYR A 36 87.326 15.001 49.405 0.50 34.38 C ATOM 252 CE1BTYR A 36 87.343 12.359 48.558 0.50 35.97 C ATOM 253 CE2BTYR A 36 87.980 14.028 50.172 0.50 35.51 C ATOM 254 CZ BTYR A 36 87.982 12.710 49.737 0.50 36.91 C ATOM 255 OH BTYR A 36 88.630 11.737 50.456 0.50 35.16 O ATOM 0 H BTYR A 36 87.932 17.150 47.605 0.50 31.86 H new ATOM 0 HA BTYR A 36 87.226 15.451 45.728 0.50 30.46 H new ATOM 0 HB2BTYR A 36 85.760 16.468 47.925 0.50 30.19 H new ATOM 0 HB3BTYR A 36 85.185 15.354 46.997 0.50 30.19 H new ATOM 0 HD1BTYR A 36 86.274 13.090 47.014 0.50 35.22 H new ATOM 0 HD2BTYR A 36 87.321 15.885 49.694 0.50 34.38 H new ATOM 0 HE1BTYR A 36 87.345 11.474 48.272 0.50 35.97 H new ATOM 0 HE2BTYR A 36 88.408 14.263 50.964 0.50 35.51 H new ATOM 0 HH BTYR A 36 88.247 10.999 50.338 0.50 35.16 H new ATOM 256 N BTYR A 37 85.793 18.306 45.721 0.50 29.14 N ATOM 257 CA BTYR A 37 85.037 19.258 44.918 0.50 29.42 C ATOM 258 C BTYR A 37 85.821 19.623 43.657 0.50 27.31 C ATOM 259 O BTYR A 37 85.260 19.686 42.572 0.50 25.73 O ATOM 260 CB BTYR A 37 84.756 20.532 45.729 0.50 29.46 C ATOM 261 CG BTYR A 37 83.621 20.401 46.724 0.50 32.02 C ATOM 262 CD1BTYR A 37 82.294 20.453 46.299 0.50 31.39 C ATOM 263 CD2BTYR A 37 83.873 20.237 48.091 0.50 31.23 C ATOM 264 CE1BTYR A 37 81.244 20.352 47.202 0.50 33.95 C ATOM 265 CE2BTYR A 37 82.824 20.130 49.009 0.50 33.41 C ATOM 266 CZ BTYR A 37 81.514 20.190 48.557 0.50 34.75 C ATOM 267 OH BTYR A 37 80.466 20.097 49.444 0.50 37.30 O ATOM 0 H BTYR A 37 86.030 18.604 46.492 0.50 29.14 H new ATOM 0 HA BTYR A 37 84.195 18.847 44.666 0.50 29.42 H new ATOM 0 HB2BTYR A 37 85.562 20.784 46.206 0.50 29.46 H new ATOM 0 HB3BTYR A 37 84.552 21.255 45.115 0.50 29.46 H new ATOM 0 HD1BTYR A 37 82.109 20.557 45.394 0.50 31.39 H new ATOM 0 HD2BTYR A 37 84.752 20.199 48.393 0.50 31.23 H new ATOM 0 HE1BTYR A 37 80.365 20.392 46.902 0.50 33.95 H new ATOM 0 HE2BTYR A 37 83.003 20.020 49.915 0.50 33.41 H new ATOM 0 HH BTYR A 37 79.804 19.751 49.060 0.50 37.30 H new ATOM 268 N BVAL A 38 87.120 19.862 43.820 0.50 25.19 N ATOM 269 CA BVAL A 38 87.981 20.239 42.708 0.50 23.10 C ATOM 270 C BVAL A 38 88.091 19.113 41.679 0.50 24.38 C ATOM 271 O BVAL A 38 88.251 19.367 40.482 0.50 24.66 O ATOM 272 CB BVAL A 38 89.397 20.631 43.226 0.50 25.00 C ATOM 273 CG1BVAL A 38 90.362 20.846 42.059 0.50 22.20 C ATOM 274 CG2BVAL A 38 89.301 21.907 44.080 0.50 22.42 C ATOM 0 H BVAL A 38 87.524 19.810 44.577 0.50 25.19 H new ATOM 0 HA BVAL A 38 87.579 21.006 42.271 0.50 23.10 H new ATOM 0 HB BVAL A 38 89.740 19.906 43.771 0.50 25.00 H new ATOM 0 HG11BVAL A 38 91.236 21.089 42.402 0.50 22.20 H new ATOM 0 HG12BVAL A 38 90.434 20.028 41.543 0.50 22.20 H new ATOM 0 HG13BVAL A 38 90.029 21.558 41.491 0.50 22.20 H new ATOM 0 HG21BVAL A 38 90.184 22.149 44.401 0.50 22.42 H new ATOM 0 HG22BVAL A 38 88.944 22.631 43.542 0.50 22.42 H new ATOM 0 HG23BVAL A 38 88.715 21.747 44.836 0.50 22.42 H new ATOM 275 N BTHR A 39 87.994 17.869 42.141 0.50 22.41 N ATOM 276 CA BTHR A 39 88.088 16.734 41.237 0.50 20.59 C ATOM 277 C BTHR A 39 86.804 16.640 40.418 0.50 21.02 C ATOM 278 O BTHR A 39 86.852 16.400 39.206 0.50 20.27 O ATOM 279 CB BTHR A 39 88.368 15.429 42.034 0.50 20.19 C ATOM 280 OG1BTHR A 39 89.617 15.575 42.734 0.50 19.61 O ATOM 281 CG2BTHR A 39 88.466 14.219 41.100 0.50 16.21 C ATOM 0 H BTHR A 39 87.875 17.665 42.968 0.50 22.41 H new ATOM 0 HA BTHR A 39 88.831 16.857 40.626 0.50 20.59 H new ATOM 0 HB BTHR A 39 87.636 15.282 42.653 0.50 20.19 H new ATOM 0 HG1BTHR A 39 89.499 16.040 43.424 0.50 19.61 H new ATOM 0 HG21BTHR A 39 88.641 13.420 41.622 0.50 16.21 H new ATOM 0 HG22BTHR A 39 87.631 14.114 40.618 0.50 16.21 H new ATOM 0 HG23BTHR A 39 89.189 14.356 40.468 0.50 16.21 H new ATOM 282 N BLEU A 40 85.663 16.864 41.072 0.50 20.33 N ATOM 283 CA BLEU A 40 84.366 16.825 40.397 0.50 20.69 C ATOM 284 C BLEU A 40 84.282 17.868 39.279 0.50 22.21 C ATOM 285 O BLEU A 40 83.754 17.594 38.191 0.50 22.55 O ATOM 286 CB BLEU A 40 83.237 17.075 41.395 0.50 20.26 C ATOM 287 CG BLEU A 40 82.958 15.946 42.389 0.50 22.13 C ATOM 288 CD1BLEU A 40 81.777 16.320 43.261 0.50 20.70 C ATOM 289 CD2BLEU A 40 82.680 14.639 41.624 0.50 20.80 C ATOM 0 H BLEU A 40 85.620 17.041 41.912 0.50 20.33 H new ATOM 0 HA BLEU A 40 84.272 15.942 40.007 0.50 20.69 H new ATOM 0 HB2BLEU A 40 83.445 17.879 41.896 0.50 20.26 H new ATOM 0 HB3BLEU A 40 82.423 17.253 40.898 0.50 20.26 H new ATOM 0 HG BLEU A 40 83.732 15.811 42.957 0.50 22.13 H new ATOM 0 HD11BLEU A 40 81.600 15.604 43.891 0.50 20.70 H new ATOM 0 HD12BLEU A 40 81.978 17.135 43.747 0.50 20.70 H new ATOM 0 HD13BLEU A 40 80.995 16.461 42.704 0.50 20.70 H new ATOM 0 HD21BLEU A 40 82.503 13.925 42.256 0.50 20.80 H new ATOM 0 HD22BLEU A 40 81.908 14.759 41.048 0.50 20.80 H new ATOM 0 HD23BLEU A 40 83.453 14.409 41.085 0.50 20.80 H new ATOM 290 N BVAL A 41 84.797 19.064 39.561 0.50 19.70 N ATOM 291 CA BVAL A 41 84.813 20.151 38.593 0.50 19.33 C ATOM 292 C BVAL A 41 85.698 19.776 37.397 0.50 17.77 C ATOM 293 O BVAL A 41 85.377 20.094 36.251 0.50 16.22 O ATOM 294 CB BVAL A 41 85.351 21.457 39.247 0.50 20.65 C ATOM 295 CG1BVAL A 41 85.601 22.521 38.186 0.50 20.71 C ATOM 296 CG2BVAL A 41 84.344 21.962 40.286 0.50 20.59 C ATOM 0 H BVAL A 41 85.147 19.265 40.321 0.50 19.70 H new ATOM 0 HA BVAL A 41 83.905 20.303 38.288 0.50 19.33 H new ATOM 0 HB BVAL A 41 86.194 21.267 39.688 0.50 20.65 H new ATOM 0 HG11BVAL A 41 85.935 23.327 38.609 0.50 20.71 H new ATOM 0 HG12BVAL A 41 86.256 22.195 37.549 0.50 20.71 H new ATOM 0 HG13BVAL A 41 84.771 22.719 37.724 0.50 20.71 H new ATOM 0 HG21BVAL A 41 84.680 22.776 40.693 0.50 20.59 H new ATOM 0 HG22BVAL A 41 83.495 22.144 39.853 0.50 20.59 H new ATOM 0 HG23BVAL A 41 84.219 21.286 40.971 0.50 20.59 H new ATOM 297 N BGLY A 42 86.806 19.096 37.680 0.50 17.91 N ATOM 298 CA BGLY A 42 87.726 18.683 36.630 0.50 17.98 C ATOM 299 C BGLY A 42 87.142 17.615 35.720 0.50 17.71 C ATOM 300 O BGLY A 42 87.316 17.661 34.509 0.50 18.18 O ATOM 0 H BGLY A 42 87.042 18.865 38.474 0.50 17.91 H new ATOM 0 HA2BGLY A 42 87.971 19.456 36.098 0.50 17.98 H new ATOM 0 HA3BGLY A 42 88.541 18.347 37.034 0.50 17.98 H new ATOM 301 N BILE A 43 86.435 16.659 36.306 0.50 16.24 N ATOM 302 CA BILE A 43 85.823 15.579 35.543 0.50 17.23 C ATOM 303 C BILE A 43 84.760 16.069 34.554 0.50 18.50 C ATOM 304 O BILE A 43 84.817 15.751 33.360 0.50 16.55 O ATOM 305 CB BILE A 43 85.177 14.554 36.486 0.50 16.69 C ATOM 306 CG1BILE A 43 86.269 13.860 37.312 0.50 15.90 C ATOM 307 CG2BILE A 43 84.341 13.558 35.683 0.50 14.62 C ATOM 308 CD1BILE A 43 85.750 13.198 38.574 0.50 13.22 C ATOM 0 H BILE A 43 86.296 16.617 37.154 0.50 16.24 H new ATOM 0 HA BILE A 43 86.541 15.172 35.034 0.50 17.23 H new ATOM 0 HB BILE A 43 84.577 15.001 37.103 0.50 16.69 H new ATOM 0 HG12BILE A 43 86.704 13.191 36.761 0.50 15.90 H new ATOM 0 HG13BILE A 43 86.945 14.513 37.553 0.50 15.90 H new ATOM 0 HG21BILE A 43 83.937 12.914 36.286 0.50 14.62 H new ATOM 0 HG22BILE A 43 83.644 14.033 35.203 0.50 14.62 H new ATOM 0 HG23BILE A 43 84.910 13.094 35.050 0.50 14.62 H new ATOM 0 HD11BILE A 43 86.487 12.780 39.047 0.50 13.22 H new ATOM 0 HD12BILE A 43 85.338 13.866 39.144 0.50 13.22 H new ATOM 0 HD13BILE A 43 85.093 12.524 38.339 0.50 13.22 H new ATOM 309 N BSER A 44 83.782 16.829 35.042 0.50 17.77 N ATOM 310 CA BSER A 44 82.752 17.321 34.140 0.50 17.84 C ATOM 311 C BSER A 44 83.282 18.477 33.299 0.50 16.53 C ATOM 312 O BSER A 44 82.805 18.713 32.202 0.50 17.38 O ATOM 313 CB BSER A 44 81.478 17.711 34.909 0.50 17.21 C ATOM 314 OG BSER A 44 81.719 18.670 35.918 0.50 22.80 O ATOM 0 H BSER A 44 83.699 17.064 35.865 0.50 17.77 H new ATOM 0 HA BSER A 44 82.510 16.603 33.534 0.50 17.84 H new ATOM 0 HB2BSER A 44 80.823 18.062 34.285 0.50 17.21 H new ATOM 0 HB3BSER A 44 81.091 16.917 35.309 0.50 17.21 H new ATOM 0 HG BSER A 44 81.768 19.434 35.573 0.50 22.80 H new ATOM 315 N BGLY A 45 84.295 19.171 33.805 0.50 17.21 N ATOM 316 CA BGLY A 45 84.886 20.278 33.063 0.50 18.05 C ATOM 317 C BGLY A 45 85.578 19.805 31.792 0.50 18.59 C ATOM 318 O BGLY A 45 85.391 20.381 30.717 0.50 21.09 O ATOM 0 H BGLY A 45 84.653 19.018 34.572 0.50 17.21 H new ATOM 0 HA2BGLY A 45 84.195 20.919 32.835 0.50 18.05 H new ATOM 0 HA3BGLY A 45 85.526 20.739 33.627 0.50 18.05 H new ATOM 319 N BILE A 46 86.402 18.768 31.912 0.50 17.75 N ATOM 320 CA BILE A 46 87.091 18.204 30.757 0.50 17.29 C ATOM 321 C BILE A 46 86.032 17.625 29.819 0.50 16.67 C ATOM 322 O BILE A 46 86.114 17.773 28.597 0.50 17.54 O ATOM 323 CB BILE A 46 88.077 17.063 31.177 0.50 17.92 C ATOM 324 CG1BILE A 46 89.139 17.627 32.123 0.50 15.44 C ATOM 325 CG2BILE A 46 88.698 16.406 29.923 0.50 14.52 C ATOM 326 CD1BILE A 46 90.135 16.601 32.657 0.50 19.47 C ATOM 0 H BILE A 46 86.576 18.375 32.657 0.50 17.75 H new ATOM 0 HA BILE A 46 87.609 18.901 30.325 0.50 17.29 H new ATOM 0 HB BILE A 46 87.596 16.368 31.653 0.50 17.92 H new ATOM 0 HG12BILE A 46 89.630 18.323 31.659 0.50 15.44 H new ATOM 0 HG13BILE A 46 88.693 18.047 32.875 0.50 15.44 H new ATOM 0 HG21BILE A 46 89.307 15.701 30.195 0.50 14.52 H new ATOM 0 HG22BILE A 46 87.994 16.030 29.372 0.50 14.52 H new ATOM 0 HG23BILE A 46 89.184 17.074 29.414 0.50 14.52 H new ATOM 0 HD11BILE A 46 90.769 17.041 33.245 0.50 19.47 H new ATOM 0 HD12BILE A 46 89.659 15.914 33.150 0.50 19.47 H new ATOM 0 HD13BILE A 46 90.611 16.195 31.915 0.50 19.47 H new ATOM 327 N BALA A 47 85.028 16.970 30.390 0.50 16.29 N ATOM 328 CA BALA A 47 83.966 16.389 29.571 0.50 17.20 C ATOM 329 C BALA A 47 83.264 17.491 28.772 0.50 18.13 C ATOM 330 O BALA A 47 82.959 17.320 27.586 0.50 16.49 O ATOM 331 CB BALA A 47 82.965 15.651 30.450 0.50 18.14 C ATOM 0 H BALA A 47 84.941 16.851 31.237 0.50 16.29 H new ATOM 0 HA BALA A 47 84.357 15.753 28.952 0.50 17.20 H new ATOM 0 HB1BALA A 47 82.266 15.270 29.895 0.50 18.14 H new ATOM 0 HB2BALA A 47 83.418 14.941 30.931 0.50 18.14 H new ATOM 0 HB3BALA A 47 82.572 16.271 31.084 0.50 18.14 H new ATOM 332 N BALA A 48 83.022 18.632 29.415 0.50 16.93 N ATOM 333 CA BALA A 48 82.374 19.736 28.724 0.50 16.97 C ATOM 334 C BALA A 48 83.174 20.160 27.478 0.50 16.97 C ATOM 335 O BALA A 48 82.602 20.392 26.413 0.50 17.99 O ATOM 336 CB BALA A 48 82.204 20.922 29.673 0.50 17.33 C ATOM 0 H BALA A 48 83.222 18.783 30.238 0.50 16.93 H new ATOM 0 HA BALA A 48 81.499 19.437 28.430 0.50 16.97 H new ATOM 0 HB1BALA A 48 81.772 21.653 29.204 0.50 17.33 H new ATOM 0 HB2BALA A 48 81.658 20.656 30.429 0.50 17.33 H new ATOM 0 HB3BALA A 48 83.074 21.211 29.989 0.50 17.33 H new ATOM 337 N BVAL A 49 84.496 20.250 27.618 0.50 16.97 N ATOM 338 CA BVAL A 49 85.359 20.641 26.517 0.50 17.25 C ATOM 339 C BVAL A 49 85.283 19.615 25.390 0.50 18.43 C ATOM 340 O BVAL A 49 85.100 19.976 24.229 0.50 19.87 O ATOM 341 CB BVAL A 49 86.838 20.783 26.981 0.50 18.29 C ATOM 342 CG1BVAL A 49 87.748 21.056 25.773 0.50 18.43 C ATOM 343 CG2BVAL A 49 86.964 21.919 28.002 0.50 16.99 C ATOM 0 H BVAL A 49 84.912 20.086 28.353 0.50 16.97 H new ATOM 0 HA BVAL A 49 85.049 21.502 26.195 0.50 17.25 H new ATOM 0 HB BVAL A 49 87.115 19.953 27.400 0.50 18.29 H new ATOM 0 HG11BVAL A 49 88.666 21.143 26.073 0.50 18.43 H new ATOM 0 HG12BVAL A 49 87.681 20.320 25.145 0.50 18.43 H new ATOM 0 HG13BVAL A 49 87.471 21.878 25.338 0.50 18.43 H new ATOM 0 HG21BVAL A 49 87.888 21.999 28.285 0.50 16.99 H new ATOM 0 HG22BVAL A 49 86.677 22.752 27.597 0.50 16.99 H new ATOM 0 HG23BVAL A 49 86.407 21.726 28.772 0.50 16.99 H new ATOM 344 N BALA A 50 85.426 18.337 25.737 0.50 18.17 N ATOM 345 CA BALA A 50 85.365 17.269 24.750 0.50 18.76 C ATOM 346 C BALA A 50 84.042 17.362 23.977 0.50 18.06 C ATOM 347 O BALA A 50 84.006 17.180 22.755 0.50 18.49 O ATOM 348 CB BALA A 50 85.493 15.905 25.442 0.50 16.70 C ATOM 0 H BALA A 50 85.560 18.070 26.543 0.50 18.17 H new ATOM 0 HA BALA A 50 86.101 17.363 24.125 0.50 18.76 H new ATOM 0 HB1BALA A 50 85.451 15.200 24.777 0.50 16.70 H new ATOM 0 HB2BALA A 50 86.341 15.858 25.910 0.50 16.70 H new ATOM 0 HB3BALA A 50 84.767 15.794 26.076 0.50 16.70 H new ATOM 349 N BTYR A 51 82.956 17.643 24.688 0.50 15.97 N ATOM 350 CA BTYR A 51 81.661 17.768 24.031 0.50 17.76 C ATOM 351 C BTYR A 51 81.562 19.027 23.162 0.50 17.01 C ATOM 352 O BTYR A 51 80.944 18.997 22.104 0.50 16.41 O ATOM 353 CB BTYR A 51 80.523 17.689 25.061 0.50 17.25 C ATOM 354 CG BTYR A 51 80.106 16.251 25.272 0.50 19.66 C ATOM 355 CD1BTYR A 51 79.228 15.622 24.379 0.50 20.47 C ATOM 356 CD2BTYR A 51 80.663 15.482 26.293 0.50 18.31 C ATOM 357 CE1BTYR A 51 78.925 14.258 24.494 0.50 19.86 C ATOM 358 CE2BTYR A 51 80.359 14.119 26.417 0.50 17.98 C ATOM 359 CZ BTYR A 51 79.495 13.519 25.513 0.50 18.37 C ATOM 360 OH BTYR A 51 79.218 12.174 25.615 0.50 21.99 O ATOM 0 H BTYR A 51 82.946 17.764 25.539 0.50 15.97 H new ATOM 0 HA BTYR A 51 81.569 17.018 23.423 0.50 17.76 H new ATOM 0 HB2BTYR A 51 80.812 18.075 25.902 0.50 17.25 H new ATOM 0 HB3BTYR A 51 79.765 18.211 24.755 0.50 17.25 H new ATOM 0 HD1BTYR A 51 78.839 16.119 23.696 0.50 20.47 H new ATOM 0 HD2BTYR A 51 81.245 15.879 26.901 0.50 18.31 H new ATOM 0 HE1BTYR A 51 78.345 13.854 23.889 0.50 19.86 H new ATOM 0 HE2BTYR A 51 80.736 13.618 27.104 0.50 17.98 H new ATOM 0 HH BTYR A 51 79.890 11.772 25.918 0.50 21.99 H new ATOM 361 N BVAL A 52 82.180 20.122 23.592 0.50 16.63 N ATOM 362 CA BVAL A 52 82.171 21.332 22.770 0.50 16.53 C ATOM 363 C BVAL A 52 82.984 21.016 21.505 0.50 17.40 C ATOM 364 O BVAL A 52 82.555 21.312 20.386 0.50 17.86 O ATOM 365 CB BVAL A 52 82.814 22.526 23.512 0.50 17.55 C ATOM 366 CG1BVAL A 52 83.137 23.654 22.523 0.50 17.39 C ATOM 367 CG2BVAL A 52 81.860 23.034 24.602 0.50 14.86 C ATOM 0 H BVAL A 52 82.602 20.188 24.339 0.50 16.63 H new ATOM 0 HA BVAL A 52 81.258 21.582 22.560 0.50 16.53 H new ATOM 0 HB BVAL A 52 83.641 22.233 23.926 0.50 17.55 H new ATOM 0 HG11BVAL A 52 83.540 24.397 22.999 0.50 17.39 H new ATOM 0 HG12BVAL A 52 83.756 23.328 21.851 0.50 17.39 H new ATOM 0 HG13BVAL A 52 82.320 23.951 22.093 0.50 17.39 H new ATOM 0 HG21BVAL A 52 82.267 23.783 25.065 0.50 14.86 H new ATOM 0 HG22BVAL A 52 81.027 23.320 24.196 0.50 14.86 H new ATOM 0 HG23BVAL A 52 81.683 22.321 25.235 0.50 14.86 H new ATOM 368 N BVAL A 53 84.151 20.398 21.683 0.50 16.85 N ATOM 369 CA BVAL A 53 84.982 20.037 20.544 0.50 18.85 C ATOM 370 C BVAL A 53 84.197 19.186 19.527 0.50 19.36 C ATOM 371 O BVAL A 53 84.290 19.408 18.314 0.50 19.37 O ATOM 372 CB BVAL A 53 86.250 19.265 20.994 0.50 20.16 C ATOM 373 CG1BVAL A 53 86.972 18.682 19.780 0.50 19.63 C ATOM 374 CG2BVAL A 53 87.189 20.203 21.754 0.50 21.24 C ATOM 0 H BVAL A 53 84.475 20.182 22.450 0.50 16.85 H new ATOM 0 HA BVAL A 53 85.254 20.865 20.118 0.50 18.85 H new ATOM 0 HB BVAL A 53 85.982 18.539 21.579 0.50 20.16 H new ATOM 0 HG11BVAL A 53 87.762 18.202 20.073 0.50 19.63 H new ATOM 0 HG12BVAL A 53 86.379 18.073 19.312 0.50 19.63 H new ATOM 0 HG13BVAL A 53 87.233 19.400 19.183 0.50 19.63 H new ATOM 0 HG21BVAL A 53 87.979 19.714 22.032 0.50 21.24 H new ATOM 0 HG22BVAL A 53 87.450 20.937 21.177 0.50 21.24 H new ATOM 0 HG23BVAL A 53 86.734 20.553 22.536 0.50 21.24 H new ATOM 375 N BMET A 54 83.418 18.221 20.010 0.50 17.98 N ATOM 376 CA BMET A 54 82.656 17.387 19.088 0.50 17.92 C ATOM 377 C BMET A 54 81.522 18.198 18.460 0.50 18.45 C ATOM 378 O BMET A 54 81.276 18.088 17.265 0.50 17.96 O ATOM 379 CB BMET A 54 82.125 16.136 19.803 0.50 16.18 C ATOM 380 CG BMET A 54 83.259 15.225 20.323 0.50 14.09 C ATOM 381 SD BMET A 54 82.711 13.586 20.872 0.50 18.00 S ATOM 382 CE BMET A 54 82.223 13.895 22.513 0.50 11.61 C ATOM 0 H BMET A 54 83.318 18.037 20.844 0.50 17.98 H new ATOM 0 HA BMET A 54 83.242 17.089 18.375 0.50 17.92 H new ATOM 0 HB2BMET A 54 81.564 16.406 20.547 0.50 16.18 H new ATOM 0 HB3BMET A 54 81.564 15.632 19.193 0.50 16.18 H new ATOM 0 HG2BMET A 54 83.918 15.115 19.620 0.50 14.09 H new ATOM 0 HG3BMET A 54 83.703 15.670 21.062 0.50 14.09 H new ATOM 0 HE1BMET A 54 81.905 13.072 22.916 0.50 11.61 H new ATOM 0 HE2BMET A 54 82.980 14.231 23.018 0.50 11.61 H new ATOM 0 HE3BMET A 54 81.512 14.555 22.521 0.50 11.61 H new ATOM 383 N BALA A 55 80.842 19.018 19.258 0.50 17.68 N ATOM 384 CA BALA A 55 79.770 19.860 18.721 0.50 19.90 C ATOM 385 C BALA A 55 80.311 20.703 17.552 0.50 20.02 C ATOM 386 O BALA A 55 79.641 20.879 16.533 0.50 20.97 O ATOM 387 CB BALA A 55 79.227 20.768 19.806 0.50 18.72 C ATOM 0 H BALA A 55 80.981 19.103 20.102 0.50 17.68 H new ATOM 0 HA BALA A 55 79.051 19.293 18.401 0.50 19.90 H new ATOM 0 HB1BALA A 55 78.519 21.321 19.441 0.50 18.72 H new ATOM 0 HB2BALA A 55 78.875 20.230 20.532 0.50 18.72 H new ATOM 0 HB3BALA A 55 79.939 21.335 20.140 0.50 18.72 H new ATOM 388 N BLEU A 56 81.531 21.205 17.708 0.50 19.99 N ATOM 389 CA BLEU A 56 82.184 22.012 16.683 0.50 20.98 C ATOM 390 C BLEU A 56 82.648 21.176 15.498 0.50 21.56 C ATOM 391 O BLEU A 56 83.255 21.705 14.571 0.50 22.50 O ATOM 392 CB BLEU A 56 83.385 22.768 17.276 0.50 16.91 C ATOM 393 CG BLEU A 56 83.036 23.952 18.176 0.50 18.98 C ATOM 394 CD1BLEU A 56 84.272 24.462 18.911 0.50 20.51 C ATOM 395 CD2BLEU A 56 82.406 25.062 17.317 0.50 21.07 C ATOM 0 H BLEU A 56 82.006 21.087 18.415 0.50 19.99 H new ATOM 0 HA BLEU A 56 81.523 22.645 16.362 0.50 20.98 H new ATOM 0 HB2BLEU A 56 83.922 22.141 17.786 0.50 16.91 H new ATOM 0 HB3BLEU A 56 83.938 23.088 16.546 0.50 16.91 H new ATOM 0 HG BLEU A 56 82.399 23.668 18.850 0.50 18.98 H new ATOM 0 HD11BLEU A 56 84.027 25.212 19.475 0.50 20.51 H new ATOM 0 HD12BLEU A 56 84.638 23.751 19.460 0.50 20.51 H new ATOM 0 HD13BLEU A 56 84.938 24.747 18.266 0.50 20.51 H new ATOM 0 HD21BLEU A 56 82.181 25.819 17.880 0.50 21.07 H new ATOM 0 HD22BLEU A 56 83.038 25.343 16.636 0.50 21.07 H new ATOM 0 HD23BLEU A 56 81.602 24.725 16.892 0.50 21.07 H new ATOM 396 N BGLY A 57 82.370 19.874 15.533 0.50 22.22 N ATOM 397 CA BGLY A 57 82.768 18.995 14.441 0.50 21.57 C ATOM 398 C BGLY A 57 84.259 18.723 14.382 0.50 22.96 C ATOM 399 O BGLY A 57 84.822 18.438 13.317 0.50 23.21 O ATOM 0 H BGLY A 57 81.954 19.484 16.177 0.50 22.22 H new ATOM 0 HA2BGLY A 57 82.298 18.151 14.529 0.50 21.57 H new ATOM 0 HA3BGLY A 57 82.487 19.390 13.601 0.50 21.57 H new ATOM 400 N BVAL A 58 84.921 18.806 15.528 0.50 22.07 N ATOM 401 CA BVAL A 58 86.354 18.560 15.556 0.50 21.34 C ATOM 402 C BVAL A 58 86.623 17.183 16.147 0.50 22.57 C ATOM 403 O BVAL A 58 86.032 16.815 17.159 0.50 23.75 O ATOM 404 CB BVAL A 58 87.069 19.671 16.364 0.50 21.81 C ATOM 405 CG1BVAL A 58 88.576 19.431 16.407 0.50 20.15 C ATOM 406 CG2BVAL A 58 86.782 21.013 15.723 0.50 20.38 C ATOM 0 H BVAL A 58 84.567 19.000 16.287 0.50 22.07 H new ATOM 0 HA BVAL A 58 86.706 18.578 14.652 0.50 21.34 H new ATOM 0 HB BVAL A 58 86.735 19.660 17.275 0.50 21.81 H new ATOM 0 HG11BVAL A 58 89.002 20.138 16.917 0.50 20.15 H new ATOM 0 HG12BVAL A 58 88.756 18.576 16.828 0.50 20.15 H new ATOM 0 HG13BVAL A 58 88.929 19.427 15.504 0.50 20.15 H new ATOM 0 HG21BVAL A 58 87.227 21.713 16.225 0.50 20.38 H new ATOM 0 HG22BVAL A 58 87.109 21.012 14.810 0.50 20.38 H new ATOM 0 HG23BVAL A 58 85.825 21.174 15.723 0.50 20.38 H new ATOM 407 N BGLY A 59 87.494 16.417 15.489 0.50 23.33 N ATOM 408 CA BGLY A 59 87.829 15.080 15.952 0.50 22.67 C ATOM 409 C BGLY A 59 86.946 13.948 15.439 0.50 23.37 C ATOM 410 O BGLY A 59 86.810 12.916 16.089 0.50 23.46 O ATOM 0 H BGLY A 59 87.901 16.658 14.771 0.50 23.33 H new ATOM 0 HA2BGLY A 59 88.746 14.890 15.698 0.50 22.67 H new ATOM 0 HA3BGLY A 59 87.797 15.076 16.921 0.50 22.67 H new ATOM 411 N BTRP A 60 86.329 14.130 14.281 0.50 23.22 N ATOM 412 CA BTRP A 60 85.498 13.083 13.712 0.50 23.41 C ATOM 413 C BTRP A 60 86.418 12.336 12.751 0.50 24.67 C ATOM 414 O BTRP A 60 86.474 12.650 11.565 0.50 26.45 O ATOM 415 CB BTRP A 60 84.328 13.683 12.937 0.50 21.61 C ATOM 416 CG BTRP A 60 83.317 14.433 13.754 0.50 21.91 C ATOM 417 CD1BTRP A 60 83.520 15.104 14.932 0.50 19.95 C ATOM 418 CD2BTRP A 60 81.952 14.676 13.387 0.50 22.89 C ATOM 419 NE1BTRP A 60 82.367 15.749 15.315 0.50 18.52 N ATOM 420 CE2BTRP A 60 81.390 15.505 14.384 0.50 21.09 C ATOM 421 CE3BTRP A 60 81.149 14.274 12.303 0.50 22.40 C ATOM 422 CZ2BTRP A 60 80.059 15.943 14.331 0.50 21.26 C ATOM 423 CZ3BTRP A 60 79.821 14.712 12.252 0.50 22.10 C ATOM 424 CH2BTRP A 60 79.294 15.539 13.262 0.50 21.73 C ATOM 0 H BTRP A 60 86.378 14.849 13.811 0.50 23.22 H new ATOM 0 HA BTRP A 60 85.122 12.509 14.398 0.50 23.41 H new ATOM 0 HB2BTRP A 60 84.683 14.283 12.263 0.50 21.61 H new ATOM 0 HB3BTRP A 60 83.872 12.967 12.468 0.50 21.61 H new ATOM 0 HD1BTRP A 60 84.321 15.121 15.404 0.50 19.95 H new ATOM 0 HE1BTRP A 60 82.274 16.228 16.023 0.50 18.52 H new ATOM 0 HE3BTRP A 60 81.494 13.728 11.634 0.50 22.40 H new ATOM 0 HZ2BTRP A 60 79.706 16.488 14.996 0.50 21.26 H new ATOM 0 HZ3BTRP A 60 79.279 14.453 11.542 0.50 22.10 H new ATOM 0 HH2BTRP A 60 78.409 15.818 13.205 0.50 21.73 H new ATOM 425 N BVAL A 61 87.133 11.343 13.272 0.50 25.95 N ATOM 426 CA BVAL A 61 88.092 10.576 12.485 0.50 24.55 C ATOM 427 C BVAL A 61 87.511 9.393 11.715 0.50 23.96 C ATOM 428 O BVAL A 61 86.925 8.486 12.302 0.50 23.64 O ATOM 429 CB BVAL A 61 89.239 10.069 13.388 0.50 25.85 C ATOM 430 CG1BVAL A 61 90.309 9.362 12.541 0.50 23.99 C ATOM 431 CG2BVAL A 61 89.844 11.241 14.148 0.50 27.11 C ATOM 0 H BVAL A 61 87.075 11.095 14.093 0.50 25.95 H new ATOM 0 HA BVAL A 61 88.412 11.200 11.815 0.50 24.55 H new ATOM 0 HB BVAL A 61 88.887 9.429 14.026 0.50 25.85 H new ATOM 0 HG11BVAL A 61 91.023 9.048 13.118 0.50 23.99 H new ATOM 0 HG12BVAL A 61 89.911 8.607 12.080 0.50 23.99 H new ATOM 0 HG13BVAL A 61 90.669 9.984 11.890 0.50 23.99 H new ATOM 0 HG21BVAL A 61 90.564 10.922 14.715 0.50 27.11 H new ATOM 0 HG22BVAL A 61 90.193 11.890 13.517 0.50 27.11 H new ATOM 0 HG23BVAL A 61 89.161 11.658 14.697 0.50 27.11 H new ATOM 432 N BPRO A 62 87.676 9.392 10.380 0.50 23.53 N ATOM 433 CA BPRO A 62 87.173 8.319 9.515 0.50 23.78 C ATOM 434 C BPRO A 62 88.062 7.077 9.592 0.50 23.30 C ATOM 435 O BPRO A 62 89.251 7.148 9.304 0.50 24.79 O ATOM 436 CB BPRO A 62 87.199 8.945 8.116 0.50 23.44 C ATOM 437 CG BPRO A 62 87.221 10.443 8.384 0.50 25.66 C ATOM 438 CD BPRO A 62 88.129 10.539 9.573 0.50 24.40 C ATOM 0 HA BPRO A 62 86.289 8.011 9.771 0.50 23.78 H new ATOM 0 HB2BPRO A 62 87.980 8.662 7.615 0.50 23.44 H new ATOM 0 HB3BPRO A 62 86.421 8.688 7.597 0.50 23.44 H new ATOM 0 HG2BPRO A 62 87.563 10.942 7.626 0.50 25.66 H new ATOM 0 HG3BPRO A 62 86.336 10.790 8.575 0.50 25.66 H new ATOM 0 HD2BPRO A 62 89.064 10.465 9.326 0.50 24.40 H new ATOM 0 HD3BPRO A 62 88.026 11.381 10.044 0.50 24.40 H new ATOM 439 N BVAL A 63 87.483 5.949 9.986 0.50 22.43 N ATOM 440 CA BVAL A 63 88.233 4.702 10.080 0.50 26.82 C ATOM 441 C BVAL A 63 87.487 3.524 9.452 0.50 29.33 C ATOM 442 O BVAL A 63 86.513 3.005 10.017 0.50 29.16 O ATOM 443 CB BVAL A 63 88.565 4.323 11.555 0.50 27.14 C ATOM 444 CG1BVAL A 63 89.326 3.005 11.586 0.50 27.45 C ATOM 445 CG2BVAL A 63 89.405 5.421 12.214 0.50 26.03 C ATOM 0 H BVAL A 63 86.654 5.884 10.204 0.50 22.43 H new ATOM 0 HA BVAL A 63 89.054 4.867 9.590 0.50 26.82 H new ATOM 0 HB BVAL A 63 87.735 4.229 12.048 0.50 27.14 H new ATOM 0 HG11BVAL A 63 89.531 2.771 12.505 0.50 27.45 H new ATOM 0 HG12BVAL A 63 88.781 2.307 11.189 0.50 27.45 H new ATOM 0 HG13BVAL A 63 90.151 3.095 11.084 0.50 27.45 H new ATOM 0 HG21BVAL A 63 89.603 5.171 13.130 0.50 26.03 H new ATOM 0 HG22BVAL A 63 90.234 5.533 11.723 0.50 26.03 H new ATOM 0 HG23BVAL A 63 88.910 6.255 12.207 0.50 26.03 H new ATOM 446 N BALA A 64 87.955 3.116 8.277 0.50 30.22 N ATOM 447 CA BALA A 64 87.390 1.986 7.551 0.50 31.75 C ATOM 448 C BALA A 64 85.883 1.775 7.661 0.50 31.66 C ATOM 449 O BALA A 64 85.442 0.854 8.344 0.50 34.83 O ATOM 450 CB BALA A 64 88.107 0.709 7.977 0.50 32.68 C ATOM 0 H BALA A 64 88.616 3.492 7.875 0.50 30.22 H new ATOM 0 HA BALA A 64 87.533 2.206 6.617 0.50 31.75 H new ATOM 0 HB1BALA A 64 87.735 -0.047 7.497 0.50 32.68 H new ATOM 0 HB2BALA A 64 89.053 0.786 7.775 0.50 32.68 H new ATOM 0 HB3BALA A 64 87.990 0.575 8.931 0.50 32.68 H new ATOM 451 N BGLU A 65 85.106 2.620 6.991 0.50 30.27 N ATOM 452 CA BGLU A 65 83.647 2.505 6.968 0.50 31.06 C ATOM 453 C BGLU A 65 82.858 3.082 8.148 0.50 31.00 C ATOM 454 O BGLU A 65 81.635 2.934 8.218 0.50 32.44 O ATOM 455 CB BGLU A 65 83.262 1.037 6.688 0.50 32.97 C ATOM 456 CG BGLU A 65 83.702 0.612 5.268 0.50 34.90 C ATOM 457 CD BGLU A 65 83.831 -0.900 5.036 0.50 36.15 C ATOM 458 OE1BGLU A 65 84.461 -1.614 5.860 0.50 34.31 O ATOM 459 OE2BGLU A 65 83.318 -1.368 3.994 0.50 36.60 O ATOM 0 H BGLU A 65 85.410 3.281 6.533 0.50 30.27 H new ATOM 0 HA BGLU A 65 83.371 3.095 6.249 0.50 31.06 H new ATOM 0 HB2BGLU A 65 83.678 0.459 7.346 0.50 32.97 H new ATOM 0 HB3BGLU A 65 82.303 0.927 6.780 0.50 32.97 H new ATOM 0 HG2BGLU A 65 83.064 0.967 4.630 0.50 34.90 H new ATOM 0 HG3BGLU A 65 84.557 1.026 5.075 0.50 34.90 H new ATOM 460 N BARG A 66 83.543 3.751 9.071 0.50 29.45 N ATOM 461 CA BARG A 66 82.856 4.393 10.189 0.50 28.03 C ATOM 462 C BARG A 66 83.635 5.599 10.689 0.50 25.33 C ATOM 463 O BARG A 66 84.807 5.753 10.368 0.50 24.78 O ATOM 464 CB BARG A 66 82.604 3.401 11.323 0.50 29.21 C ATOM 465 CG BARG A 66 83.796 2.607 11.759 0.50 32.03 C ATOM 466 CD BARG A 66 83.316 1.231 12.143 0.50 36.15 C ATOM 467 NE BARG A 66 82.408 0.700 11.125 0.50 36.67 N ATOM 468 CZ BARG A 66 81.656 -0.381 11.276 0.50 34.45 C ATOM 469 NH1BARG A 66 81.689 -1.063 12.412 0.50 36.59 N ATOM 470 NH2BARG A 66 80.877 -0.783 10.284 0.50 35.63 N ATOM 0 H BARG A 66 84.398 3.845 9.070 0.50 29.45 H new ATOM 0 HA BARG A 66 81.995 4.704 9.867 0.50 28.03 H new ATOM 0 HB2BARG A 66 82.262 3.888 12.089 0.50 29.21 H new ATOM 0 HB3BARG A 66 81.908 2.785 11.045 0.50 29.21 H new ATOM 0 HG2BARG A 66 84.448 2.552 11.043 0.50 32.03 H new ATOM 0 HG3BARG A 66 84.234 3.036 12.510 0.50 32.03 H new ATOM 0 HD2BARG A 66 84.075 0.636 12.249 0.50 36.15 H new ATOM 0 HD3BARG A 66 82.863 1.268 13.000 0.50 36.15 H new ATOM 0 HE BARG A 66 82.359 1.119 10.376 0.50 36.67 H new ATOM 0 HH11BARG A 66 82.199 -0.805 13.054 0.50 36.59 H new ATOM 0 HH12BARG A 66 81.200 -1.764 12.507 0.50 36.59 H new ATOM 0 HH21BARG A 66 80.860 -0.343 9.545 0.50 35.63 H new ATOM 0 HH22BARG A 66 80.388 -1.484 10.378 0.50 35.63 H new ATOM 471 N BTHR A 67 82.978 6.467 11.450 0.50 24.01 N ATOM 472 CA BTHR A 67 83.635 7.656 11.978 0.50 24.12 C ATOM 473 C BTHR A 67 83.876 7.519 13.472 0.50 22.86 C ATOM 474 O BTHR A 67 82.974 7.180 14.229 0.50 21.77 O ATOM 475 CB BTHR A 67 82.793 8.924 11.736 0.50 25.72 C ATOM 476 OG1BTHR A 67 81.566 8.824 12.471 0.50 31.14 O ATOM 477 CG2BTHR A 67 82.484 9.084 10.263 0.50 24.46 C ATOM 0 H BTHR A 67 82.151 6.386 11.672 0.50 24.01 H new ATOM 0 HA BTHR A 67 84.481 7.740 11.510 0.50 24.12 H new ATOM 0 HB BTHR A 67 83.298 9.697 12.034 0.50 25.72 H new ATOM 0 HG1BTHR A 67 81.694 8.377 13.171 0.50 31.14 H new ATOM 0 HG21BTHR A 67 81.954 9.885 10.128 0.50 24.46 H new ATOM 0 HG22BTHR A 67 83.313 9.157 9.764 0.50 24.46 H new ATOM 0 HG23BTHR A 67 81.986 8.312 9.951 0.50 24.46 H new ATOM 478 N BVAL A 68 85.101 7.799 13.893 0.50 21.63 N ATOM 479 CA BVAL A 68 85.468 7.699 15.297 0.50 22.09 C ATOM 480 C BVAL A 68 85.597 9.055 15.971 0.50 21.29 C ATOM 481 O BVAL A 68 86.453 9.857 15.594 0.50 23.13 O ATOM 482 CB BVAL A 68 86.806 6.940 15.460 0.50 20.89 C ATOM 483 CG1BVAL A 68 87.231 6.935 16.893 0.50 22.80 C ATOM 484 CG2BVAL A 68 86.660 5.535 14.945 0.50 18.95 C ATOM 0 H BVAL A 68 85.740 8.051 13.376 0.50 21.63 H new ATOM 0 HA BVAL A 68 84.747 7.213 15.727 0.50 22.09 H new ATOM 0 HB BVAL A 68 87.491 7.392 14.943 0.50 20.89 H new ATOM 0 HG11BVAL A 68 88.070 6.456 16.980 0.50 22.80 H new ATOM 0 HG12BVAL A 68 87.347 7.848 17.200 0.50 22.80 H new ATOM 0 HG13BVAL A 68 86.552 6.497 17.430 0.50 22.80 H new ATOM 0 HG21BVAL A 68 87.501 5.063 15.049 0.50 18.95 H new ATOM 0 HG22BVAL A 68 85.968 5.076 15.447 0.50 18.95 H new ATOM 0 HG23BVAL A 68 86.417 5.558 14.006 0.50 18.95 H new ATOM 485 N BPHE A 69 84.760 9.290 16.983 0.50 17.06 N ATOM 486 CA BPHE A 69 84.774 10.543 17.733 0.50 17.77 C ATOM 487 C BPHE A 69 85.912 10.470 18.737 0.50 17.65 C ATOM 488 O BPHE A 69 85.726 10.082 19.898 0.50 18.10 O ATOM 489 CB BPHE A 69 83.425 10.748 18.445 0.50 16.68 C ATOM 490 CG BPHE A 69 82.252 10.765 17.499 0.50 17.45 C ATOM 491 CD1BPHE A 69 82.116 11.786 16.563 0.50 16.40 C ATOM 492 CD2BPHE A 69 81.330 9.721 17.493 0.50 16.72 C ATOM 493 CE1BPHE A 69 81.084 11.769 15.628 0.50 15.96 C ATOM 494 CE2BPHE A 69 80.297 9.690 16.568 0.50 16.76 C ATOM 495 CZ BPHE A 69 80.171 10.717 15.629 0.50 16.91 C ATOM 0 H BPHE A 69 84.169 8.726 17.252 0.50 17.06 H new ATOM 0 HA BPHE A 69 84.908 11.297 17.138 0.50 17.77 H new ATOM 0 HB2BPHE A 69 83.298 10.040 19.096 0.50 16.68 H new ATOM 0 HB3BPHE A 69 83.449 11.584 18.937 0.50 16.68 H new ATOM 0 HD1BPHE A 69 82.723 12.490 16.562 0.50 16.40 H new ATOM 0 HD2BPHE A 69 81.408 9.036 18.117 0.50 16.72 H new ATOM 0 HE1BPHE A 69 81.005 12.456 15.006 0.50 15.96 H new ATOM 0 HE2BPHE A 69 79.689 8.986 16.573 0.50 16.76 H new ATOM 0 HZ BPHE A 69 79.480 10.698 15.007 0.50 16.91 H new ATOM 496 N BALA A 70 87.099 10.828 18.268 0.50 16.37 N ATOM 497 CA BALA A 70 88.294 10.785 19.084 0.50 16.51 C ATOM 498 C BALA A 70 88.170 11.505 20.424 0.50 16.63 C ATOM 499 O BALA A 70 88.683 11.023 21.428 0.50 16.01 O ATOM 500 CB BALA A 70 89.476 11.346 18.294 0.50 16.78 C ATOM 0 H BALA A 70 87.231 11.103 17.464 0.50 16.37 H new ATOM 0 HA BALA A 70 88.437 9.851 19.302 0.50 16.51 H new ATOM 0 HB1BALA A 70 90.275 11.316 18.843 0.50 16.78 H new ATOM 0 HB2BALA A 70 89.613 10.814 17.495 0.50 16.78 H new ATOM 0 HB3BALA A 70 89.291 12.264 18.043 0.50 16.78 H new ATOM 501 N BPRO A 71 87.475 12.660 20.463 0.50 16.27 N ATOM 502 CA BPRO A 71 87.352 13.375 21.739 0.50 15.84 C ATOM 503 C BPRO A 71 86.607 12.592 22.821 0.50 14.12 C ATOM 504 O BPRO A 71 86.825 12.813 24.010 0.50 12.11 O ATOM 505 CB BPRO A 71 86.635 14.672 21.349 0.50 14.05 C ATOM 506 CG BPRO A 71 86.948 14.828 19.879 0.50 15.25 C ATOM 507 CD BPRO A 71 86.809 13.413 19.386 0.50 14.48 C ATOM 0 HA BPRO A 71 88.216 13.527 22.152 0.50 15.84 H new ATOM 0 HB2BPRO A 71 85.680 14.612 21.505 0.50 14.05 H new ATOM 0 HB3BPRO A 71 86.959 15.427 21.864 0.50 14.05 H new ATOM 0 HG2BPRO A 71 86.329 15.430 19.437 0.50 15.25 H new ATOM 0 HG3BPRO A 71 87.840 15.179 19.732 0.50 15.25 H new ATOM 0 HD2BPRO A 71 85.881 13.153 19.279 0.50 14.48 H new ATOM 0 HD3BPRO A 71 87.241 13.281 18.528 0.50 14.48 H new ATOM 508 N BARG A 72 85.728 11.686 22.403 0.50 14.30 N ATOM 509 CA BARG A 72 84.974 10.860 23.341 0.50 14.40 C ATOM 510 C BARG A 72 85.941 9.971 24.132 0.50 16.53 C ATOM 511 O BARG A 72 85.831 9.856 25.362 0.50 13.03 O ATOM 512 CB BARG A 72 83.973 9.968 22.587 0.50 14.15 C ATOM 513 CG BARG A 72 83.365 8.840 23.428 0.50 16.87 C ATOM 514 CD BARG A 72 82.604 7.795 22.567 0.50 17.89 C ATOM 515 NE BARG A 72 81.398 8.315 21.923 0.50 16.61 N ATOM 516 CZ BARG A 72 80.688 7.658 21.003 0.50 17.23 C ATOM 517 NH1BARG A 72 81.052 6.444 20.609 0.50 19.78 N ATOM 518 NH2BARG A 72 79.613 8.213 20.461 0.50 14.82 N ATOM 0 H BARG A 72 85.553 11.533 21.575 0.50 14.30 H new ATOM 0 HA BARG A 72 84.487 11.442 23.946 0.50 14.40 H new ATOM 0 HB2BARG A 72 83.255 10.524 22.246 0.50 14.15 H new ATOM 0 HB3BARG A 72 84.419 9.578 21.819 0.50 14.15 H new ATOM 0 HG2BARG A 72 84.070 8.394 23.923 0.50 16.87 H new ATOM 0 HG3BARG A 72 82.757 9.220 24.081 0.50 16.87 H new ATOM 0 HD2BARG A 72 83.203 7.456 21.884 0.50 17.89 H new ATOM 0 HD3BARG A 72 82.360 7.043 23.129 0.50 17.89 H new ATOM 0 HE BARG A 72 81.128 9.098 22.153 0.50 16.61 H new ATOM 0 HH11BARG A 72 81.751 6.074 20.947 0.50 19.78 H new ATOM 0 HH12BARG A 72 80.589 6.028 20.016 0.50 19.78 H new ATOM 0 HH21BARG A 72 79.369 9.002 20.702 0.50 14.82 H new ATOM 0 HH22BARG A 72 79.160 7.784 19.869 0.50 14.82 H new ATOM 519 N BTYR A 73 86.870 9.337 23.408 0.50 15.01 N ATOM 520 CA BTYR A 73 87.850 8.434 24.006 0.50 17.18 C ATOM 521 C BTYR A 73 88.900 9.195 24.801 0.50 16.50 C ATOM 522 O BTYR A 73 89.304 8.755 25.889 0.50 15.60 O ATOM 523 CB BTYR A 73 88.502 7.572 22.912 0.50 16.64 C ATOM 524 CG BTYR A 73 87.477 6.725 22.200 0.50 18.58 C ATOM 525 CD1BTYR A 73 86.841 5.666 22.861 0.50 21.27 C ATOM 526 CD2BTYR A 73 87.042 7.058 20.919 0.50 17.66 C ATOM 527 CE1BTYR A 73 85.778 4.969 22.263 0.50 21.78 C ATOM 528 CE2BTYR A 73 85.987 6.373 20.314 0.50 20.72 C ATOM 529 CZ BTYR A 73 85.353 5.336 20.990 0.50 22.70 C ATOM 530 OH BTYR A 73 84.265 4.710 20.410 0.50 22.41 O ATOM 0 H BTYR A 73 86.946 9.421 22.556 0.50 15.01 H new ATOM 0 HA BTYR A 73 87.388 7.852 24.630 0.50 17.18 H new ATOM 0 HB2BTYR A 73 88.953 8.144 22.272 0.50 16.64 H new ATOM 0 HB3BTYR A 73 89.179 7.001 23.308 0.50 16.64 H new ATOM 0 HD1BTYR A 73 87.128 5.420 23.711 0.50 21.27 H new ATOM 0 HD2BTYR A 73 87.462 7.749 20.459 0.50 17.66 H new ATOM 0 HE1BTYR A 73 85.363 4.269 22.713 0.50 21.78 H new ATOM 0 HE2BTYR A 73 85.708 6.610 19.459 0.50 20.72 H new ATOM 0 HH BTYR A 73 84.128 5.035 19.648 0.50 22.41 H new ATOM 531 N BILE A 74 89.323 10.339 24.260 0.50 13.77 N ATOM 532 CA BILE A 74 90.303 11.190 24.922 0.50 15.07 C ATOM 533 C BILE A 74 89.739 11.634 26.275 0.50 15.36 C ATOM 534 O BILE A 74 90.449 11.659 27.284 0.50 15.44 O ATOM 535 CB BILE A 74 90.618 12.427 24.055 0.50 17.02 C ATOM 536 CG1BILE A 74 91.281 11.967 22.744 0.50 18.46 C ATOM 537 CG2BILE A 74 91.516 13.412 24.818 0.50 15.52 C ATOM 538 CD1BILE A 74 92.467 11.074 22.957 0.50 20.32 C ATOM 0 H BILE A 74 89.049 10.639 23.502 0.50 13.77 H new ATOM 0 HA BILE A 74 91.125 10.692 25.052 0.50 15.07 H new ATOM 0 HB BILE A 74 89.794 12.893 23.845 0.50 17.02 H new ATOM 0 HG12BILE A 74 90.625 11.499 22.205 0.50 18.46 H new ATOM 0 HG13BILE A 74 91.559 12.747 22.239 0.50 18.46 H new ATOM 0 HG21BILE A 74 91.702 14.181 24.257 0.50 15.52 H new ATOM 0 HG22BILE A 74 91.064 13.703 25.626 0.50 15.52 H new ATOM 0 HG23BILE A 74 92.349 12.975 25.054 0.50 15.52 H new ATOM 0 HD11BILE A 74 92.839 10.819 22.098 0.50 20.32 H new ATOM 0 HD12BILE A 74 93.139 11.546 23.473 0.50 20.32 H new ATOM 0 HD13BILE A 74 92.191 10.278 23.438 0.50 20.32 H new ATOM 539 N BASP A 75 88.456 11.985 26.277 0.50 15.72 N ATOM 540 CA BASP A 75 87.751 12.407 27.486 0.50 16.35 C ATOM 541 C BASP A 75 87.871 11.295 28.537 0.50 17.05 C ATOM 542 O BASP A 75 88.361 11.533 29.648 0.50 19.69 O ATOM 543 CB BASP A 75 86.280 12.674 27.132 0.50 18.82 C ATOM 544 CG BASP A 75 85.431 13.104 28.333 0.50 21.96 C ATOM 545 OD1BASP A 75 85.919 13.862 29.198 0.50 24.35 O ATOM 546 OD2BASP A 75 84.248 12.702 28.397 0.50 22.29 O ATOM 0 H BASP A 75 87.965 11.985 25.571 0.50 15.72 H new ATOM 0 HA BASP A 75 88.136 13.221 27.847 0.50 16.35 H new ATOM 0 HB2BASP A 75 86.239 13.364 26.452 0.50 18.82 H new ATOM 0 HB3BASP A 75 85.897 11.871 26.745 0.50 18.82 H new ATOM 547 N BTRP A 76 87.455 10.079 28.178 0.50 13.81 N ATOM 548 CA BTRP A 76 87.505 8.956 29.114 0.50 14.57 C ATOM 549 C BTRP A 76 88.893 8.757 29.719 0.50 13.26 C ATOM 550 O BTRP A 76 89.038 8.608 30.930 0.50 13.61 O ATOM 551 CB BTRP A 76 87.062 7.650 28.436 0.50 13.41 C ATOM 552 CG BTRP A 76 85.653 7.663 27.887 0.50 14.15 C ATOM 553 CD1BTRP A 76 84.674 8.592 28.131 0.50 15.46 C ATOM 554 CD2BTRP A 76 85.085 6.715 26.976 0.50 13.75 C ATOM 555 NE1BTRP A 76 83.533 8.280 27.421 0.50 14.48 N ATOM 556 CE2BTRP A 76 83.759 7.135 26.702 0.50 15.07 C ATOM 557 CE3BTRP A 76 85.568 5.552 26.360 0.50 13.62 C ATOM 558 CZ2BTRP A 76 82.913 6.437 25.837 0.50 15.65 C ATOM 559 CZ3BTRP A 76 84.727 4.855 25.496 0.50 17.23 C ATOM 560 CH2BTRP A 76 83.412 5.303 25.241 0.50 16.24 C ATOM 0 H BTRP A 76 87.142 9.885 27.401 0.50 13.81 H new ATOM 0 HA BTRP A 76 86.891 9.178 29.831 0.50 14.57 H new ATOM 0 HB2BTRP A 76 87.676 7.453 27.711 0.50 13.41 H new ATOM 0 HB3BTRP A 76 87.139 6.926 29.077 0.50 13.41 H new ATOM 0 HD1BTRP A 76 84.766 9.326 28.694 0.50 15.46 H new ATOM 0 HE1BTRP A 76 82.800 8.730 27.428 0.50 14.48 H new ATOM 0 HE3BTRP A 76 86.433 5.252 26.525 0.50 13.62 H new ATOM 0 HZ2BTRP A 76 82.046 6.728 25.671 0.50 15.65 H new ATOM 0 HZ3BTRP A 76 85.036 4.083 25.080 0.50 17.23 H new ATOM 0 HH2BTRP A 76 82.872 4.821 24.657 0.50 16.24 H new ATOM 561 N BILE A 77 89.897 8.743 28.854 0.50 13.06 N ATOM 562 CA BILE A 77 91.280 8.580 29.255 0.50 14.04 C ATOM 563 C BILE A 77 91.661 9.612 30.329 0.50 14.96 C ATOM 564 O BILE A 77 92.413 9.310 31.253 0.50 16.34 O ATOM 565 CB BILE A 77 92.209 8.734 27.992 0.50 12.19 C ATOM 566 CG1BILE A 77 92.124 7.459 27.139 0.50 15.66 C ATOM 567 CG2BILE A 77 93.655 9.017 28.400 0.50 13.10 C ATOM 568 CD1BILE A 77 92.600 7.617 25.665 0.50 16.15 C ATOM 0 H BILE A 77 89.790 8.829 28.005 0.50 13.06 H new ATOM 0 HA BILE A 77 91.397 7.696 29.636 0.50 14.04 H new ATOM 0 HB BILE A 77 91.902 9.491 27.469 0.50 12.19 H new ATOM 0 HG12BILE A 77 92.655 6.767 27.563 0.50 15.66 H new ATOM 0 HG13BILE A 77 91.205 7.149 27.136 0.50 15.66 H new ATOM 0 HG21BILE A 77 94.204 9.107 27.605 0.50 13.10 H new ATOM 0 HG22BILE A 77 93.692 9.840 28.913 0.50 13.10 H new ATOM 0 HG23BILE A 77 93.988 8.284 28.941 0.50 13.10 H new ATOM 0 HD11BILE A 77 92.512 6.768 25.204 0.50 16.15 H new ATOM 0 HD12BILE A 77 92.056 8.285 25.219 0.50 16.15 H new ATOM 0 HD13BILE A 77 93.529 7.896 25.653 0.50 16.15 H new ATOM 569 N BLEU A 78 91.126 10.820 30.217 0.50 14.29 N ATOM 570 CA BLEU A 78 91.466 11.876 31.160 0.50 15.30 C ATOM 571 C BLEU A 78 90.552 11.982 32.394 0.50 14.59 C ATOM 572 O BLEU A 78 91.021 12.296 33.482 0.50 16.35 O ATOM 573 CB BLEU A 78 91.528 13.222 30.410 0.50 16.29 C ATOM 574 CG BLEU A 78 92.430 13.286 29.158 0.50 19.34 C ATOM 575 CD1BLEU A 78 92.167 14.583 28.369 0.50 19.77 C ATOM 576 CD2BLEU A 78 93.898 13.196 29.567 0.50 17.50 C ATOM 0 H BLEU A 78 90.566 11.049 29.605 0.50 14.29 H new ATOM 0 HA BLEU A 78 92.332 11.638 31.526 0.50 15.30 H new ATOM 0 HB2BLEU A 78 90.626 13.461 30.144 0.50 16.29 H new ATOM 0 HB3BLEU A 78 91.829 13.901 31.034 0.50 16.29 H new ATOM 0 HG BLEU A 78 92.220 12.534 28.583 0.50 19.34 H new ATOM 0 HD11BLEU A 78 92.740 14.608 27.587 0.50 19.77 H new ATOM 0 HD12BLEU A 78 91.238 14.609 28.090 0.50 19.77 H new ATOM 0 HD13BLEU A 78 92.356 15.349 28.933 0.50 19.77 H new ATOM 0 HD21BLEU A 78 94.458 13.237 28.776 0.50 17.50 H new ATOM 0 HD22BLEU A 78 94.116 13.936 30.155 0.50 17.50 H new ATOM 0 HD23BLEU A 78 94.054 12.358 30.030 0.50 17.50 H new ATOM 577 N BTHR A 79 89.262 11.714 32.247 0.50 13.69 N ATOM 578 CA BTHR A 79 88.355 11.826 33.394 0.50 14.62 C ATOM 579 C BTHR A 79 88.283 10.588 34.285 0.50 16.43 C ATOM 580 O BTHR A 79 88.347 10.699 35.516 0.50 15.78 O ATOM 581 CB BTHR A 79 86.919 12.179 32.949 0.50 14.12 C ATOM 582 OG1BTHR A 79 86.441 11.188 32.022 0.50 15.09 O ATOM 583 CG2BTHR A 79 86.896 13.555 32.293 0.50 12.60 C ATOM 0 H BTHR A 79 88.892 11.470 31.510 0.50 13.69 H new ATOM 0 HA BTHR A 79 88.744 12.541 33.922 0.50 14.62 H new ATOM 0 HB BTHR A 79 86.342 12.194 33.728 0.50 14.12 H new ATOM 0 HG1BTHR A 79 86.837 11.278 31.287 0.50 15.09 H new ATOM 0 HG21BTHR A 79 85.991 13.767 32.017 0.50 12.60 H new ATOM 0 HG22BTHR A 79 87.205 14.221 32.927 0.50 12.60 H new ATOM 0 HG23BTHR A 79 87.478 13.553 31.517 0.50 12.60 H new ATOM 584 N BTHR A 80 88.165 9.412 33.674 0.50 15.30 N ATOM 585 CA BTHR A 80 88.082 8.177 34.451 0.50 15.63 C ATOM 586 C BTHR A 80 89.209 8.109 35.487 0.50 14.63 C ATOM 587 O BTHR A 80 88.984 7.728 36.633 0.50 13.87 O ATOM 588 CB BTHR A 80 88.057 6.916 33.505 0.50 15.89 C ATOM 589 OG1BTHR A 80 89.263 6.831 32.738 0.50 17.97 O ATOM 590 CG2BTHR A 80 86.892 7.032 32.526 0.50 15.34 C ATOM 0 H BTHR A 80 88.131 9.307 32.821 0.50 15.30 H new ATOM 0 HA BTHR A 80 87.245 8.176 34.942 0.50 15.63 H new ATOM 0 HB BTHR A 80 87.965 6.127 34.062 0.50 15.89 H new ATOM 0 HG1BTHR A 80 89.204 7.331 32.066 0.50 17.97 H new ATOM 0 HG21BTHR A 80 86.879 6.255 31.945 0.50 15.34 H new ATOM 0 HG22BTHR A 80 86.058 7.081 33.019 0.50 15.34 H new ATOM 0 HG23BTHR A 80 86.998 7.834 31.990 0.50 15.34 H new ATOM 591 N BPRO A 81 90.443 8.489 35.112 0.50 16.15 N ATOM 592 CA BPRO A 81 91.448 8.401 36.182 0.50 15.49 C ATOM 593 C BPRO A 81 91.103 9.376 37.326 0.50 17.09 C ATOM 594 O BPRO A 81 91.458 9.143 38.488 0.50 17.89 O ATOM 595 CB BPRO A 81 92.764 8.747 35.473 0.50 16.45 C ATOM 596 CG BPRO A 81 92.338 9.603 34.297 0.50 16.52 C ATOM 597 CD BPRO A 81 91.025 8.961 33.841 0.50 15.01 C ATOM 0 HA BPRO A 81 91.495 7.530 36.607 0.50 15.49 H new ATOM 0 HB2BPRO A 81 93.368 9.227 36.061 0.50 16.45 H new ATOM 0 HB3BPRO A 81 93.229 7.948 35.180 0.50 16.45 H new ATOM 0 HG2BPRO A 81 92.211 10.529 34.557 0.50 16.52 H new ATOM 0 HG3BPRO A 81 93.003 9.595 33.591 0.50 16.52 H new ATOM 0 HD2BPRO A 81 90.447 9.599 33.394 0.50 15.01 H new ATOM 0 HD3BPRO A 81 91.176 8.231 33.220 0.50 15.01 H new ATOM 598 N BLEU A 82 90.401 10.464 37.009 0.50 16.32 N ATOM 599 CA BLEU A 82 90.020 11.413 38.058 0.50 16.34 C ATOM 600 C BLEU A 82 88.897 10.811 38.893 0.50 16.14 C ATOM 601 O BLEU A 82 88.803 11.057 40.091 0.50 14.97 O ATOM 602 CB BLEU A 82 89.561 12.746 37.469 0.50 15.15 C ATOM 603 CG BLEU A 82 90.587 13.547 36.661 0.50 15.42 C ATOM 604 CD1BLEU A 82 90.021 14.923 36.332 0.50 16.17 C ATOM 605 CD2BLEU A 82 91.865 13.685 37.469 0.50 15.18 C ATOM 0 H BLEU A 82 90.141 10.669 36.215 0.50 16.32 H new ATOM 0 HA BLEU A 82 90.798 11.584 38.612 0.50 16.34 H new ATOM 0 HB2BLEU A 82 88.796 12.574 36.897 0.50 15.15 H new ATOM 0 HB3BLEU A 82 89.250 13.305 38.198 0.50 15.15 H new ATOM 0 HG BLEU A 82 90.783 13.084 35.832 0.50 15.42 H new ATOM 0 HD11BLEU A 82 90.673 15.427 35.821 0.50 16.17 H new ATOM 0 HD12BLEU A 82 89.209 14.823 35.811 0.50 16.17 H new ATOM 0 HD13BLEU A 82 89.820 15.396 37.155 0.50 16.17 H new ATOM 0 HD21BLEU A 82 92.517 14.192 36.960 0.50 15.18 H new ATOM 0 HD22BLEU A 82 91.674 14.147 38.300 0.50 15.18 H new ATOM 0 HD23BLEU A 82 92.222 12.804 37.664 0.50 15.18 H new ATOM 606 N BILE A 83 88.045 10.019 38.252 0.50 15.53 N ATOM 607 CA BILE A 83 86.959 9.368 38.959 0.50 18.46 C ATOM 608 C BILE A 83 87.561 8.325 39.896 0.50 19.71 C ATOM 609 O BILE A 83 87.116 8.167 41.034 0.50 20.45 O ATOM 610 CB BILE A 83 85.975 8.697 37.978 0.50 16.67 C ATOM 611 CG1BILE A 83 85.144 9.779 37.274 0.50 16.51 C ATOM 612 CG2BILE A 83 85.074 7.704 38.721 0.50 16.41 C ATOM 613 CD1BILE A 83 84.236 9.243 36.183 0.50 16.38 C ATOM 0 H BILE A 83 88.081 9.848 37.410 0.50 15.53 H new ATOM 0 HA BILE A 83 86.459 10.030 39.462 0.50 18.46 H new ATOM 0 HB BILE A 83 86.471 8.200 37.309 0.50 16.67 H new ATOM 0 HG12BILE A 83 84.604 10.241 37.934 0.50 16.51 H new ATOM 0 HG13BILE A 83 85.744 10.436 36.889 0.50 16.51 H new ATOM 0 HG21BILE A 83 84.461 7.290 38.093 0.50 16.41 H new ATOM 0 HG22BILE A 83 85.621 7.020 39.137 0.50 16.41 H new ATOM 0 HG23BILE A 83 84.569 8.173 39.403 0.50 16.41 H new ATOM 0 HD11BILE A 83 83.743 9.976 35.783 0.50 16.38 H new ATOM 0 HD12BILE A 83 84.771 8.804 35.503 0.50 16.38 H new ATOM 0 HD13BILE A 83 83.613 8.605 36.565 0.50 16.38 H new ATOM 614 N BVAL A 84 88.584 7.625 39.416 0.50 20.08 N ATOM 615 CA BVAL A 84 89.254 6.612 40.228 0.50 23.27 C ATOM 616 C BVAL A 84 89.885 7.272 41.451 0.50 24.49 C ATOM 617 O BVAL A 84 89.778 6.763 42.575 0.50 24.68 O ATOM 618 CB BVAL A 84 90.373 5.882 39.421 0.50 23.33 C ATOM 619 CG1BVAL A 84 91.251 5.084 40.354 0.50 23.30 C ATOM 620 CG2BVAL A 84 89.757 4.967 38.381 0.50 24.90 C ATOM 0 H BVAL A 84 88.906 7.720 38.624 0.50 20.08 H new ATOM 0 HA BVAL A 84 88.588 5.960 40.497 0.50 23.27 H new ATOM 0 HB BVAL A 84 90.916 6.548 38.971 0.50 23.33 H new ATOM 0 HG11BVAL A 84 91.942 4.635 39.843 0.50 23.30 H new ATOM 0 HG12BVAL A 84 91.662 5.679 41.000 0.50 23.30 H new ATOM 0 HG13BVAL A 84 90.713 4.424 40.819 0.50 23.30 H new ATOM 0 HG21BVAL A 84 90.461 4.519 37.886 0.50 24.90 H new ATOM 0 HG22BVAL A 84 89.200 4.306 38.821 0.50 24.90 H new ATOM 0 HG23BVAL A 84 89.215 5.490 37.770 0.50 24.90 H new ATOM 621 N BTYR A 85 90.543 8.405 41.223 0.50 25.69 N ATOM 622 CA BTYR A 85 91.216 9.142 42.295 0.50 27.16 C ATOM 623 C BTYR A 85 90.236 9.513 43.398 0.50 27.13 C ATOM 624 O BTYR A 85 90.527 9.367 44.587 0.50 27.85 O ATOM 625 CB BTYR A 85 91.878 10.409 41.730 0.50 28.01 C ATOM 626 CG BTYR A 85 92.501 11.325 42.777 0.50 28.55 C ATOM 627 CD1BTYR A 85 93.439 10.844 43.685 0.50 30.23 C ATOM 628 CD2BTYR A 85 92.167 12.679 42.836 0.50 30.22 C ATOM 629 CE1BTYR A 85 94.031 11.683 44.629 0.50 31.77 C ATOM 630 CE2BTYR A 85 92.752 13.533 43.777 0.50 30.31 C ATOM 631 CZ BTYR A 85 93.682 13.028 44.671 0.50 31.75 C ATOM 632 OH BTYR A 85 94.256 13.853 45.617 0.50 32.93 O ATOM 0 H BTYR A 85 90.613 8.769 40.447 0.50 25.69 H new ATOM 0 HA BTYR A 85 91.899 8.568 42.675 0.50 27.16 H new ATOM 0 HB2BTYR A 85 92.566 10.145 41.099 0.50 28.01 H new ATOM 0 HB3BTYR A 85 91.214 10.912 41.233 0.50 28.01 H new ATOM 0 HD1BTYR A 85 93.676 9.945 43.662 0.50 30.23 H new ATOM 0 HD2BTYR A 85 91.543 13.020 42.237 0.50 30.22 H new ATOM 0 HE1BTYR A 85 94.657 11.344 45.228 0.50 31.77 H new ATOM 0 HE2BTYR A 85 92.518 14.433 43.802 0.50 30.31 H new ATOM 0 HH BTYR A 85 93.957 14.633 45.527 0.50 32.93 H new ATOM 633 N BPHE A 86 89.069 9.986 42.991 0.50 27.12 N ATOM 634 CA BPHE A 86 88.038 10.390 43.933 0.50 26.98 C ATOM 635 C BPHE A 86 87.646 9.185 44.784 0.50 28.02 C ATOM 636 O BPHE A 86 87.502 9.291 46.005 0.50 28.19 O ATOM 637 CB BPHE A 86 86.835 10.933 43.155 0.50 26.69 C ATOM 638 CG BPHE A 86 85.789 11.585 44.014 0.50 27.33 C ATOM 639 CD1BPHE A 86 84.950 10.818 44.823 0.50 25.68 C ATOM 640 CD2BPHE A 86 85.631 12.972 44.000 0.50 25.10 C ATOM 641 CE1BPHE A 86 83.961 11.430 45.608 0.50 27.46 C ATOM 642 CE2BPHE A 86 84.646 13.588 44.781 0.50 27.11 C ATOM 643 CZ BPHE A 86 83.811 12.819 45.584 0.50 24.43 C ATOM 0 H BPHE A 86 88.852 10.082 42.164 0.50 27.12 H new ATOM 0 HA BPHE A 86 88.365 11.090 44.520 0.50 26.98 H new ATOM 0 HB2BPHE A 86 87.149 11.577 42.501 0.50 26.69 H new ATOM 0 HB3BPHE A 86 86.426 10.205 42.662 0.50 26.69 H new ATOM 0 HD1BPHE A 86 85.047 9.893 44.842 0.50 25.68 H new ATOM 0 HD2BPHE A 86 86.186 13.493 43.466 0.50 25.10 H new ATOM 0 HE1BPHE A 86 83.406 10.911 46.144 0.50 27.46 H new ATOM 0 HE2BPHE A 86 84.550 14.513 44.763 0.50 27.11 H new ATOM 0 HZ BPHE A 86 83.156 13.227 46.103 0.50 24.43 H new ATOM 644 N BLEU A 87 87.485 8.034 44.140 0.50 27.52 N ATOM 645 CA BLEU A 87 87.117 6.826 44.866 0.50 27.34 C ATOM 646 C BLEU A 87 88.256 6.360 45.764 0.50 28.41 C ATOM 647 O BLEU A 87 88.024 5.947 46.900 0.50 28.68 O ATOM 648 CB BLEU A 87 86.724 5.722 43.885 0.50 25.83 C ATOM 649 CG BLEU A 87 85.515 6.071 43.018 0.50 24.14 C ATOM 650 CD1BLEU A 87 85.252 4.959 42.007 0.50 23.96 C ATOM 651 CD2BLEU A 87 84.301 6.285 43.912 0.50 24.25 C ATOM 0 H BLEU A 87 87.583 7.932 43.292 0.50 27.52 H new ATOM 0 HA BLEU A 87 86.355 7.030 45.431 0.50 27.34 H new ATOM 0 HB2BLEU A 87 87.480 5.528 43.309 0.50 25.83 H new ATOM 0 HB3BLEU A 87 86.532 4.912 44.383 0.50 25.83 H new ATOM 0 HG BLEU A 87 85.693 6.888 42.526 0.50 24.14 H new ATOM 0 HD11BLEU A 87 84.483 5.191 41.463 0.50 23.96 H new ATOM 0 HD12BLEU A 87 86.029 4.849 41.437 0.50 23.96 H new ATOM 0 HD13BLEU A 87 85.076 4.129 42.477 0.50 23.96 H new ATOM 0 HD21BLEU A 87 83.531 6.507 43.365 0.50 24.25 H new ATOM 0 HD22BLEU A 87 84.119 5.473 44.411 0.50 24.25 H new ATOM 0 HD23BLEU A 87 84.478 7.011 44.530 0.50 24.25 H new ATOM 652 N BGLY A 88 89.485 6.433 45.255 0.50 28.78 N ATOM 653 CA BGLY A 88 90.637 6.024 46.042 0.50 29.20 C ATOM 654 C BGLY A 88 90.820 6.912 47.265 0.50 29.57 C ATOM 655 O BGLY A 88 91.258 6.457 48.321 0.50 29.18 O ATOM 0 H BGLY A 88 89.668 6.714 44.463 0.50 28.78 H new ATOM 0 HA2BGLY A 88 90.527 5.102 46.323 0.50 29.20 H new ATOM 0 HA3BGLY A 88 91.435 6.060 45.492 0.50 29.20 H new ATOM 656 N BLEU A 89 90.504 8.193 47.105 0.50 29.56 N ATOM 657 CA BLEU A 89 90.591 9.159 48.192 0.50 30.60 C ATOM 658 C BLEU A 89 89.595 8.770 49.286 0.50 31.69 C ATOM 659 O BLEU A 89 89.913 8.817 50.475 0.50 32.69 O ATOM 660 CB BLEU A 89 90.263 10.569 47.677 0.50 29.05 C ATOM 661 CG BLEU A 89 91.429 11.440 47.200 0.50 28.68 C ATOM 662 CD1BLEU A 89 90.890 12.764 46.663 0.50 27.50 C ATOM 663 CD2BLEU A 89 92.402 11.681 48.359 0.50 25.39 C ATOM 0 H BLEU A 89 90.232 8.526 46.360 0.50 29.56 H new ATOM 0 HA BLEU A 89 91.493 9.159 48.549 0.50 30.60 H new ATOM 0 HB2BLEU A 89 89.636 10.480 46.942 0.50 29.05 H new ATOM 0 HB3BLEU A 89 89.804 11.047 48.385 0.50 29.05 H new ATOM 0 HG BLEU A 89 91.906 10.987 46.487 0.50 28.68 H new ATOM 0 HD11BLEU A 89 91.629 13.316 46.361 0.50 27.50 H new ATOM 0 HD12BLEU A 89 90.290 12.592 45.920 0.50 27.50 H new ATOM 0 HD13BLEU A 89 90.408 13.227 47.366 0.50 27.50 H new ATOM 0 HD21BLEU A 89 93.139 12.233 48.054 0.50 25.39 H new ATOM 0 HD22BLEU A 89 91.939 12.132 49.082 0.50 25.39 H new ATOM 0 HD23BLEU A 89 92.745 10.831 48.676 0.50 25.39 H new ATOM 664 N BLEU A 90 88.387 8.390 48.879 0.50 31.46 N ATOM 665 CA BLEU A 90 87.367 7.975 49.829 0.50 31.85 C ATOM 666 C BLEU A 90 87.792 6.675 50.493 0.50 32.78 C ATOM 667 O BLEU A 90 87.721 6.545 51.712 0.50 33.39 O ATOM 668 CB BLEU A 90 86.018 7.773 49.136 0.50 31.01 C ATOM 669 CG BLEU A 90 85.211 9.010 48.743 0.50 32.95 C ATOM 670 CD1BLEU A 90 83.868 8.563 48.183 0.50 30.10 C ATOM 671 CD2BLEU A 90 85.001 9.916 49.963 0.50 33.00 C ATOM 0 H BLEU A 90 88.140 8.366 48.056 0.50 31.46 H new ATOM 0 HA BLEU A 90 87.268 8.673 50.495 0.50 31.85 H new ATOM 0 HB2BLEU A 90 86.174 7.254 48.332 0.50 31.01 H new ATOM 0 HB3BLEU A 90 85.464 7.232 49.720 0.50 31.01 H new ATOM 0 HG BLEU A 90 85.694 9.514 48.070 0.50 32.95 H new ATOM 0 HD11BLEU A 90 83.347 9.341 47.930 0.50 30.10 H new ATOM 0 HD12BLEU A 90 84.012 8.004 47.404 0.50 30.10 H new ATOM 0 HD13BLEU A 90 83.388 8.058 48.858 0.50 30.10 H new ATOM 0 HD21BLEU A 90 84.488 10.697 49.702 0.50 33.00 H new ATOM 0 HD22BLEU A 90 84.520 9.428 50.649 0.50 33.00 H new ATOM 0 HD23BLEU A 90 85.862 10.196 50.310 0.50 33.00 H new ATOM 672 N BALA A 91 88.233 5.708 49.693 0.50 32.37 N ATOM 673 CA BALA A 91 88.673 4.428 50.240 0.50 31.93 C ATOM 674 C BALA A 91 89.983 4.633 50.990 0.50 33.23 C ATOM 675 O BALA A 91 90.534 3.695 51.567 0.50 34.10 O ATOM 676 CB BALA A 91 88.861 3.408 49.122 0.50 30.96 C ATOM 0 H BALA A 91 88.285 5.772 48.837 0.50 32.37 H new ATOM 0 HA BALA A 91 87.998 4.089 50.849 0.50 31.93 H new ATOM 0 HB1BALA A 91 89.153 2.564 49.500 0.50 30.96 H new ATOM 0 HB2BALA A 91 88.020 3.280 48.656 0.50 30.96 H new ATOM 0 HB3BALA A 91 89.530 3.731 48.498 0.50 30.96 H new ATOM 677 N BGLY A 92 90.480 5.866 50.967 0.50 33.61 N ATOM 678 CA BGLY A 92 91.721 6.194 51.650 0.50 34.18 C ATOM 679 C BGLY A 92 92.926 5.355 51.267 0.50 34.17 C ATOM 680 O BGLY A 92 93.656 4.899 52.142 0.50 33.68 O ATOM 0 H BGLY A 92 90.111 6.527 50.560 0.50 33.61 H new ATOM 0 HA2BGLY A 92 91.929 7.126 51.478 0.50 34.18 H new ATOM 0 HA3BGLY A 92 91.578 6.107 52.605 0.50 34.18 H new ATOM 681 N BLEU A 93 93.141 5.158 49.965 0.50 34.28 N ATOM 682 CA BLEU A 93 94.270 4.366 49.469 0.50 32.80 C ATOM 683 C BLEU A 93 95.592 5.125 49.577 0.50 33.96 C ATOM 684 O BLEU A 93 95.608 6.350 49.696 0.50 34.09 O ATOM 685 CB BLEU A 93 94.064 4.003 47.993 0.50 32.15 C ATOM 686 CG BLEU A 93 92.759 3.379 47.489 0.50 31.94 C ATOM 687 CD1BLEU A 93 92.858 3.198 45.978 0.50 29.07 C ATOM 688 CD2BLEU A 93 92.494 2.043 48.184 0.50 29.99 C ATOM 0 H BLEU A 93 92.638 5.479 49.346 0.50 34.28 H new ATOM 0 HA BLEU A 93 94.309 3.569 50.020 0.50 32.80 H new ATOM 0 HB2BLEU A 93 94.202 4.816 47.482 0.50 32.15 H new ATOM 0 HB3BLEU A 93 94.778 3.392 47.752 0.50 32.15 H new ATOM 0 HG BLEU A 93 92.014 3.965 47.697 0.50 31.94 H new ATOM 0 HD11BLEU A 93 92.037 2.803 45.645 0.50 29.07 H new ATOM 0 HD12BLEU A 93 92.995 4.061 45.557 0.50 29.07 H new ATOM 0 HD13BLEU A 93 93.605 2.615 45.770 0.50 29.07 H new ATOM 0 HD21BLEU A 93 91.665 1.664 47.852 0.50 29.99 H new ATOM 0 HD22BLEU A 93 93.225 1.432 48.000 0.50 29.99 H new ATOM 0 HD23BLEU A 93 92.424 2.184 49.141 0.50 29.99 H new ATOM 689 N BASP A 94 96.703 4.393 49.531 0.50 34.36 N ATOM 690 CA BASP A 94 98.022 5.018 49.564 0.50 34.58 C ATOM 691 C BASP A 94 98.571 4.999 48.132 0.50 34.76 C ATOM 692 O BASP A 94 97.901 4.495 47.225 0.50 33.30 O ATOM 693 CB BASP A 94 98.974 4.266 50.497 0.50 35.41 C ATOM 694 CG BASP A 94 99.112 2.803 50.134 0.50 37.78 C ATOM 695 OD1BASP A 94 99.175 2.485 48.925 0.50 38.58 O ATOM 696 OD2BASP A 94 99.168 1.971 51.061 0.50 39.11 O ATOM 0 H BASP A 94 96.714 3.535 49.481 0.50 34.36 H new ATOM 0 HA BASP A 94 97.948 5.924 49.901 0.50 34.58 H new ATOM 0 HB2BASP A 94 99.848 4.686 50.469 0.50 35.41 H new ATOM 0 HB3BASP A 94 98.653 4.340 51.409 0.50 35.41 H new ATOM 697 N BSER A 95 99.777 5.540 47.945 0.50 33.98 N ATOM 698 CA BSER A 95 100.441 5.627 46.637 0.50 35.64 C ATOM 699 C BSER A 95 100.452 4.343 45.810 0.50 35.32 C ATOM 700 O BSER A 95 100.203 4.364 44.598 0.50 34.35 O ATOM 701 CB BSER A 95 101.892 6.099 46.808 0.50 36.57 C ATOM 702 OG BSER A 95 101.953 7.441 47.262 0.50 40.42 O ATOM 0 H BSER A 95 100.243 5.874 48.587 0.50 33.98 H new ATOM 0 HA BSER A 95 99.903 6.264 46.142 0.50 35.64 H new ATOM 0 HB2BSER A 95 102.349 5.522 47.440 0.50 36.57 H new ATOM 0 HB3BSER A 95 102.360 6.021 45.962 0.50 36.57 H new ATOM 0 HG BSER A 95 102.756 7.672 47.348 0.50 40.42 H new ATOM 703 N BARG A 96 100.765 3.237 46.473 0.50 34.59 N ATOM 704 CA BARG A 96 100.830 1.931 45.838 0.50 35.32 C ATOM 705 C BARG A 96 99.466 1.552 45.255 0.50 33.92 C ATOM 706 O BARG A 96 99.352 1.282 44.057 0.50 33.79 O ATOM 707 CB BARG A 96 101.293 0.892 46.870 0.50 35.77 C ATOM 708 CG BARG A 96 101.288 -0.545 46.392 0.50 38.65 C ATOM 709 CD BARG A 96 102.213 -0.766 45.205 0.50 41.42 C ATOM 710 NE BARG A 96 102.147 -2.154 44.750 0.50 43.40 N ATOM 711 CZ BARG A 96 102.507 -2.568 43.537 0.50 43.70 C ATOM 712 NH1BARG A 96 102.968 -1.699 42.644 0.50 43.95 N ATOM 713 NH2BARG A 96 102.384 -3.850 43.212 0.50 40.92 N ATOM 0 H BARG A 96 100.947 3.225 47.313 0.50 34.59 H new ATOM 0 HA BARG A 96 101.467 1.957 45.107 0.50 35.32 H new ATOM 0 HB2BARG A 96 102.192 1.119 47.154 0.50 35.77 H new ATOM 0 HB3BARG A 96 100.723 0.959 47.652 0.50 35.77 H new ATOM 0 HG2BARG A 96 101.557 -1.126 47.121 0.50 38.65 H new ATOM 0 HG3BARG A 96 100.384 -0.798 46.146 0.50 38.65 H new ATOM 0 HD2BARG A 96 101.965 -0.171 44.480 0.50 41.42 H new ATOM 0 HD3BARG A 96 103.124 -0.545 45.454 0.50 41.42 H new ATOM 0 HE BARG A 96 101.856 -2.744 45.304 0.50 43.40 H new ATOM 0 HH11BARG A 96 103.035 -0.866 42.849 0.50 43.95 H new ATOM 0 HH12BARG A 96 103.200 -1.969 41.861 0.50 43.95 H new ATOM 0 HH21BARG A 96 102.072 -4.411 43.785 0.50 40.92 H new ATOM 0 HH22BARG A 96 102.616 -4.119 42.429 0.50 40.92 H new ATOM 714 N BGLU A 97 98.442 1.541 46.108 0.50 33.10 N ATOM 715 CA BGLU A 97 97.087 1.199 45.694 0.50 32.01 C ATOM 716 C BGLU A 97 96.581 2.104 44.579 0.50 30.19 C ATOM 717 O BGLU A 97 95.940 1.626 43.648 0.50 29.86 O ATOM 718 CB BGLU A 97 96.118 1.271 46.882 0.50 34.62 C ATOM 719 CG BGLU A 97 96.254 0.138 47.906 0.50 38.16 C ATOM 720 CD BGLU A 97 95.303 0.313 49.092 0.50 38.18 C ATOM 721 OE1BGLU A 97 95.325 1.402 49.709 0.50 38.29 O ATOM 722 OE2BGLU A 97 94.542 -0.631 49.406 0.50 36.73 O ATOM 0 H BGLU A 97 98.516 1.732 46.943 0.50 33.10 H new ATOM 0 HA BGLU A 97 97.122 0.290 45.356 0.50 32.01 H new ATOM 0 HB2BGLU A 97 96.250 2.117 47.338 0.50 34.62 H new ATOM 0 HB3BGLU A 97 95.210 1.272 46.541 0.50 34.62 H new ATOM 0 HG2BGLU A 97 96.075 -0.711 47.472 0.50 38.16 H new ATOM 0 HG3BGLU A 97 97.168 0.104 48.229 0.50 38.16 H new ATOM 723 N BPHE A 98 96.850 3.407 44.673 0.50 27.72 N ATOM 724 CA BPHE A 98 96.414 4.337 43.633 0.50 27.31 C ATOM 725 C BPHE A 98 97.056 3.983 42.284 0.50 26.10 C ATOM 726 O BPHE A 98 96.398 4.018 41.248 0.50 24.90 O ATOM 727 CB BPHE A 98 96.798 5.780 43.986 0.50 28.21 C ATOM 728 CG BPHE A 98 95.751 6.530 44.775 0.50 30.84 C ATOM 729 CD1BPHE A 98 94.456 6.671 44.285 0.50 32.16 C ATOM 730 CD2BPHE A 98 96.077 7.137 45.986 0.50 31.16 C ATOM 731 CE1BPHE A 98 93.496 7.410 44.987 0.50 31.64 C ATOM 732 CE2BPHE A 98 95.131 7.877 46.694 0.50 33.28 C ATOM 733 CZ BPHE A 98 93.835 8.013 46.192 0.50 32.15 C ATOM 0 H BPHE A 98 97.279 3.769 45.324 0.50 27.72 H new ATOM 0 HA BPHE A 98 95.449 4.263 43.570 0.50 27.31 H new ATOM 0 HB2BPHE A 98 97.624 5.768 44.495 0.50 28.21 H new ATOM 0 HB3BPHE A 98 96.978 6.265 43.165 0.50 28.21 H new ATOM 0 HD1BPHE A 98 94.225 6.268 43.479 0.50 32.16 H new ATOM 0 HD2BPHE A 98 96.938 7.047 46.327 0.50 31.16 H new ATOM 0 HE1BPHE A 98 92.634 7.497 44.648 0.50 31.64 H new ATOM 0 HE2BPHE A 98 95.363 8.280 47.500 0.50 33.28 H new ATOM 0 HZ BPHE A 98 93.201 8.505 46.662 0.50 32.15 H new ATOM 734 N BGLY A 99 98.345 3.649 42.311 0.50 25.54 N ATOM 735 CA BGLY A 99 99.067 3.312 41.091 0.50 23.01 C ATOM 736 C BGLY A 99 98.516 2.079 40.409 0.50 22.97 C ATOM 737 O BGLY A 99 98.563 1.957 39.187 0.50 22.06 O ATOM 0 H BGLY A 99 98.818 3.612 43.028 0.50 25.54 H new ATOM 0 HA2BGLY A 99 99.026 4.062 40.477 0.50 23.01 H new ATOM 0 HA3BGLY A 99 100.003 3.169 41.302 0.50 23.01 H new ATOM 738 N BILE A 100 97.988 1.162 41.212 0.50 22.86 N ATOM 739 CA BILE A 100 97.409 -0.070 40.699 0.50 21.70 C ATOM 740 C BILE A 100 96.077 0.172 39.981 0.50 22.14 C ATOM 741 O BILE A 100 95.885 -0.310 38.858 0.50 19.94 O ATOM 742 CB BILE A 100 97.218 -1.105 41.845 0.50 22.35 C ATOM 743 CG1BILE A 100 98.591 -1.661 42.256 0.50 22.62 C ATOM 744 CG2BILE A 100 96.281 -2.235 41.403 0.50 22.72 C ATOM 745 CD1BILE A 100 98.573 -2.604 43.479 0.50 24.25 C ATOM 0 H BILE A 100 97.956 1.238 42.068 0.50 22.86 H new ATOM 0 HA BILE A 100 98.033 -0.427 40.047 0.50 21.70 H new ATOM 0 HB BILE A 100 96.810 -0.668 42.609 0.50 22.35 H new ATOM 0 HG12BILE A 100 98.971 -2.138 41.502 0.50 22.62 H new ATOM 0 HG13BILE A 100 99.183 -0.916 42.447 0.50 22.62 H new ATOM 0 HG21BILE A 100 96.174 -2.869 42.129 0.50 22.72 H new ATOM 0 HG22BILE A 100 95.416 -1.865 41.168 0.50 22.72 H new ATOM 0 HG23BILE A 100 96.659 -2.687 40.633 0.50 22.72 H new ATOM 0 HD11BILE A 100 99.475 -2.907 43.668 0.50 24.25 H new ATOM 0 HD12BILE A 100 98.224 -2.129 44.249 0.50 24.25 H new ATOM 0 HD13BILE A 100 98.009 -3.370 43.289 0.50 24.25 H new ATOM 746 N BVAL A 101 95.164 0.920 40.605 0.50 20.29 N ATOM 747 CA BVAL A 101 93.870 1.174 39.972 0.50 21.83 C ATOM 748 C BVAL A 101 93.962 2.090 38.759 0.50 21.85 C ATOM 749 O BVAL A 101 93.279 1.868 37.766 0.50 22.09 O ATOM 750 CB BVAL A 101 92.811 1.787 40.949 0.50 24.00 C ATOM 751 CG1BVAL A 101 91.875 0.711 41.431 0.50 23.01 C ATOM 752 CG2BVAL A 101 93.483 2.489 42.114 0.50 21.90 C ATOM 0 H BVAL A 101 95.271 1.282 41.378 0.50 20.29 H new ATOM 0 HA BVAL A 101 93.581 0.292 39.692 0.50 21.83 H new ATOM 0 HB BVAL A 101 92.296 2.454 40.468 0.50 24.00 H new ATOM 0 HG11BVAL A 101 91.222 1.097 42.035 0.50 23.01 H new ATOM 0 HG12BVAL A 101 91.418 0.315 40.672 0.50 23.01 H new ATOM 0 HG13BVAL A 101 92.381 0.027 41.896 0.50 23.01 H new ATOM 0 HG21BVAL A 101 92.807 2.859 42.703 0.50 21.90 H new ATOM 0 HG22BVAL A 101 94.026 1.853 42.605 0.50 21.90 H new ATOM 0 HG23BVAL A 101 94.046 3.204 41.780 0.50 21.90 H new ATOM 753 N BILE A 102 94.800 3.121 38.843 0.50 21.50 N ATOM 754 CA BILE A 102 94.964 4.052 37.734 0.50 21.15 C ATOM 755 C BILE A 102 95.558 3.324 36.532 0.50 20.31 C ATOM 756 O BILE A 102 95.181 3.578 35.390 0.50 18.74 O ATOM 757 CB BILE A 102 95.878 5.219 38.119 0.50 21.32 C ATOM 758 CG1BILE A 102 95.200 6.059 39.206 0.50 22.59 C ATOM 759 CG2BILE A 102 96.182 6.071 36.878 0.50 19.55 C ATOM 760 CD1BILE A 102 93.837 6.580 38.796 0.50 19.95 C ATOM 0 H BILE A 102 95.282 3.297 39.533 0.50 21.50 H new ATOM 0 HA BILE A 102 94.089 4.406 37.509 0.50 21.15 H new ATOM 0 HB BILE A 102 96.717 4.879 38.468 0.50 21.32 H new ATOM 0 HG12BILE A 102 95.107 5.523 40.009 0.50 22.59 H new ATOM 0 HG13BILE A 102 95.772 6.809 39.431 0.50 22.59 H new ATOM 0 HG21BILE A 102 96.761 6.809 37.126 0.50 19.55 H new ATOM 0 HG22BILE A 102 96.624 5.524 36.210 0.50 19.55 H new ATOM 0 HG23BILE A 102 95.353 6.419 36.513 0.50 19.55 H new ATOM 0 HD11BILE A 102 93.458 7.102 39.521 0.50 19.95 H new ATOM 0 HD12BILE A 102 93.928 7.139 38.008 0.50 19.95 H new ATOM 0 HD13BILE A 102 93.251 5.833 38.596 0.50 19.95 H new ATOM 761 N BTHR A 103 96.492 2.422 36.811 0.50 19.42 N ATOM 762 CA BTHR A 103 97.125 1.614 35.779 0.50 20.08 C ATOM 763 C BTHR A 103 96.059 0.793 35.054 0.50 19.72 C ATOM 764 O BTHR A 103 95.900 0.900 33.839 0.50 20.64 O ATOM 765 CB BTHR A 103 98.162 0.648 36.392 0.50 20.70 C ATOM 766 OG1BTHR A 103 99.333 1.383 36.783 0.50 22.79 O ATOM 767 CG2BTHR A 103 98.538 -0.437 35.398 0.50 21.11 C ATOM 0 H BTHR A 103 96.777 2.262 37.607 0.50 19.42 H new ATOM 0 HA BTHR A 103 97.576 2.209 35.160 0.50 20.08 H new ATOM 0 HB BTHR A 103 97.771 0.225 37.172 0.50 20.70 H new ATOM 0 HG1BTHR A 103 99.332 1.489 37.616 0.50 22.79 H new ATOM 0 HG21BTHR A 103 99.189 -1.033 35.800 0.50 21.11 H new ATOM 0 HG22BTHR A 103 97.746 -0.941 35.154 0.50 21.11 H new ATOM 0 HG23BTHR A 103 98.919 -0.031 34.604 0.50 21.11 H new ATOM 768 N BLEU A 104 95.316 -0.017 35.800 0.50 19.77 N ATOM 769 CA BLEU A 104 94.286 -0.846 35.189 0.50 20.74 C ATOM 770 C BLEU A 104 93.347 0.044 34.389 0.50 20.56 C ATOM 771 O BLEU A 104 93.077 -0.208 33.205 0.50 20.49 O ATOM 772 CB BLEU A 104 93.519 -1.626 36.269 0.50 21.80 C ATOM 773 CG BLEU A 104 94.342 -2.720 36.970 0.50 25.39 C ATOM 774 CD1BLEU A 104 93.534 -3.357 38.100 0.50 23.95 C ATOM 775 CD2BLEU A 104 94.753 -3.778 35.940 0.50 25.16 C ATOM 0 H BLEU A 104 95.391 -0.101 36.653 0.50 19.77 H new ATOM 0 HA BLEU A 104 94.695 -1.493 34.593 0.50 20.74 H new ATOM 0 HB2BLEU A 104 93.198 -1.000 36.937 0.50 21.80 H new ATOM 0 HB3BLEU A 104 92.738 -2.034 35.864 0.50 21.80 H new ATOM 0 HG BLEU A 104 95.138 -2.324 37.358 0.50 25.39 H new ATOM 0 HD11BLEU A 104 94.066 -4.044 38.531 0.50 23.95 H new ATOM 0 HD12BLEU A 104 93.295 -2.678 38.750 0.50 23.95 H new ATOM 0 HD13BLEU A 104 92.727 -3.754 37.737 0.50 23.95 H new ATOM 0 HD21BLEU A 104 95.273 -4.471 36.377 0.50 25.16 H new ATOM 0 HD22BLEU A 104 93.959 -4.171 35.545 0.50 25.16 H new ATOM 0 HD23BLEU A 104 95.288 -3.363 35.245 0.50 25.16 H new ATOM 776 N BASN A 105 92.870 1.100 35.036 0.50 20.23 N ATOM 777 CA BASN A 105 91.976 2.056 34.395 0.50 20.21 C ATOM 778 C BASN A 105 92.518 2.587 33.070 0.50 19.50 C ATOM 779 O BASN A 105 91.820 2.615 32.062 0.50 19.33 O ATOM 780 CB BASN A 105 91.734 3.253 35.306 0.50 21.08 C ATOM 781 CG BASN A 105 90.731 4.218 34.723 0.50 23.98 C ATOM 782 OD1BASN A 105 89.522 3.974 34.765 0.50 25.00 O ATOM 783 ND2BASN A 105 91.221 5.307 34.151 0.50 20.14 N ATOM 0 H BASN A 105 93.054 1.283 35.856 0.50 20.23 H new ATOM 0 HA BASN A 105 91.154 1.571 34.222 0.50 20.21 H new ATOM 0 HB2BASN A 105 91.418 2.942 36.169 0.50 21.08 H new ATOM 0 HB3BASN A 105 92.573 3.715 35.461 0.50 21.08 H new ATOM 0 HD21BASN A 105 90.690 5.879 33.789 0.50 20.14 H new ATOM 0 HD22BASN A 105 92.070 5.443 34.141 0.50 20.14 H new ATOM 784 N BTHR A 106 93.769 3.025 33.074 0.50 19.71 N ATOM 785 CA BTHR A 106 94.358 3.575 31.865 0.50 18.51 C ATOM 786 C BTHR A 106 94.433 2.549 30.722 0.50 18.68 C ATOM 787 O BTHR A 106 94.304 2.909 29.552 0.50 18.32 O ATOM 788 CB BTHR A 106 95.745 4.154 32.187 0.50 18.76 C ATOM 789 OG1BTHR A 106 95.594 5.165 33.194 0.50 19.55 O ATOM 790 CG2BTHR A 106 96.383 4.774 30.945 0.50 19.33 C ATOM 0 H BTHR A 106 94.289 3.013 33.759 0.50 19.71 H new ATOM 0 HA BTHR A 106 93.778 4.285 31.548 0.50 18.51 H new ATOM 0 HB BTHR A 106 96.320 3.438 32.500 0.50 18.76 H new ATOM 0 HG1BTHR A 106 95.456 4.801 33.938 0.50 19.55 H new ATOM 0 HG21BTHR A 106 97.255 5.132 31.173 0.50 19.33 H new ATOM 0 HG22BTHR A 106 96.482 4.096 30.259 0.50 19.33 H new ATOM 0 HG23BTHR A 106 95.818 5.489 30.613 0.50 19.33 H new ATOM 791 N BVAL A 107 94.635 1.277 31.063 0.50 18.34 N ATOM 792 CA BVAL A 107 94.700 0.201 30.064 0.50 17.80 C ATOM 793 C BVAL A 107 93.340 0.025 29.403 0.50 16.64 C ATOM 794 O BVAL A 107 93.243 -0.204 28.191 0.50 17.39 O ATOM 795 CB BVAL A 107 95.125 -1.136 30.711 0.50 18.42 C ATOM 796 CG1BVAL A 107 95.122 -2.252 29.664 0.50 16.54 C ATOM 797 CG2BVAL A 107 96.522 -0.980 31.325 0.50 18.67 C ATOM 0 H BVAL A 107 94.738 1.011 31.874 0.50 18.34 H new ATOM 0 HA BVAL A 107 95.362 0.450 29.400 0.50 17.80 H new ATOM 0 HB BVAL A 107 94.495 -1.372 31.410 0.50 18.42 H new ATOM 0 HG11BVAL A 107 95.390 -3.087 30.080 0.50 16.54 H new ATOM 0 HG12BVAL A 107 94.230 -2.347 29.295 0.50 16.54 H new ATOM 0 HG13BVAL A 107 95.744 -2.031 28.953 0.50 16.54 H new ATOM 0 HG21BVAL A 107 96.792 -1.818 31.732 0.50 18.67 H new ATOM 0 HG22BVAL A 107 97.156 -0.739 30.631 0.50 18.67 H new ATOM 0 HG23BVAL A 107 96.503 -0.284 32.000 0.50 18.67 H new ATOM 798 N BVAL A 108 92.282 0.139 30.204 0.50 17.48 N ATOM 799 CA BVAL A 108 90.926 0.041 29.680 0.50 15.48 C ATOM 800 C BVAL A 108 90.717 1.145 28.623 0.50 17.04 C ATOM 801 O BVAL A 108 90.400 0.873 27.459 0.50 16.37 O ATOM 802 CB BVAL A 108 89.854 0.284 30.786 0.50 16.67 C ATOM 803 CG1BVAL A 108 88.485 0.286 30.151 0.50 15.47 C ATOM 804 CG2BVAL A 108 89.940 -0.776 31.897 0.50 13.96 C ATOM 0 H BVAL A 108 92.330 0.273 31.052 0.50 17.48 H new ATOM 0 HA BVAL A 108 90.824 -0.852 29.315 0.50 15.48 H new ATOM 0 HB BVAL A 108 90.021 1.144 31.202 0.50 16.67 H new ATOM 0 HG11BVAL A 108 87.812 0.437 30.833 0.50 15.47 H new ATOM 0 HG12BVAL A 108 88.437 0.992 29.488 0.50 15.47 H new ATOM 0 HG13BVAL A 108 88.325 -0.570 29.723 0.50 15.47 H new ATOM 0 HG21BVAL A 108 89.262 -0.598 32.568 0.50 13.96 H new ATOM 0 HG22BVAL A 108 89.794 -1.656 31.517 0.50 13.96 H new ATOM 0 HG23BVAL A 108 90.818 -0.743 32.308 0.50 13.96 H new ATOM 805 N BMET A 109 90.911 2.394 29.043 0.50 14.85 N ATOM 806 CA BMET A 109 90.676 3.538 28.164 0.50 15.93 C ATOM 807 C BMET A 109 91.547 3.584 26.918 0.50 13.74 C ATOM 808 O BMET A 109 91.052 3.861 25.831 0.50 12.95 O ATOM 809 CB BMET A 109 90.806 4.841 28.959 0.50 13.11 C ATOM 810 CG BMET A 109 89.918 4.871 30.204 0.50 16.62 C ATOM 811 SD BMET A 109 88.218 4.238 29.933 0.50 18.90 S ATOM 812 CE BMET A 109 87.815 3.566 31.602 0.50 13.95 C ATOM 0 H BMET A 109 91.179 2.600 29.834 0.50 14.85 H new ATOM 0 HA BMET A 109 89.771 3.429 27.831 0.50 15.93 H new ATOM 0 HB2BMET A 109 91.731 4.961 29.224 0.50 13.11 H new ATOM 0 HB3BMET A 109 90.576 5.589 28.385 0.50 13.11 H new ATOM 0 HG2BMET A 109 90.340 4.346 30.902 0.50 16.62 H new ATOM 0 HG3BMET A 109 89.864 5.784 30.528 0.50 16.62 H new ATOM 0 HE1BMET A 109 86.853 3.486 31.695 0.50 13.95 H new ATOM 0 HE2BMET A 109 88.224 2.693 31.707 0.50 13.95 H new ATOM 0 HE3BMET A 109 88.156 4.166 32.284 0.50 13.95 H new ATOM 813 N BLEU A 110 92.835 3.310 27.079 0.50 13.49 N ATOM 814 CA BLEU A 110 93.748 3.301 25.948 0.50 14.91 C ATOM 815 C BLEU A 110 93.385 2.194 24.971 0.50 14.29 C ATOM 816 O BLEU A 110 93.435 2.394 23.759 0.50 15.30 O ATOM 817 CB BLEU A 110 95.193 3.106 26.417 0.50 15.67 C ATOM 818 CG BLEU A 110 95.910 4.317 27.023 0.50 18.31 C ATOM 819 CD1BLEU A 110 97.333 3.907 27.451 0.50 19.20 C ATOM 820 CD2BLEU A 110 95.968 5.446 26.007 0.50 17.89 C ATOM 0 H BLEU A 110 93.200 3.127 27.836 0.50 13.49 H new ATOM 0 HA BLEU A 110 93.671 4.159 25.502 0.50 14.91 H new ATOM 0 HB2BLEU A 110 95.200 2.394 27.075 0.50 15.67 H new ATOM 0 HB3BLEU A 110 95.714 2.798 25.659 0.50 15.67 H new ATOM 0 HG BLEU A 110 95.422 4.627 27.801 0.50 18.31 H new ATOM 0 HD11BLEU A 110 97.789 4.672 27.835 0.50 19.20 H new ATOM 0 HD12BLEU A 110 97.281 3.198 28.111 0.50 19.20 H new ATOM 0 HD13BLEU A 110 97.826 3.593 26.677 0.50 19.20 H new ATOM 0 HD21BLEU A 110 96.423 6.209 26.397 0.50 17.89 H new ATOM 0 HD22BLEU A 110 96.451 5.149 25.220 0.50 17.89 H new ATOM 0 HD23BLEU A 110 95.067 5.701 25.755 0.50 17.89 H new ATOM 821 N BALA A 111 93.017 1.028 25.493 0.50 15.55 N ATOM 822 CA BALA A 111 92.658 -0.095 24.634 0.50 16.96 C ATOM 823 C BALA A 111 91.423 0.214 23.804 0.50 18.04 C ATOM 824 O BALA A 111 91.383 -0.072 22.612 0.50 19.83 O ATOM 825 CB BALA A 111 92.426 -1.353 25.472 0.50 16.50 C ATOM 0 H BALA A 111 92.969 0.867 26.336 0.50 15.55 H new ATOM 0 HA BALA A 111 93.398 -0.250 24.026 0.50 16.96 H new ATOM 0 HB1BALA A 111 92.188 -2.091 24.889 0.50 16.50 H new ATOM 0 HB2BALA A 111 93.237 -1.573 25.957 0.50 16.50 H new ATOM 0 HB3BALA A 111 91.706 -1.194 26.102 0.50 16.50 H new ATOM 826 N BGLY A 112 90.408 0.801 24.429 0.50 18.71 N ATOM 827 CA BGLY A 112 89.199 1.115 23.692 0.50 16.95 C ATOM 828 C BGLY A 112 89.462 2.178 22.649 0.50 18.04 C ATOM 829 O BGLY A 112 88.919 2.128 21.545 0.50 18.06 O ATOM 0 H BGLY A 112 90.401 1.020 25.261 0.50 18.71 H new ATOM 0 HA2BGLY A 112 88.860 0.314 23.264 0.50 16.95 H new ATOM 0 HA3BGLY A 112 88.513 1.421 24.305 0.50 16.95 H new ATOM 830 N BPHE A 113 90.298 3.149 23.003 0.50 17.33 N ATOM 831 CA BPHE A 113 90.639 4.218 22.086 0.50 17.34 C ATOM 832 C BPHE A 113 91.382 3.663 20.876 0.50 18.41 C ATOM 833 O BPHE A 113 91.020 3.947 19.732 0.50 19.30 O ATOM 834 CB BPHE A 113 91.518 5.260 22.779 0.50 17.45 C ATOM 835 CG BPHE A 113 91.849 6.448 21.908 0.50 19.48 C ATOM 836 CD1BPHE A 113 91.106 6.721 20.763 0.50 20.66 C ATOM 837 CD2BPHE A 113 92.865 7.315 22.256 0.50 21.14 C ATOM 838 CE1BPHE A 113 91.374 7.841 19.984 0.50 21.75 C ATOM 839 CE2BPHE A 113 93.135 8.436 21.483 0.50 23.18 C ATOM 840 CZ BPHE A 113 92.386 8.698 20.342 0.50 21.57 C ATOM 0 H BPHE A 113 90.677 3.203 23.773 0.50 17.33 H new ATOM 0 HA BPHE A 113 89.814 4.637 21.794 0.50 17.34 H new ATOM 0 HB2BPHE A 113 91.067 5.571 23.580 0.50 17.45 H new ATOM 0 HB3BPHE A 113 92.343 4.838 23.064 0.50 17.45 H new ATOM 0 HD1BPHE A 113 90.419 6.145 20.515 0.50 20.66 H new ATOM 0 HD2BPHE A 113 93.374 7.146 23.016 0.50 21.14 H new ATOM 0 HE1BPHE A 113 90.869 8.010 19.222 0.50 21.75 H new ATOM 0 HE2BPHE A 113 93.820 9.014 21.730 0.50 23.18 H new ATOM 0 HZ BPHE A 113 92.569 9.449 19.824 0.50 21.57 H new ATOM 841 N BALA A 114 92.429 2.879 21.130 0.50 16.79 N ATOM 842 CA BALA A 114 93.207 2.301 20.047 0.50 17.35 C ATOM 843 C BALA A 114 92.336 1.396 19.174 0.50 18.07 C ATOM 844 O BALA A 114 92.385 1.476 17.943 0.50 17.22 O ATOM 845 CB BALA A 114 94.399 1.510 20.611 0.50 18.58 C ATOM 0 H BALA A 114 92.701 2.673 21.919 0.50 16.79 H new ATOM 0 HA BALA A 114 93.543 3.024 19.495 0.50 17.35 H new ATOM 0 HB1BALA A 114 94.910 1.129 19.880 0.50 18.58 H new ATOM 0 HB2BALA A 114 94.967 2.104 21.127 0.50 18.58 H new ATOM 0 HB3BALA A 114 94.073 0.797 21.183 0.50 18.58 H new ATOM 846 N BGLY A 115 91.542 0.535 19.806 0.50 17.37 N ATOM 847 CA BGLY A 115 90.688 -0.357 19.036 0.50 20.43 C ATOM 848 C BGLY A 115 89.703 0.364 18.120 0.50 21.54 C ATOM 849 O BGLY A 115 89.405 -0.100 17.013 0.50 20.21 O ATOM 0 H BGLY A 115 91.484 0.453 20.660 0.50 17.37 H new ATOM 0 HA2BGLY A 115 91.246 -0.941 18.499 0.50 20.43 H new ATOM 0 HA3BGLY A 115 90.192 -0.923 19.648 0.50 20.43 H new ATOM 850 N BALA A 116 89.195 1.504 18.578 0.50 23.06 N ATOM 851 CA BALA A 116 88.237 2.284 17.798 0.50 26.04 C ATOM 852 C BALA A 116 88.884 2.867 16.544 0.50 29.10 C ATOM 853 O BALA A 116 88.195 3.240 15.593 0.50 29.30 O ATOM 854 CB BALA A 116 87.662 3.409 18.654 0.50 23.86 C ATOM 0 H BALA A 116 89.393 1.845 19.342 0.50 23.06 H new ATOM 0 HA BALA A 116 87.523 1.689 17.520 0.50 26.04 H new ATOM 0 HB1BALA A 116 87.027 3.922 18.130 0.50 23.86 H new ATOM 0 HB2BALA A 116 87.213 3.031 19.426 0.50 23.86 H new ATOM 0 HB3BALA A 116 88.380 3.990 18.951 0.50 23.86 H new ATOM 855 N BMET A 117 90.212 2.932 16.548 0.50 31.27 N ATOM 856 CA BMET A 117 90.964 3.477 15.426 0.50 32.81 C ATOM 857 C BMET A 117 91.551 2.415 14.485 0.50 33.17 C ATOM 858 O BMET A 117 92.279 2.764 13.557 0.50 34.49 O ATOM 859 CB BMET A 117 92.109 4.360 15.952 0.50 34.81 C ATOM 860 CG BMET A 117 91.697 5.511 16.860 0.50 36.15 C ATOM 861 SD BMET A 117 90.835 6.837 16.004 0.50 43.51 S ATOM 862 CE BMET A 117 92.222 7.911 15.509 0.50 42.36 C ATOM 0 H BMET A 117 90.701 2.661 17.202 0.50 31.27 H new ATOM 0 HA BMET A 117 90.327 3.990 14.905 0.50 32.81 H new ATOM 0 HB2BMET A 117 92.733 3.796 16.436 0.50 34.81 H new ATOM 0 HB3BMET A 117 92.588 4.726 15.192 0.50 34.81 H new ATOM 0 HG2BMET A 117 91.126 5.167 17.565 0.50 36.15 H new ATOM 0 HG3BMET A 117 92.488 5.874 17.288 0.50 36.15 H new ATOM 0 HE1BMET A 117 91.897 8.814 15.366 0.50 42.36 H new ATOM 0 HE2BMET A 117 92.893 7.916 16.209 0.50 42.36 H new ATOM 0 HE3BMET A 117 92.614 7.575 14.688 0.50 42.36 H new ATOM 863 N BVAL A 118 91.239 1.135 14.709 0.50 33.14 N ATOM 864 CA BVAL A 118 91.776 0.045 13.878 0.50 31.97 C ATOM 865 C BVAL A 118 90.706 -0.893 13.300 0.50 34.51 C ATOM 866 O BVAL A 118 89.647 -1.075 13.896 0.50 33.50 O ATOM 867 CB BVAL A 118 92.783 -0.816 14.696 0.50 31.60 C ATOM 868 CG1BVAL A 118 93.294 -1.978 13.864 0.50 31.31 C ATOM 869 CG2BVAL A 118 93.937 0.047 15.170 0.50 28.92 C ATOM 0 H BVAL A 118 90.716 0.874 15.340 0.50 33.14 H new ATOM 0 HA BVAL A 118 92.210 0.488 13.132 0.50 31.97 H new ATOM 0 HB BVAL A 118 92.325 -1.178 15.470 0.50 31.60 H new ATOM 0 HG11BVAL A 118 93.919 -2.502 14.389 0.50 31.31 H new ATOM 0 HG12BVAL A 118 92.548 -2.538 13.597 0.50 31.31 H new ATOM 0 HG13BVAL A 118 93.742 -1.638 13.074 0.50 31.31 H new ATOM 0 HG21BVAL A 118 94.560 -0.496 15.678 0.50 28.92 H new ATOM 0 HG22BVAL A 118 94.392 0.428 14.403 0.50 28.92 H new ATOM 0 HG23BVAL A 118 93.598 0.761 15.732 0.50 28.92 H new ATOM 870 N BPRO A 119 90.981 -1.511 12.128 0.50 36.01 N ATOM 871 CA BPRO A 119 90.046 -2.434 11.467 0.50 36.18 C ATOM 872 C BPRO A 119 90.109 -3.921 11.866 0.50 37.52 C ATOM 873 O BPRO A 119 90.789 -4.320 12.815 0.50 37.68 O ATOM 874 CB BPRO A 119 90.373 -2.257 9.977 0.50 38.31 C ATOM 875 CG BPRO A 119 91.149 -0.941 9.904 0.50 37.31 C ATOM 876 CD BPRO A 119 91.966 -1.008 11.152 0.50 37.00 C ATOM 0 HA BPRO A 119 89.141 -2.208 11.733 0.50 36.18 H new ATOM 0 HB2BPRO A 119 90.902 -2.997 9.642 0.50 38.31 H new ATOM 0 HB3BPRO A 119 89.565 -2.220 9.441 0.50 38.31 H new ATOM 0 HG2BPRO A 119 91.701 -0.887 9.109 0.50 37.31 H new ATOM 0 HG3BPRO A 119 90.560 -0.170 9.894 0.50 37.31 H new ATOM 0 HD2BPRO A 119 92.724 -1.605 11.059 0.50 37.00 H new ATOM 0 HD3BPRO A 119 92.318 -0.140 11.404 0.50 37.00 H new ATOM 877 N BGLY A 120 89.367 -4.723 11.107 0.50 37.39 N ATOM 878 CA BGLY A 120 89.302 -6.160 11.294 0.50 35.58 C ATOM 879 C BGLY A 120 89.355 -6.767 12.682 0.50 37.18 C ATOM 880 O BGLY A 120 88.985 -6.152 13.692 0.50 38.23 O ATOM 0 H BGLY A 120 88.880 -4.437 10.458 0.50 37.39 H new ATOM 0 HA2BGLY A 120 88.478 -6.464 10.882 0.50 35.58 H new ATOM 0 HA3BGLY A 120 90.033 -6.546 10.786 0.50 35.58 H new ATOM 881 N BILE A 121 89.815 -8.012 12.704 0.50 34.86 N ATOM 882 CA BILE A 121 89.946 -8.795 13.914 0.50 34.34 C ATOM 883 C BILE A 121 90.738 -8.094 15.014 0.50 34.21 C ATOM 884 O BILE A 121 90.406 -8.237 16.196 0.50 35.50 O ATOM 885 CB BILE A 121 90.637 -10.168 13.614 0.50 32.52 C ATOM 886 CG1BILE A 121 90.747 -11.005 14.892 0.50 31.74 C ATOM 887 CG2BILE A 121 92.026 -9.936 13.026 0.50 32.53 C ATOM 888 CD1BILE A 121 91.331 -12.413 14.693 0.50 27.77 C ATOM 0 H BILE A 121 90.065 -8.431 11.996 0.50 34.86 H new ATOM 0 HA BILE A 121 89.039 -8.924 14.234 0.50 34.34 H new ATOM 0 HB BILE A 121 90.095 -10.652 12.971 0.50 32.52 H new ATOM 0 HG12BILE A 121 91.299 -10.527 15.530 0.50 31.74 H new ATOM 0 HG13BILE A 121 89.865 -11.087 15.286 0.50 31.74 H new ATOM 0 HG21BILE A 121 92.447 -10.791 12.843 0.50 32.53 H new ATOM 0 HG22BILE A 121 91.948 -9.431 12.201 0.50 32.53 H new ATOM 0 HG23BILE A 121 92.567 -9.439 13.659 0.50 32.53 H new ATOM 0 HD11BILE A 121 91.366 -12.873 15.546 0.50 27.77 H new ATOM 0 HD12BILE A 121 90.770 -12.913 14.080 0.50 27.77 H new ATOM 0 HD13BILE A 121 92.227 -12.343 14.327 0.50 27.77 H new ATOM 889 N BGLU A 122 91.768 -7.337 14.634 0.50 30.86 N ATOM 890 CA BGLU A 122 92.623 -6.687 15.623 0.50 29.48 C ATOM 891 C BGLU A 122 91.969 -5.754 16.624 0.50 27.53 C ATOM 892 O BGLU A 122 92.328 -5.767 17.804 0.50 25.14 O ATOM 893 CB BGLU A 122 93.774 -5.929 14.961 0.50 30.15 C ATOM 894 CG BGLU A 122 94.729 -5.345 16.005 0.50 32.79 C ATOM 895 CD BGLU A 122 95.918 -4.626 15.406 0.50 34.70 C ATOM 896 OE1BGLU A 122 96.479 -5.132 14.409 0.50 35.87 O ATOM 897 OE2BGLU A 122 96.306 -3.565 15.944 0.50 35.54 O ATOM 0 H BGLU A 122 91.986 -7.189 13.815 0.50 30.86 H new ATOM 0 HA BGLU A 122 92.926 -7.450 16.139 0.50 29.48 H new ATOM 0 HB2BGLU A 122 94.261 -6.526 14.372 0.50 30.15 H new ATOM 0 HB3BGLU A 122 93.419 -5.215 14.409 0.50 30.15 H new ATOM 0 HG2BGLU A 122 94.239 -4.728 16.571 0.50 32.79 H new ATOM 0 HG3BGLU A 122 95.048 -6.061 16.576 0.50 32.79 H new ATOM 898 N BARG A 123 91.037 -4.924 16.169 0.50 26.81 N ATOM 899 CA BARG A 123 90.399 -4.010 17.101 0.50 26.51 C ATOM 900 C BARG A 123 89.737 -4.801 18.216 0.50 26.04 C ATOM 901 O BARG A 123 89.573 -4.308 19.329 0.50 25.97 O ATOM 902 CB BARG A 123 89.396 -3.089 16.384 0.50 27.01 C ATOM 903 CG BARG A 123 88.097 -3.688 15.844 0.50 28.39 C ATOM 904 CD BARG A 123 87.493 -2.649 14.874 0.50 30.20 C ATOM 905 NE BARG A 123 86.130 -2.922 14.428 0.50 30.74 N ATOM 906 CZ BARG A 123 85.794 -3.857 13.547 0.50 30.72 C ATOM 907 NH1BARG A 123 86.724 -4.631 13.003 0.50 29.08 N ATOM 908 NH2BARG A 123 84.524 -4.008 13.200 0.50 29.67 N ATOM 0 H BARG A 123 90.768 -4.875 15.354 0.50 26.81 H new ATOM 0 HA BARG A 123 91.076 -3.435 17.491 0.50 26.51 H new ATOM 0 HB2BARG A 123 89.157 -2.379 17.001 0.50 27.01 H new ATOM 0 HB3BARG A 123 89.859 -2.674 15.639 0.50 27.01 H new ATOM 0 HG2BARG A 123 88.269 -4.526 15.387 0.50 28.39 H new ATOM 0 HG3BARG A 123 87.481 -3.881 16.568 0.50 28.39 H new ATOM 0 HD2BARG A 123 87.507 -1.780 15.306 0.50 30.20 H new ATOM 0 HD3BARG A 123 88.066 -2.587 14.093 0.50 30.20 H new ATOM 0 HE BARG A 123 85.498 -2.442 14.760 0.50 30.74 H new ATOM 0 HH11BARG A 123 87.550 -4.529 13.220 0.50 29.08 H new ATOM 0 HH12BARG A 123 86.501 -5.235 12.433 0.50 29.08 H new ATOM 0 HH21BARG A 123 83.921 -3.501 13.545 0.50 29.67 H new ATOM 0 HH22BARG A 123 84.303 -4.613 12.630 0.50 29.67 H new ATOM 909 N BTYR A 124 89.395 -6.052 17.929 0.50 24.47 N ATOM 910 CA BTYR A 124 88.761 -6.896 18.936 0.50 22.46 C ATOM 911 C BTYR A 124 89.768 -7.453 19.941 0.50 22.52 C ATOM 912 O BTYR A 124 89.393 -7.819 21.056 0.50 22.70 O ATOM 913 CB BTYR A 124 87.995 -8.027 18.250 0.50 23.30 C ATOM 914 CG BTYR A 124 86.746 -7.535 17.545 0.50 23.17 C ATOM 915 CD1BTYR A 124 85.681 -7.010 18.277 0.50 22.33 C ATOM 916 CD2BTYR A 124 86.631 -7.579 16.151 0.50 23.37 C ATOM 917 CE1BTYR A 124 84.529 -6.541 17.649 0.50 23.07 C ATOM 918 CE2BTYR A 124 85.470 -7.106 15.505 0.50 24.18 C ATOM 919 CZ BTYR A 124 84.423 -6.589 16.275 0.50 22.91 C ATOM 920 OH BTYR A 124 83.262 -6.129 15.690 0.50 24.82 O ATOM 0 H BTYR A 124 89.519 -6.429 17.166 0.50 24.47 H new ATOM 0 HA BTYR A 124 88.141 -6.346 19.440 0.50 22.46 H new ATOM 0 HB2BTYR A 124 88.575 -8.464 17.607 0.50 23.30 H new ATOM 0 HB3BTYR A 124 87.749 -8.694 18.910 0.50 23.30 H new ATOM 0 HD1BTYR A 124 85.741 -6.972 19.204 0.50 22.33 H new ATOM 0 HD2BTYR A 124 87.330 -7.925 15.644 0.50 23.37 H new ATOM 0 HE1BTYR A 124 83.831 -6.195 18.157 0.50 23.07 H new ATOM 0 HE2BTYR A 124 85.401 -7.137 14.578 0.50 24.18 H new ATOM 0 HH BTYR A 124 83.318 -6.209 14.856 0.50 24.82 H new ATOM 921 N BALA A 125 91.041 -7.518 19.553 0.50 18.97 N ATOM 922 CA BALA A 125 92.075 -8.002 20.464 0.50 20.10 C ATOM 923 C BALA A 125 92.328 -6.839 21.432 0.50 17.71 C ATOM 924 O BALA A 125 92.529 -7.031 22.634 0.50 15.93 O ATOM 925 CB BALA A 125 93.359 -8.360 19.690 0.50 16.74 C ATOM 0 H BALA A 125 91.324 -7.289 18.774 0.50 18.97 H new ATOM 0 HA BALA A 125 91.802 -8.808 20.929 0.50 20.10 H new ATOM 0 HB1BALA A 125 94.033 -8.679 20.311 0.50 16.74 H new ATOM 0 HB2BALA A 125 93.163 -9.054 19.041 0.50 16.74 H new ATOM 0 HB3BALA A 125 93.690 -7.573 19.230 0.50 16.74 H new ATOM 926 N BLEU A 126 92.291 -5.630 20.889 0.50 17.50 N ATOM 927 CA BLEU A 126 92.488 -4.432 21.690 0.50 17.77 C ATOM 928 C BLEU A 126 91.298 -4.321 22.639 0.50 17.78 C ATOM 929 O BLEU A 126 91.457 -3.966 23.807 0.50 15.99 O ATOM 930 CB BLEU A 126 92.607 -3.202 20.776 0.50 15.99 C ATOM 931 CG BLEU A 126 93.958 -3.149 20.028 0.50 17.63 C ATOM 932 CD1BLEU A 126 93.854 -2.240 18.796 0.50 15.59 C ATOM 933 CD2BLEU A 126 95.063 -2.656 20.985 0.50 13.31 C ATOM 0 H BLEU A 126 92.152 -5.482 20.053 0.50 17.50 H new ATOM 0 HA BLEU A 126 93.310 -4.480 22.203 0.50 17.77 H new ATOM 0 HB2BLEU A 126 91.883 -3.211 20.130 0.50 15.99 H new ATOM 0 HB3BLEU A 126 92.503 -2.397 21.307 0.50 15.99 H new ATOM 0 HG BLEU A 126 94.187 -4.040 19.722 0.50 17.63 H new ATOM 0 HD11BLEU A 126 94.709 -2.217 18.338 0.50 15.59 H new ATOM 0 HD12BLEU A 126 93.175 -2.585 18.196 0.50 15.59 H new ATOM 0 HD13BLEU A 126 93.613 -1.343 19.075 0.50 15.59 H new ATOM 0 HD21BLEU A 126 95.910 -2.624 20.513 0.50 13.31 H new ATOM 0 HD22BLEU A 126 94.840 -1.769 21.308 0.50 13.31 H new ATOM 0 HD23BLEU A 126 95.136 -3.265 21.737 0.50 13.31 H new ATOM 934 N BPHE A 127 90.112 -4.672 22.143 0.50 16.97 N ATOM 935 CA BPHE A 127 88.912 -4.641 22.968 0.50 18.77 C ATOM 936 C BPHE A 127 89.079 -5.585 24.154 0.50 19.98 C ATOM 937 O BPHE A 127 88.777 -5.221 25.299 0.50 20.42 O ATOM 938 CB BPHE A 127 87.677 -5.076 22.178 0.50 17.94 C ATOM 939 CG BPHE A 127 86.434 -5.176 23.023 0.50 21.19 C ATOM 940 CD1BPHE A 127 85.689 -4.035 23.328 0.50 19.92 C ATOM 941 CD2BPHE A 127 86.055 -6.400 23.589 0.50 21.80 C ATOM 942 CE1BPHE A 127 84.594 -4.100 24.180 0.50 20.85 C ATOM 943 CE2BPHE A 127 84.960 -6.481 24.449 0.50 22.08 C ATOM 944 CZ BPHE A 127 84.225 -5.325 24.746 0.50 23.44 C ATOM 0 H BPHE A 127 89.984 -4.930 21.333 0.50 16.97 H new ATOM 0 HA BPHE A 127 88.788 -3.727 23.270 0.50 18.77 H new ATOM 0 HB2BPHE A 127 87.522 -4.444 21.459 0.50 17.94 H new ATOM 0 HB3BPHE A 127 87.851 -5.937 21.766 0.50 17.94 H new ATOM 0 HD1BPHE A 127 85.930 -3.218 22.954 0.50 19.92 H new ATOM 0 HD2BPHE A 127 86.540 -7.168 23.389 0.50 21.80 H new ATOM 0 HE1BPHE A 127 84.108 -3.331 24.374 0.50 20.85 H new ATOM 0 HE2BPHE A 127 84.719 -7.297 24.823 0.50 22.08 H new ATOM 0 HZ BPHE A 127 83.493 -5.372 25.318 0.50 23.44 H new ATOM 945 N BGLY A 128 89.543 -6.803 23.866 0.50 19.00 N ATOM 946 CA BGLY A 128 89.745 -7.791 24.912 0.50 16.91 C ATOM 947 C BGLY A 128 90.724 -7.278 25.951 0.50 15.79 C ATOM 948 O BGLY A 128 90.513 -7.457 27.152 0.50 15.57 O ATOM 0 H BGLY A 128 89.744 -7.071 23.074 0.50 19.00 H new ATOM 0 HA2BGLY A 128 88.897 -7.999 25.335 0.50 16.91 H new ATOM 0 HA3BGLY A 128 90.079 -8.615 24.525 0.50 16.91 H new ATOM 949 N BMET A 129 91.803 -6.643 25.496 0.50 13.28 N ATOM 950 CA BMET A 129 92.772 -6.105 26.439 0.50 14.42 C ATOM 951 C BMET A 129 92.069 -5.169 27.414 0.50 12.87 C ATOM 952 O BMET A 129 92.351 -5.190 28.606 0.50 10.88 O ATOM 953 CB BMET A 129 93.876 -5.341 25.716 0.50 13.30 C ATOM 954 CG BMET A 129 94.847 -4.655 26.671 0.50 17.31 C ATOM 955 SD BMET A 129 96.399 -4.094 25.892 0.50 16.75 S ATOM 956 CE BMET A 129 95.891 -2.689 25.015 0.50 18.93 C ATOM 0 H BMET A 129 91.987 -6.517 24.666 0.50 13.28 H new ATOM 0 HA BMET A 129 93.173 -6.847 26.919 0.50 14.42 H new ATOM 0 HB2BMET A 129 94.368 -5.954 25.147 0.50 13.30 H new ATOM 0 HB3BMET A 129 93.475 -4.675 25.136 0.50 13.30 H new ATOM 0 HG2BMET A 129 94.404 -3.891 27.072 0.50 17.31 H new ATOM 0 HG3BMET A 129 95.062 -5.268 27.391 0.50 17.31 H new ATOM 0 HE1BMET A 129 96.628 -2.358 24.479 0.50 18.93 H new ATOM 0 HE2BMET A 129 95.149 -2.920 24.435 0.50 18.93 H new ATOM 0 HE3BMET A 129 95.611 -2.001 25.639 0.50 18.93 H new ATOM 957 N BGLY A 130 91.140 -4.360 26.898 0.50 11.88 N ATOM 958 CA BGLY A 130 90.415 -3.437 27.752 0.50 14.24 C ATOM 959 C BGLY A 130 89.429 -4.111 28.699 0.50 15.51 C ATOM 960 O BGLY A 130 89.312 -3.730 29.862 0.50 17.07 O ATOM 0 H BGLY A 130 90.922 -4.335 26.067 0.50 11.88 H new ATOM 0 HA2BGLY A 130 91.053 -2.926 28.274 0.50 14.24 H new ATOM 0 HA3BGLY A 130 89.934 -2.806 27.195 0.50 14.24 H new ATOM 961 N BALA A 131 88.713 -5.109 28.199 0.50 16.85 N ATOM 962 CA BALA A 131 87.734 -5.821 29.001 0.50 17.58 C ATOM 963 C BALA A 131 88.403 -6.546 30.162 0.50 19.43 C ATOM 964 O BALA A 131 87.896 -6.530 31.288 0.50 18.48 O ATOM 965 CB BALA A 131 86.962 -6.815 28.125 0.50 17.47 C ATOM 0 H BALA A 131 88.781 -5.390 27.389 0.50 16.85 H new ATOM 0 HA BALA A 131 87.112 -5.175 29.370 0.50 17.58 H new ATOM 0 HB1BALA A 131 86.310 -7.286 28.667 0.50 17.47 H new ATOM 0 HB2BALA A 131 86.506 -6.335 27.416 0.50 17.47 H new ATOM 0 HB3BALA A 131 87.581 -7.453 27.737 0.50 17.47 H new ATOM 966 N BVAL A 132 89.544 -7.181 29.896 0.50 19.06 N ATOM 967 CA BVAL A 132 90.239 -7.898 30.959 0.50 20.10 C ATOM 968 C BVAL A 132 90.758 -6.914 32.015 0.50 18.74 C ATOM 969 O BVAL A 132 90.639 -7.156 33.220 0.50 18.37 O ATOM 970 CB BVAL A 132 91.396 -8.759 30.389 0.50 21.22 C ATOM 971 CG1BVAL A 132 92.187 -9.409 31.526 0.50 22.22 C ATOM 972 CG2BVAL A 132 90.817 -9.847 29.478 0.50 21.10 C ATOM 0 H BVAL A 132 89.924 -7.208 29.125 0.50 19.06 H new ATOM 0 HA BVAL A 132 89.607 -8.499 31.383 0.50 20.10 H new ATOM 0 HB BVAL A 132 91.993 -8.188 29.881 0.50 21.22 H new ATOM 0 HG11BVAL A 132 92.906 -9.944 31.155 0.50 22.22 H new ATOM 0 HG12BVAL A 132 92.559 -8.719 32.097 0.50 22.22 H new ATOM 0 HG13BVAL A 132 91.598 -9.977 32.047 0.50 22.22 H new ATOM 0 HG21BVAL A 132 91.539 -10.387 29.120 0.50 21.10 H new ATOM 0 HG22BVAL A 132 90.215 -10.410 29.989 0.50 21.10 H new ATOM 0 HG23BVAL A 132 90.331 -9.433 28.748 0.50 21.10 H new ATOM 973 N BALA A 133 91.328 -5.806 31.562 0.50 17.14 N ATOM 974 CA BALA A 133 91.816 -4.791 32.481 0.50 16.82 C ATOM 975 C BALA A 133 90.636 -4.323 33.328 0.50 16.96 C ATOM 976 O BALA A 133 90.731 -4.249 34.545 0.50 14.83 O ATOM 977 CB BALA A 133 92.402 -3.625 31.704 0.50 16.13 C ATOM 0 H BALA A 133 91.441 -5.623 30.729 0.50 17.14 H new ATOM 0 HA BALA A 133 92.514 -5.154 33.049 0.50 16.82 H new ATOM 0 HB1BALA A 133 92.725 -2.953 32.324 0.50 16.13 H new ATOM 0 HB2BALA A 133 93.138 -3.939 31.155 0.50 16.13 H new ATOM 0 HB3BALA A 133 91.718 -3.238 31.136 0.50 16.13 H new ATOM 978 N BPHE A 134 89.508 -4.040 32.678 0.50 17.82 N ATOM 979 CA BPHE A 134 88.313 -3.578 33.394 0.50 19.21 C ATOM 980 C BPHE A 134 87.931 -4.573 34.490 0.50 20.06 C ATOM 981 O BPHE A 134 87.710 -4.186 35.644 0.50 20.91 O ATOM 982 CB BPHE A 134 87.149 -3.390 32.406 0.50 17.16 C ATOM 983 CG BPHE A 134 85.858 -2.941 33.045 0.50 19.21 C ATOM 984 CD1BPHE A 134 85.784 -1.740 33.744 0.50 17.43 C ATOM 985 CD2BPHE A 134 84.703 -3.718 32.927 0.50 18.55 C ATOM 986 CE1BPHE A 134 84.583 -1.325 34.314 0.50 20.67 C ATOM 987 CE2BPHE A 134 83.498 -3.306 33.495 0.50 18.65 C ATOM 988 CZ BPHE A 134 83.438 -2.108 34.191 0.50 19.28 C ATOM 0 H BPHE A 134 89.411 -4.108 31.826 0.50 17.82 H new ATOM 0 HA BPHE A 134 88.508 -2.725 33.812 0.50 19.21 H new ATOM 0 HB2BPHE A 134 87.409 -2.739 31.736 0.50 17.16 H new ATOM 0 HB3BPHE A 134 86.994 -4.228 31.942 0.50 17.16 H new ATOM 0 HD1BPHE A 134 86.543 -1.210 33.831 0.50 17.43 H new ATOM 0 HD2BPHE A 134 84.738 -4.523 32.462 0.50 18.55 H new ATOM 0 HE1BPHE A 134 84.545 -0.521 34.779 0.50 20.67 H new ATOM 0 HE2BPHE A 134 82.737 -3.833 33.407 0.50 18.65 H new ATOM 0 HZ BPHE A 134 82.638 -1.829 34.573 0.50 19.28 H new ATOM 989 N BLEU A 135 87.857 -5.855 34.138 0.50 20.30 N ATOM 990 CA BLEU A 135 87.509 -6.870 35.129 0.50 21.47 C ATOM 991 C BLEU A 135 88.467 -6.758 36.318 0.50 21.23 C ATOM 992 O BLEU A 135 88.046 -6.861 37.474 0.50 20.07 O ATOM 993 CB BLEU A 135 87.529 -8.273 34.503 0.50 21.76 C ATOM 994 CG BLEU A 135 86.291 -8.505 33.607 0.50 25.70 C ATOM 995 CD1BLEU A 135 86.242 -9.947 33.051 0.50 26.43 C ATOM 996 CD2BLEU A 135 85.042 -8.240 34.429 0.50 24.55 C ATOM 0 H BLEU A 135 88.002 -6.154 33.345 0.50 20.30 H new ATOM 0 HA BLEU A 135 86.605 -6.720 35.448 0.50 21.47 H new ATOM 0 HB2BLEU A 135 88.337 -8.384 33.977 0.50 21.76 H new ATOM 0 HB3BLEU A 135 87.553 -8.942 35.205 0.50 21.76 H new ATOM 0 HG BLEU A 135 86.344 -7.901 32.850 0.50 25.70 H new ATOM 0 HD11BLEU A 135 85.454 -10.053 32.496 0.50 26.43 H new ATOM 0 HD12BLEU A 135 87.036 -10.117 32.520 0.50 26.43 H new ATOM 0 HD13BLEU A 135 86.205 -10.577 33.788 0.50 26.43 H new ATOM 0 HD21BLEU A 135 84.256 -8.382 33.879 0.50 24.55 H new ATOM 0 HD22BLEU A 135 85.019 -8.845 35.187 0.50 24.55 H new ATOM 0 HD23BLEU A 135 85.052 -7.324 34.747 0.50 24.55 H new ATOM 997 N BGLY A 136 89.744 -6.521 36.029 0.50 20.18 N ATOM 998 CA BGLY A 136 90.713 -6.339 37.095 0.50 20.12 C ATOM 999 C BGLY A 136 90.340 -5.101 37.913 0.50 20.44 C ATOM 1000 O BGLY A 136 90.396 -5.119 39.145 0.50 18.02 O ATOM 0 H BGLY A 136 90.063 -6.463 35.232 0.50 20.18 H new ATOM 0 HA2BGLY A 136 90.732 -7.123 37.666 0.50 20.12 H new ATOM 0 HA3BGLY A 136 91.603 -6.237 36.723 0.50 20.12 H new ATOM 1001 N BLEU A 137 89.951 -4.022 37.235 0.50 19.06 N ATOM 1002 CA BLEU A 137 89.549 -2.800 37.934 0.50 19.72 C ATOM 1003 C BLEU A 137 88.297 -3.039 38.795 0.50 20.26 C ATOM 1004 O BLEU A 137 88.225 -2.569 39.924 0.50 19.36 O ATOM 1005 CB BLEU A 137 89.283 -1.646 36.942 0.50 17.62 C ATOM 1006 CG BLEU A 137 88.751 -0.335 37.561 0.50 16.50 C ATOM 1007 CD1BLEU A 137 89.621 0.082 38.717 0.50 15.34 C ATOM 1008 CD2BLEU A 137 88.738 0.777 36.522 0.50 15.52 C ATOM 0 H BLEU A 137 89.913 -3.976 36.377 0.50 19.06 H new ATOM 0 HA BLEU A 137 90.285 -2.549 38.513 0.50 19.72 H new ATOM 0 HB2BLEU A 137 90.108 -1.450 36.472 0.50 17.62 H new ATOM 0 HB3BLEU A 137 88.645 -1.953 36.279 0.50 17.62 H new ATOM 0 HG BLEU A 137 87.846 -0.492 37.874 0.50 16.50 H new ATOM 0 HD11BLEU A 137 89.279 0.906 39.099 0.50 15.34 H new ATOM 0 HD12BLEU A 137 89.617 -0.614 39.393 0.50 15.34 H new ATOM 0 HD13BLEU A 137 90.529 0.223 38.405 0.50 15.34 H new ATOM 0 HD21BLEU A 137 88.402 1.593 36.925 0.50 15.52 H new ATOM 0 HD22BLEU A 137 89.639 0.926 36.195 0.50 15.52 H new ATOM 0 HD23BLEU A 137 88.165 0.522 35.782 0.50 15.52 H new ATOM 1009 N BVAL A 138 87.313 -3.763 38.268 0.50 21.01 N ATOM 1010 CA BVAL A 138 86.101 -4.042 39.042 0.50 22.72 C ATOM 1011 C BVAL A 138 86.434 -4.806 40.335 0.50 26.09 C ATOM 1012 O BVAL A 138 85.906 -4.485 41.412 0.50 25.22 O ATOM 1013 CB BVAL A 138 85.093 -4.863 38.224 0.50 20.79 C ATOM 1014 CG1BVAL A 138 83.978 -5.371 39.127 0.50 22.96 C ATOM 1015 CG2BVAL A 138 84.514 -4.008 37.121 0.50 19.68 C ATOM 0 H BVAL A 138 87.324 -4.098 37.476 0.50 21.01 H new ATOM 0 HA BVAL A 138 85.706 -3.185 39.267 0.50 22.72 H new ATOM 0 HB BVAL A 138 85.549 -5.624 37.831 0.50 20.79 H new ATOM 0 HG11BVAL A 138 83.347 -5.888 38.602 0.50 22.96 H new ATOM 0 HG12BVAL A 138 84.355 -5.932 39.823 0.50 22.96 H new ATOM 0 HG13BVAL A 138 83.521 -4.618 39.532 0.50 22.96 H new ATOM 0 HG21BVAL A 138 83.878 -4.530 36.607 0.50 19.68 H new ATOM 0 HG22BVAL A 138 84.064 -3.241 37.508 0.50 19.68 H new ATOM 0 HG23BVAL A 138 85.228 -3.704 36.539 0.50 19.68 H new ATOM 1016 N BTYR A 139 87.303 -5.815 40.220 0.50 27.42 N ATOM 1017 CA BTYR A 139 87.735 -6.617 41.371 0.50 29.06 C ATOM 1018 C BTYR A 139 88.422 -5.740 42.427 0.50 29.12 C ATOM 1019 O BTYR A 139 88.220 -5.921 43.633 0.50 29.14 O ATOM 1020 CB BTYR A 139 88.716 -7.716 40.931 0.50 31.13 C ATOM 1021 CG BTYR A 139 89.676 -8.143 42.032 0.50 35.09 C ATOM 1022 CD1BTYR A 139 89.253 -8.956 43.088 0.50 37.32 C ATOM 1023 CD2BTYR A 139 90.997 -7.686 42.044 0.50 36.90 C ATOM 1024 CE1BTYR A 139 90.127 -9.302 44.132 0.50 38.79 C ATOM 1025 CE2BTYR A 139 91.874 -8.018 43.075 0.50 37.46 C ATOM 1026 CZ BTYR A 139 91.435 -8.825 44.118 0.50 39.68 C ATOM 1027 OH BTYR A 139 92.301 -9.133 45.145 0.50 39.10 O ATOM 0 H BTYR A 139 87.658 -6.053 39.474 0.50 27.42 H new ATOM 0 HA BTYR A 139 86.941 -7.021 41.755 0.50 29.06 H new ATOM 0 HB2BTYR A 139 88.212 -8.489 40.632 0.50 31.13 H new ATOM 0 HB3BTYR A 139 89.227 -7.399 40.170 0.50 31.13 H new ATOM 0 HD1BTYR A 139 88.379 -9.273 43.099 0.50 37.32 H new ATOM 0 HD2BTYR A 139 91.298 -7.148 41.348 0.50 36.90 H new ATOM 0 HE1BTYR A 139 89.834 -9.846 44.827 0.50 38.79 H new ATOM 0 HE2BTYR A 139 92.748 -7.701 43.065 0.50 37.46 H new ATOM 0 HH BTYR A 139 93.048 -8.778 44.998 0.50 39.10 H new ATOM 1028 N BTYR A 140 89.259 -4.813 41.975 0.50 27.70 N ATOM 1029 CA BTYR A 140 89.949 -3.929 42.899 0.50 27.35 C ATOM 1030 C BTYR A 140 88.967 -2.995 43.583 0.50 26.56 C ATOM 1031 O BTYR A 140 89.121 -2.694 44.762 0.50 25.78 O ATOM 1032 CB BTYR A 140 91.030 -3.125 42.176 0.50 28.70 C ATOM 1033 CG BTYR A 140 92.394 -3.735 42.355 0.50 30.43 C ATOM 1034 CD1BTYR A 140 93.096 -3.572 43.546 0.50 30.31 C ATOM 1035 CD2BTYR A 140 92.949 -4.546 41.366 0.50 32.23 C ATOM 1036 CE1BTYR A 140 94.315 -4.205 43.755 0.50 31.99 C ATOM 1037 CE2BTYR A 140 94.173 -5.192 41.562 0.50 32.72 C ATOM 1038 CZ BTYR A 140 94.847 -5.017 42.759 0.50 33.49 C ATOM 1039 OH BTYR A 140 96.052 -5.651 42.955 0.50 35.47 O ATOM 0 H BTYR A 140 89.439 -4.682 41.144 0.50 27.70 H new ATOM 0 HA BTYR A 140 90.376 -4.477 43.576 0.50 27.35 H new ATOM 0 HB2BTYR A 140 90.819 -3.076 41.230 0.50 28.70 H new ATOM 0 HB3BTYR A 140 91.036 -2.215 42.512 0.50 28.70 H new ATOM 0 HD1BTYR A 140 92.743 -3.030 44.214 0.50 30.31 H new ATOM 0 HD2BTYR A 140 92.497 -4.659 40.561 0.50 32.23 H new ATOM 0 HE1BTYR A 140 94.772 -4.086 44.556 0.50 31.99 H new ATOM 0 HE2BTYR A 140 94.531 -5.733 40.896 0.50 32.72 H new ATOM 0 HH BTYR A 140 96.245 -6.104 42.274 0.50 35.47 H new ATOM 1040 N BLEU A 141 87.948 -2.561 42.845 0.50 26.25 N ATOM 1041 CA BLEU A 141 86.932 -1.668 43.388 0.50 27.33 C ATOM 1042 C BLEU A 141 86.144 -2.344 44.513 0.50 28.39 C ATOM 1043 O BLEU A 141 85.736 -1.698 45.469 0.50 26.53 O ATOM 1044 CB BLEU A 141 85.965 -1.226 42.283 0.50 26.53 C ATOM 1045 CG BLEU A 141 86.451 -0.190 41.260 0.50 26.95 C ATOM 1046 CD1BLEU A 141 85.414 -0.059 40.169 0.50 25.94 C ATOM 1047 CD2BLEU A 141 86.692 1.163 41.934 0.50 27.00 C ATOM 0 H BLEU A 141 87.828 -2.775 42.021 0.50 26.25 H new ATOM 0 HA BLEU A 141 87.386 -0.892 43.751 0.50 27.33 H new ATOM 0 HB2BLEU A 141 85.692 -2.018 41.794 0.50 26.53 H new ATOM 0 HB3BLEU A 141 85.171 -0.869 42.711 0.50 26.53 H new ATOM 0 HG BLEU A 141 87.292 -0.484 40.877 0.50 26.95 H new ATOM 0 HD11BLEU A 141 85.711 0.594 39.516 0.50 25.94 H new ATOM 0 HD12BLEU A 141 85.291 -0.917 39.734 0.50 25.94 H new ATOM 0 HD13BLEU A 141 84.573 0.231 40.555 0.50 25.94 H new ATOM 0 HD21BLEU A 141 86.998 1.804 41.273 0.50 27.00 H new ATOM 0 HD22BLEU A 141 85.865 1.479 42.331 0.50 27.00 H new ATOM 0 HD23BLEU A 141 87.366 1.065 42.625 0.50 27.00 H new ATOM 1048 N BVAL A 142 85.930 -3.649 44.385 0.50 30.43 N ATOM 1049 CA BVAL A 142 85.180 -4.403 45.386 0.50 31.87 C ATOM 1050 C BVAL A 142 86.071 -4.955 46.486 0.50 32.22 C ATOM 1051 O BVAL A 142 85.803 -4.767 47.671 0.50 33.21 O ATOM 1052 CB BVAL A 142 84.430 -5.595 44.754 0.50 32.31 C ATOM 1053 CG1BVAL A 142 83.706 -6.364 45.838 0.50 33.24 C ATOM 1054 CG2BVAL A 142 83.454 -5.102 43.699 0.50 31.91 C ATOM 0 H BVAL A 142 86.212 -4.120 43.723 0.50 30.43 H new ATOM 0 HA BVAL A 142 84.551 -3.769 45.766 0.50 31.87 H new ATOM 0 HB BVAL A 142 85.067 -6.185 44.321 0.50 32.31 H new ATOM 0 HG11BVAL A 142 83.234 -7.114 45.443 0.50 33.24 H new ATOM 0 HG12BVAL A 142 84.349 -6.692 46.486 0.50 33.24 H new ATOM 0 HG13BVAL A 142 83.071 -5.779 46.281 0.50 33.24 H new ATOM 0 HG21BVAL A 142 82.989 -5.859 43.309 0.50 31.91 H new ATOM 0 HG22BVAL A 142 82.810 -4.503 44.108 0.50 31.91 H new ATOM 0 HG23BVAL A 142 83.939 -4.629 43.005 0.50 31.91 H new ATOM 1055 N BGLY A 143 87.126 -5.654 46.091 0.50 32.53 N ATOM 1056 CA BGLY A 143 88.029 -6.223 47.071 0.50 30.08 C ATOM 1057 C BGLY A 143 88.833 -5.185 47.828 0.50 30.65 C ATOM 1058 O BGLY A 143 88.298 -4.477 48.685 0.50 31.42 O ATOM 0 H BGLY A 143 87.333 -5.808 45.271 0.50 32.53 H new ATOM 0 HA2BGLY A 143 87.517 -6.750 47.704 0.50 30.08 H new ATOM 0 HA3BGLY A 143 88.639 -6.831 46.624 0.50 30.08 H new ATOM 1059 N BPRO A 144 90.132 -5.065 47.516 0.50 30.22 N ATOM 1060 CA BPRO A 144 91.087 -4.132 48.129 0.50 29.54 C ATOM 1061 C BPRO A 144 90.561 -2.721 48.418 0.50 30.00 C ATOM 1062 O BPRO A 144 90.806 -2.164 49.493 0.50 30.18 O ATOM 1063 CB BPRO A 144 92.239 -4.109 47.129 0.50 30.16 C ATOM 1064 CG BPRO A 144 92.225 -5.508 46.579 0.50 30.62 C ATOM 1065 CD BPRO A 144 90.744 -5.770 46.373 0.50 29.16 C ATOM 0 HA BPRO A 144 91.327 -4.434 49.019 0.50 29.54 H new ATOM 0 HB2BPRO A 144 92.100 -3.447 46.434 0.50 30.16 H new ATOM 0 HB3BPRO A 144 93.084 -3.898 47.557 0.50 30.16 H new ATOM 0 HG2BPRO A 144 92.722 -5.574 45.748 0.50 30.62 H new ATOM 0 HG3BPRO A 144 92.621 -6.142 47.197 0.50 30.62 H new ATOM 0 HD2BPRO A 144 90.430 -5.421 45.524 0.50 29.16 H new ATOM 0 HD3BPRO A 144 90.540 -6.718 46.383 0.50 29.16 H new ATOM 1066 N BMET A 145 89.845 -2.134 47.469 0.50 28.13 N ATOM 1067 CA BMET A 145 89.353 -0.784 47.688 0.50 28.94 C ATOM 1068 C BMET A 145 88.270 -0.741 48.764 0.50 29.45 C ATOM 1069 O BMET A 145 88.312 0.101 49.660 0.50 26.93 O ATOM 1070 CB BMET A 145 88.870 -0.188 46.372 0.50 27.97 C ATOM 1071 CG BMET A 145 90.021 0.087 45.419 0.50 29.73 C ATOM 1072 SD BMET A 145 89.508 0.901 43.903 0.50 34.60 S ATOM 1073 CE BMET A 145 89.018 2.536 44.536 0.50 28.15 C ATOM 0 H BMET A 145 89.638 -2.487 46.713 0.50 28.13 H new ATOM 0 HA BMET A 145 90.086 -0.241 48.018 0.50 28.94 H new ATOM 0 HB2BMET A 145 88.242 -0.797 45.953 0.50 27.97 H new ATOM 0 HB3BMET A 145 88.391 0.637 46.547 0.50 27.97 H new ATOM 0 HG2BMET A 145 90.680 0.639 45.868 0.50 29.73 H new ATOM 0 HG3BMET A 145 90.457 -0.751 45.197 0.50 29.73 H new ATOM 0 HE1BMET A 145 89.033 3.181 43.812 0.50 28.15 H new ATOM 0 HE2BMET A 145 88.122 2.485 44.905 0.50 28.15 H new ATOM 0 HE3BMET A 145 89.637 2.814 45.229 0.50 28.15 H new ATOM 1074 N BTHR A 146 87.309 -1.652 48.679 0.50 31.17 N ATOM 1075 CA BTHR A 146 86.265 -1.719 49.684 0.50 32.78 C ATOM 1076 C BTHR A 146 86.921 -2.071 51.020 0.50 35.02 C ATOM 1077 O BTHR A 146 86.516 -1.566 52.063 0.50 35.28 O ATOM 1078 CB BTHR A 146 85.229 -2.774 49.323 0.50 32.35 C ATOM 1079 OG1BTHR A 146 84.576 -2.382 48.109 0.50 31.04 O ATOM 1080 CG2BTHR A 146 84.196 -2.932 50.451 0.50 31.20 C ATOM 0 H BTHR A 146 87.245 -2.236 48.051 0.50 31.17 H new ATOM 0 HA BTHR A 146 85.809 -0.865 49.739 0.50 32.78 H new ATOM 0 HB BTHR A 146 85.671 -3.629 49.201 0.50 32.35 H new ATOM 0 HG1BTHR A 146 85.143 -2.326 47.491 0.50 31.04 H new ATOM 0 HG21BTHR A 146 83.546 -3.607 50.202 0.50 31.20 H new ATOM 0 HG22BTHR A 146 84.646 -3.202 51.267 0.50 31.20 H new ATOM 0 HG23BTHR A 146 83.744 -2.086 50.597 0.50 31.20 H new ATOM 1081 N BGLU A 147 87.941 -2.930 50.982 0.50 36.51 N ATOM 1082 CA BGLU A 147 88.649 -3.289 52.201 0.50 38.56 C ATOM 1083 C BGLU A 147 89.026 -1.958 52.841 0.50 38.57 C ATOM 1084 O BGLU A 147 88.488 -1.580 53.875 0.50 39.43 O ATOM 1085 CB BGLU A 147 89.946 -4.077 51.911 0.50 41.32 C ATOM 1086 CG BGLU A 147 89.790 -5.408 51.166 0.50 45.55 C ATOM 1087 CD BGLU A 147 91.115 -6.179 51.022 0.50 47.34 C ATOM 1088 OE1BGLU A 147 91.126 -7.252 50.373 0.50 47.10 O ATOM 1089 OE2BGLU A 147 92.146 -5.717 51.558 0.50 47.38 O ATOM 0 H BGLU A 147 88.233 -3.310 50.268 0.50 36.51 H new ATOM 0 HA BGLU A 147 88.094 -3.853 52.761 0.50 38.56 H new ATOM 0 HB2BGLU A 147 90.537 -3.508 51.394 0.50 41.32 H new ATOM 0 HB3BGLU A 147 90.389 -4.253 52.756 0.50 41.32 H new ATOM 0 HG2BGLU A 147 89.149 -5.963 51.637 0.50 45.55 H new ATOM 0 HG3BGLU A 147 89.424 -5.238 50.284 0.50 45.55 H new ATOM 1090 N BSER A 148 89.944 -1.245 52.197 0.50 38.21 N ATOM 1091 CA BSER A 148 90.428 0.043 52.684 0.50 36.77 C ATOM 1092 C BSER A 148 89.354 1.032 53.131 0.50 36.84 C ATOM 1093 O BSER A 148 89.561 1.772 54.094 0.50 35.23 O ATOM 1094 CB BSER A 148 91.307 0.697 51.621 0.50 36.20 C ATOM 1095 OG BSER A 148 92.571 0.059 51.556 0.50 37.86 O ATOM 0 H BSER A 148 90.307 -1.497 51.459 0.50 38.21 H new ATOM 0 HA BSER A 148 90.929 -0.168 53.488 0.50 36.77 H new ATOM 0 HB2BSER A 148 90.869 0.647 50.757 0.50 36.20 H new ATOM 0 HB3BSER A 148 91.424 1.638 51.825 0.50 36.20 H new ATOM 0 HG BSER A 148 92.841 0.053 50.761 0.50 37.86 H new ATOM 1096 N BALA A 149 88.221 1.058 52.430 0.50 36.73 N ATOM 1097 CA BALA A 149 87.135 1.970 52.781 0.50 37.60 C ATOM 1098 C BALA A 149 86.498 1.571 54.111 0.50 38.27 C ATOM 1099 O BALA A 149 85.762 2.351 54.717 0.50 37.74 O ATOM 1100 CB BALA A 149 86.077 1.985 51.678 0.50 36.44 C ATOM 0 H BALA A 149 88.062 0.557 51.749 0.50 36.73 H new ATOM 0 HA BALA A 149 87.507 2.861 52.874 0.50 37.60 H new ATOM 0 HB1BALA A 149 85.362 2.594 51.923 0.50 36.44 H new ATOM 0 HB2BALA A 149 86.480 2.279 50.846 0.50 36.44 H new ATOM 0 HB3BALA A 149 85.716 1.092 51.564 0.50 36.44 H new ATOM 1101 N BSER A 150 86.793 0.354 54.558 0.50 39.30 N ATOM 1102 CA BSER A 150 86.255 -0.174 55.809 0.50 40.71 C ATOM 1103 C BSER A 150 86.895 0.484 57.025 0.50 41.46 C ATOM 1104 O BSER A 150 86.276 0.587 58.078 0.50 41.86 O ATOM 1105 CB BSER A 150 86.478 -1.686 55.876 0.50 40.38 C ATOM 1106 OG BSER A 150 86.040 -2.312 54.682 0.50 40.28 O ATOM 0 H BSER A 150 87.313 -0.191 54.143 0.50 39.30 H new ATOM 0 HA BSER A 150 85.306 0.024 55.824 0.50 40.71 H new ATOM 0 HB2BSER A 150 87.419 -1.873 56.018 0.50 40.38 H new ATOM 0 HB3BSER A 150 85.999 -2.055 56.634 0.50 40.38 H new ATOM 0 HG BSER A 150 86.579 -2.140 54.061 0.50 40.28 H new ATOM 1107 N BGLN A 151 88.138 0.926 56.872 0.50 42.10 N ATOM 1108 CA BGLN A 151 88.867 1.575 57.959 0.50 43.63 C ATOM 1109 C BGLN A 151 88.474 3.032 58.226 0.50 42.71 C ATOM 1110 O BGLN A 151 88.904 3.615 59.219 0.50 42.66 O ATOM 1111 CB BGLN A 151 90.373 1.506 57.688 0.50 44.94 C ATOM 1112 CG BGLN A 151 90.994 0.153 57.992 0.50 48.23 C ATOM 1113 CD BGLN A 151 90.783 -0.271 59.440 0.50 49.97 C ATOM 1114 OE1BGLN A 151 89.680 -0.667 59.831 0.50 49.36 O ATOM 1115 NE2BGLN A 151 91.841 -0.178 60.246 0.50 49.34 N ATOM 0 H BGLN A 151 88.582 0.859 56.139 0.50 42.10 H new ATOM 0 HA BGLN A 151 88.623 1.081 58.758 0.50 43.63 H new ATOM 0 HB2BGLN A 151 90.535 1.724 56.757 0.50 44.94 H new ATOM 0 HB3BGLN A 151 90.819 2.183 58.220 0.50 44.94 H new ATOM 0 HG2BGLN A 151 90.611 -0.516 57.403 0.50 48.23 H new ATOM 0 HG3BGLN A 151 91.945 0.187 57.803 0.50 48.23 H new ATOM 0 HE21BGLN A 151 92.593 0.102 59.937 0.50 49.34 H new ATOM 0 HE22BGLN A 151 91.771 -0.398 61.074 0.50 49.34 H new ATOM 1116 N BARG A 152 87.664 3.618 57.348 0.50 41.52 N ATOM 1117 CA BARG A 152 87.246 5.008 57.512 0.50 40.30 C ATOM 1118 C BARG A 152 85.872 5.102 58.180 0.50 40.21 C ATOM 1119 O BARG A 152 85.202 4.086 58.385 0.50 39.94 O ATOM 1120 CB BARG A 152 87.214 5.716 56.152 0.50 40.98 C ATOM 1121 CG BARG A 152 88.475 5.510 55.308 0.50 42.28 C ATOM 1122 CD BARG A 152 88.664 6.625 54.294 0.50 41.16 C ATOM 1123 NE BARG A 152 89.068 7.876 54.928 0.50 41.93 N ATOM 1124 CZ BARG A 152 89.217 9.034 54.290 0.50 43.20 C ATOM 1125 NH1BARG A 152 88.992 9.123 52.984 0.50 42.26 N ATOM 1126 NH2BARG A 152 89.603 10.107 54.962 0.50 42.67 N ATOM 0 H BARG A 152 87.345 3.228 56.651 0.50 41.52 H new ATOM 0 HA BARG A 152 87.893 5.446 58.087 0.50 40.30 H new ATOM 0 HB2BARG A 152 86.446 5.398 55.651 0.50 40.98 H new ATOM 0 HB3BARG A 152 87.085 6.667 56.296 0.50 40.98 H new ATOM 0 HG2BARG A 152 89.250 5.467 55.890 0.50 42.28 H new ATOM 0 HG3BARG A 152 88.420 4.659 54.846 0.50 42.28 H new ATOM 0 HD2BARG A 152 89.335 6.361 53.645 0.50 41.16 H new ATOM 0 HD3BARG A 152 87.836 6.762 53.807 0.50 41.16 H new ATOM 0 HE BARG A 152 89.221 7.864 55.774 0.50 41.93 H new ATOM 0 HH11BARG A 152 88.747 8.427 52.541 0.50 42.26 H new ATOM 0 HH12BARG A 152 89.091 9.876 52.581 0.50 42.26 H new ATOM 0 HH21BARG A 152 89.756 10.053 55.807 0.50 42.67 H new ATOM 0 HH22BARG A 152 89.701 10.858 54.554 0.50 42.67 H new ATOM 1127 N BSER A 153 85.455 6.321 58.511 0.50 38.66 N ATOM 1128 CA BSER A 153 84.170 6.537 59.167 0.50 38.67 C ATOM 1129 C BSER A 153 83.043 5.774 58.486 0.50 37.79 C ATOM 1130 O BSER A 153 83.174 5.328 57.344 0.50 38.52 O ATOM 1131 CB BSER A 153 83.821 8.028 59.186 0.50 39.40 C ATOM 1132 OG BSER A 153 83.377 8.464 57.909 0.50 39.04 O ATOM 0 H BSER A 153 85.904 7.039 58.363 0.50 38.66 H new ATOM 0 HA BSER A 153 84.260 6.205 60.074 0.50 38.67 H new ATOM 0 HB2BSER A 153 83.130 8.193 59.846 0.50 39.40 H new ATOM 0 HB3BSER A 153 84.598 8.542 59.455 0.50 39.40 H new ATOM 0 HG BSER A 153 83.061 9.240 57.972 0.50 39.04 H new ATOM 1133 N BSER A 154 81.931 5.641 59.200 0.50 37.24 N ATOM 1134 CA BSER A 154 80.753 4.945 58.706 0.50 35.63 C ATOM 1135 C BSER A 154 80.237 5.557 57.410 0.50 36.28 C ATOM 1136 O BSER A 154 80.026 4.853 56.423 0.50 38.12 O ATOM 1137 CB BSER A 154 79.646 4.998 59.761 0.50 35.37 C ATOM 1138 OG BSER A 154 78.430 4.466 59.267 0.50 33.09 O ATOM 0 H BSER A 154 81.840 5.957 59.995 0.50 37.24 H new ATOM 0 HA BSER A 154 81.007 4.026 58.527 0.50 35.63 H new ATOM 0 HB2BSER A 154 79.922 4.500 60.546 0.50 35.37 H new ATOM 0 HB3BSER A 154 79.508 5.916 60.041 0.50 35.37 H new ATOM 0 HG BSER A 154 77.842 4.507 59.866 0.50 33.09 H new ATOM 1139 N BGLY A 155 80.038 6.873 57.427 0.50 35.13 N ATOM 1140 CA BGLY A 155 79.526 7.579 56.268 0.50 34.38 C ATOM 1141 C BGLY A 155 80.457 7.617 55.071 0.50 35.13 C ATOM 1142 O BGLY A 155 79.994 7.614 53.933 0.50 33.43 O ATOM 0 H BGLY A 155 80.196 7.374 58.108 0.50 35.13 H new ATOM 0 HA2BGLY A 155 78.692 7.165 55.998 0.50 34.38 H new ATOM 0 HA3BGLY A 155 79.319 8.490 56.528 0.50 34.38 H new ATOM 1143 N BILE A 156 81.762 7.685 55.324 0.50 35.28 N ATOM 1144 CA BILE A 156 82.744 7.702 54.247 0.50 36.05 C ATOM 1145 C BILE A 156 82.771 6.316 53.608 0.50 36.75 C ATOM 1146 O BILE A 156 82.844 6.189 52.389 0.50 36.49 O ATOM 1147 CB BILE A 156 84.152 8.083 54.769 0.50 35.99 C ATOM 1148 CG1BILE A 156 84.193 9.589 55.056 0.50 35.86 C ATOM 1149 CG2BILE A 156 85.223 7.694 53.745 0.50 36.32 C ATOM 1150 CD1BILE A 156 85.519 10.096 55.596 0.50 37.06 C ATOM 0 H BILE A 156 82.098 7.722 56.115 0.50 35.28 H new ATOM 0 HA BILE A 156 82.492 8.373 53.593 0.50 36.05 H new ATOM 0 HB BILE A 156 84.336 7.599 55.590 0.50 35.99 H new ATOM 0 HG12BILE A 156 83.987 10.068 54.238 0.50 35.86 H new ATOM 0 HG13BILE A 156 83.495 9.803 55.694 0.50 35.86 H new ATOM 0 HG21BILE A 156 86.099 7.938 54.084 0.50 36.32 H new ATOM 0 HG22BILE A 156 85.191 6.737 53.591 0.50 36.32 H new ATOM 0 HG23BILE A 156 85.058 8.161 52.911 0.50 36.32 H new ATOM 0 HD11BILE A 156 85.462 11.052 55.750 0.50 37.06 H new ATOM 0 HD12BILE A 156 85.722 9.646 56.431 0.50 37.06 H new ATOM 0 HD13BILE A 156 86.222 9.914 54.952 0.50 37.06 H new ATOM 1151 N BLYS A 157 82.697 5.283 54.441 0.50 37.30 N ATOM 1152 CA BLYS A 157 82.673 3.908 53.955 0.50 36.46 C ATOM 1153 C BLYS A 157 81.354 3.695 53.230 0.50 35.42 C ATOM 1154 O BLYS A 157 81.271 2.896 52.302 0.50 36.65 O ATOM 1155 CB BLYS A 157 82.776 2.919 55.126 0.50 37.28 C ATOM 1156 CG BLYS A 157 82.484 1.455 54.778 0.50 37.21 C ATOM 1157 CD BLYS A 157 83.465 0.911 53.739 0.50 38.12 C ATOM 1158 CE BLYS A 157 83.184 -0.551 53.376 0.50 38.87 C ATOM 1159 NZ BLYS A 157 83.492 -1.519 54.463 0.50 36.52 N ATOM 0 H BLYS A 157 82.660 5.358 55.297 0.50 37.30 H new ATOM 0 HA BLYS A 157 83.425 3.756 53.362 0.50 36.46 H new ATOM 0 HB2BLYS A 157 83.670 2.975 55.499 0.50 37.28 H new ATOM 0 HB3BLYS A 157 82.160 3.199 55.821 0.50 37.28 H new ATOM 0 HG2BLYS A 157 82.533 0.915 55.583 0.50 37.21 H new ATOM 0 HG3BLYS A 157 81.578 1.378 54.439 0.50 37.21 H new ATOM 0 HD2BLYS A 157 83.417 1.455 52.937 0.50 38.12 H new ATOM 0 HD3BLYS A 157 84.369 0.988 54.081 0.50 38.12 H new ATOM 0 HE2BLYS A 157 82.249 -0.640 53.133 0.50 38.87 H new ATOM 0 HE3BLYS A 157 83.704 -0.785 52.591 0.50 38.87 H new ATOM 0 HZ1BLYS A 157 82.920 -2.200 54.425 0.50 36.52 H new ATOM 0 HZ2BLYS A 157 84.322 -1.823 54.363 0.50 36.52 H new ATOM 0 HZ3BLYS A 157 83.418 -1.113 55.252 0.50 36.52 H new ATOM 1160 N BSER A 158 80.325 4.423 53.647 0.50 33.97 N ATOM 1161 CA BSER A 158 79.011 4.279 53.029 0.50 33.84 C ATOM 1162 C BSER A 158 78.832 5.116 51.757 0.50 34.02 C ATOM 1163 O BSER A 158 77.993 4.795 50.915 0.50 33.20 O ATOM 1164 CB BSER A 158 77.914 4.619 54.037 0.50 34.66 C ATOM 1165 OG BSER A 158 76.650 4.250 53.520 0.50 36.86 O ATOM 0 H BSER A 158 80.365 5.002 54.282 0.50 33.97 H new ATOM 0 HA BSER A 158 78.940 3.350 52.758 0.50 33.84 H new ATOM 0 HB2BSER A 158 78.078 4.155 54.873 0.50 34.66 H new ATOM 0 HB3BSER A 158 77.927 5.569 54.232 0.50 34.66 H new ATOM 0 HG BSER A 158 76.052 4.438 54.079 0.50 36.86 H new ATOM 1166 N BLEU A 159 79.601 6.193 51.618 0.50 32.34 N ATOM 1167 CA BLEU A 159 79.510 7.006 50.411 0.50 32.37 C ATOM 1168 C BLEU A 159 80.299 6.268 49.333 0.50 32.35 C ATOM 1169 O BLEU A 159 79.883 6.172 48.177 0.50 31.71 O ATOM 1170 CB BLEU A 159 80.122 8.394 50.634 0.50 31.93 C ATOM 1171 CG BLEU A 159 80.426 9.220 49.376 0.50 31.80 C ATOM 1172 CD1BLEU A 159 79.187 9.308 48.488 0.50 30.53 C ATOM 1173 CD2BLEU A 159 80.909 10.610 49.785 0.50 29.87 C ATOM 0 H BLEU A 159 80.172 6.466 52.200 0.50 32.34 H new ATOM 0 HA BLEU A 159 78.582 7.135 50.158 0.50 32.37 H new ATOM 0 HB2BLEU A 159 79.518 8.906 51.194 0.50 31.93 H new ATOM 0 HB3BLEU A 159 80.947 8.285 51.132 0.50 31.93 H new ATOM 0 HG BLEU A 159 81.127 8.786 48.865 0.50 31.80 H new ATOM 0 HD11BLEU A 159 79.392 9.832 47.698 0.50 30.53 H new ATOM 0 HD12BLEU A 159 78.915 8.416 48.223 0.50 30.53 H new ATOM 0 HD13BLEU A 159 78.466 9.733 48.979 0.50 30.53 H new ATOM 0 HD21BLEU A 159 81.101 11.133 48.991 0.50 29.87 H new ATOM 0 HD22BLEU A 159 80.219 11.053 50.304 0.50 29.87 H new ATOM 0 HD23BLEU A 159 81.714 10.529 50.321 0.50 29.87 H new ATOM 1174 N BTYR A 160 81.450 5.746 49.736 0.50 31.87 N ATOM 1175 CA BTYR A 160 82.301 5.014 48.823 0.50 31.90 C ATOM 1176 C BTYR A 160 81.509 3.881 48.178 0.50 32.18 C ATOM 1177 O BTYR A 160 81.607 3.647 46.973 0.50 31.66 O ATOM 1178 CB BTYR A 160 83.505 4.410 49.549 0.50 29.74 C ATOM 1179 CG BTYR A 160 84.196 3.407 48.663 0.50 31.63 C ATOM 1180 CD1BTYR A 160 85.043 3.828 47.636 0.50 30.75 C ATOM 1181 CD2BTYR A 160 83.877 2.050 48.740 0.50 29.97 C ATOM 1182 CE1BTYR A 160 85.542 2.926 46.699 0.50 29.92 C ATOM 1183 CE2BTYR A 160 84.370 1.144 47.811 0.50 31.36 C ATOM 1184 CZ BTYR A 160 85.199 1.591 46.789 0.50 30.11 C ATOM 1185 OH BTYR A 160 85.656 0.704 45.847 0.50 27.10 O ATOM 0 H BTYR A 160 81.754 5.807 50.538 0.50 31.87 H new ATOM 0 HA BTYR A 160 82.617 5.637 48.150 0.50 31.90 H new ATOM 0 HB2BTYR A 160 84.126 5.112 49.800 0.50 29.74 H new ATOM 0 HB3BTYR A 160 83.215 3.981 50.369 0.50 29.74 H new ATOM 0 HD1BTYR A 160 85.278 4.726 47.576 0.50 30.75 H new ATOM 0 HD2BTYR A 160 83.325 1.748 49.425 0.50 29.97 H new ATOM 0 HE1BTYR A 160 86.102 3.221 46.018 0.50 29.92 H new ATOM 0 HE2BTYR A 160 84.147 0.243 47.872 0.50 31.36 H new ATOM 0 HH BTYR A 160 85.706 -0.063 46.185 0.50 27.10 H new ATOM 1186 N BVAL A 161 80.740 3.173 49.000 0.50 32.31 N ATOM 1187 CA BVAL A 161 79.936 2.048 48.528 0.50 32.45 C ATOM 1188 C BVAL A 161 78.915 2.480 47.493 0.50 31.68 C ATOM 1189 O BVAL A 161 78.757 1.825 46.470 0.50 32.85 O ATOM 1190 CB BVAL A 161 79.224 1.341 49.713 0.50 32.65 C ATOM 1191 CG1BVAL A 161 78.093 0.452 49.208 0.50 32.47 C ATOM 1192 CG2BVAL A 161 80.235 0.498 50.477 0.50 31.18 C ATOM 0 H BVAL A 161 80.669 3.329 49.843 0.50 32.31 H new ATOM 0 HA BVAL A 161 80.544 1.421 48.106 0.50 32.45 H new ATOM 0 HB BVAL A 161 78.847 2.016 50.299 0.50 32.65 H new ATOM 0 HG11BVAL A 161 77.661 0.019 49.961 0.50 32.47 H new ATOM 0 HG12BVAL A 161 77.445 0.993 48.730 0.50 32.47 H new ATOM 0 HG13BVAL A 161 78.453 -0.223 48.611 0.50 32.47 H new ATOM 0 HG21BVAL A 161 79.793 0.055 51.218 0.50 31.18 H new ATOM 0 HG22BVAL A 161 80.616 -0.168 49.883 0.50 31.18 H new ATOM 0 HG23BVAL A 161 80.942 1.069 50.817 0.50 31.18 H new ATOM 1193 N BARG A 162 78.235 3.588 47.766 0.50 32.22 N ATOM 1194 CA BARG A 162 77.223 4.139 46.865 0.50 32.53 C ATOM 1195 C BARG A 162 77.845 4.497 45.511 0.50 32.53 C ATOM 1196 O BARG A 162 77.258 4.243 44.461 0.50 31.83 O ATOM 1197 CB BARG A 162 76.618 5.400 47.484 0.50 33.44 C ATOM 1198 CG BARG A 162 75.281 5.838 46.907 0.50 36.21 C ATOM 1199 CD BARG A 162 74.927 7.256 47.380 0.50 37.22 C ATOM 1200 NE BARG A 162 75.320 7.491 48.772 0.50 37.26 N ATOM 1201 CZ BARG A 162 75.290 8.673 49.384 0.50 36.63 C ATOM 1202 NH1BARG A 162 74.875 9.760 48.738 0.50 35.22 N ATOM 1203 NH2BARG A 162 75.703 8.769 50.645 0.50 33.49 N ATOM 0 H BARG A 162 78.347 4.047 48.485 0.50 32.22 H new ATOM 0 HA BARG A 162 76.534 3.470 46.730 0.50 32.53 H new ATOM 0 HB2BARG A 162 76.509 5.253 48.437 0.50 33.44 H new ATOM 0 HB3BARG A 162 77.251 6.128 47.380 0.50 33.44 H new ATOM 0 HG2BARG A 162 75.318 5.815 45.938 0.50 36.21 H new ATOM 0 HG3BARG A 162 74.587 5.218 47.179 0.50 36.21 H new ATOM 0 HD2BARG A 162 75.366 7.905 46.808 0.50 37.22 H new ATOM 0 HD3BARG A 162 73.972 7.397 47.287 0.50 37.22 H new ATOM 0 HE BARG A 162 75.591 6.814 49.228 0.50 37.26 H new ATOM 0 HH11BARG A 162 74.623 9.703 47.918 0.50 35.22 H new ATOM 0 HH12BARG A 162 74.859 10.520 49.141 0.50 35.22 H new ATOM 0 HH21BARG A 162 75.987 8.071 51.059 0.50 33.49 H new ATOM 0 HH22BARG A 162 75.686 9.529 51.046 0.50 33.49 H new ATOM 1204 N BLEU A 163 79.034 5.094 45.542 0.50 32.32 N ATOM 1205 CA BLEU A 163 79.714 5.486 44.312 0.50 32.84 C ATOM 1206 C BLEU A 163 80.359 4.278 43.636 0.50 32.74 C ATOM 1207 O BLEU A 163 80.566 4.272 42.424 0.50 32.06 O ATOM 1208 CB BLEU A 163 80.772 6.550 44.606 0.50 30.23 C ATOM 1209 CG BLEU A 163 80.231 7.850 45.206 0.50 32.26 C ATOM 1210 CD1BLEU A 163 81.382 8.815 45.495 0.50 28.72 C ATOM 1211 CD2BLEU A 163 79.218 8.477 44.243 0.50 32.18 C ATOM 0 H BLEU A 163 79.463 5.280 46.264 0.50 32.32 H new ATOM 0 HA BLEU A 163 79.053 5.857 43.707 0.50 32.84 H new ATOM 0 HB2BLEU A 163 81.427 6.176 45.216 0.50 30.23 H new ATOM 0 HB3BLEU A 163 81.239 6.759 43.782 0.50 30.23 H new ATOM 0 HG BLEU A 163 79.783 7.658 46.044 0.50 32.26 H new ATOM 0 HD11BLEU A 163 81.029 9.635 45.875 0.50 28.72 H new ATOM 0 HD12BLEU A 163 81.997 8.406 46.124 0.50 28.72 H new ATOM 0 HD13BLEU A 163 81.851 9.016 44.670 0.50 28.72 H new ATOM 0 HD21BLEU A 163 78.876 9.301 44.624 0.50 32.18 H new ATOM 0 HD22BLEU A 163 79.651 8.668 43.397 0.50 32.18 H new ATOM 0 HD23BLEU A 163 78.484 7.859 44.098 0.50 32.18 H new ATOM 1212 N BARG A 164 80.661 3.259 44.433 0.50 32.65 N ATOM 1213 CA BARG A 164 81.277 2.036 43.932 0.50 32.85 C ATOM 1214 C BARG A 164 80.256 1.180 43.172 0.50 32.86 C ATOM 1215 O BARG A 164 80.618 0.453 42.250 0.50 33.65 O ATOM 1216 CB BARG A 164 81.879 1.263 45.111 0.50 33.92 C ATOM 1217 CG BARG A 164 82.732 0.057 44.763 0.50 34.94 C ATOM 1218 CD BARG A 164 81.886 -1.193 44.673 0.50 37.37 C ATOM 1219 NE BARG A 164 81.148 -1.448 45.908 0.50 37.68 N ATOM 1220 CZ BARG A 164 80.087 -2.246 45.980 0.50 40.35 C ATOM 1221 NH1BARG A 164 79.647 -2.859 44.885 0.50 41.01 N ATOM 1222 NH2BARG A 164 79.473 -2.442 47.138 0.50 37.36 N ATOM 0 H BARG A 164 80.514 3.257 45.280 0.50 32.65 H new ATOM 0 HA BARG A 164 81.982 2.263 43.306 0.50 32.85 H new ATOM 0 HB2BARG A 164 82.419 1.877 45.633 0.50 33.92 H new ATOM 0 HB3BARG A 164 81.153 0.967 45.683 0.50 33.92 H new ATOM 0 HG2BARG A 164 83.183 0.208 43.918 0.50 34.94 H new ATOM 0 HG3BARG A 164 83.421 -0.062 45.435 0.50 34.94 H new ATOM 0 HD2BARG A 164 81.261 -1.107 43.936 0.50 37.37 H new ATOM 0 HD3BARG A 164 82.455 -1.953 44.475 0.50 37.37 H new ATOM 0 HE BARG A 164 81.415 -1.061 46.628 0.50 37.68 H new ATOM 0 HH11BARG A 164 80.048 -2.739 44.134 0.50 41.01 H new ATOM 0 HH12BARG A 164 78.961 -3.376 44.928 0.50 41.01 H new ATOM 0 HH21BARG A 164 79.760 -2.052 47.849 0.50 37.36 H new ATOM 0 HH22BARG A 164 78.787 -2.959 47.179 0.50 37.36 H new ATOM 1223 N BASN A 165 78.983 1.280 43.552 0.50 33.04 N ATOM 1224 CA BASN A 165 77.918 0.512 42.898 0.50 32.40 C ATOM 1225 C BASN A 165 77.512 1.139 41.568 0.50 30.94 C ATOM 1226 O BASN A 165 77.288 0.439 40.585 0.50 31.00 O ATOM 1227 CB BASN A 165 76.681 0.403 43.807 0.50 32.83 C ATOM 1228 CG BASN A 165 76.909 -0.509 45.005 0.50 35.83 C ATOM 1229 OD1BASN A 165 77.645 -1.492 44.917 0.50 35.69 O ATOM 1230 ND2BASN A 165 76.262 -0.197 46.126 0.50 37.01 N ATOM 0 H BASN A 165 78.712 1.789 44.190 0.50 33.04 H new ATOM 0 HA BASN A 165 78.271 -0.375 42.729 0.50 32.40 H new ATOM 0 HB2BASN A 165 76.436 1.288 44.121 0.50 32.83 H new ATOM 0 HB3BASN A 165 75.932 0.069 43.289 0.50 32.83 H new ATOM 0 HD21BASN A 165 76.350 -0.690 46.825 0.50 37.01 H new ATOM 0 HD22BASN A 165 75.756 0.498 46.151 0.50 37.01 H new ATOM 1231 N BLEU A 166 77.391 2.463 41.560 0.50 29.43 N ATOM 1232 CA BLEU A 166 77.035 3.204 40.361 0.50 28.79 C ATOM 1233 C BLEU A 166 78.121 2.974 39.293 0.50 26.99 C ATOM 1234 O BLEU A 166 77.830 2.672 38.138 0.50 26.41 O ATOM 1235 CB BLEU A 166 76.948 4.698 40.694 0.50 30.07 C ATOM 1236 CG BLEU A 166 76.499 5.661 39.588 0.50 32.52 C ATOM 1237 CD1BLEU A 166 74.990 5.539 39.386 0.50 31.13 C ATOM 1238 CD2BLEU A 166 76.856 7.086 39.970 0.50 29.53 C ATOM 0 H BLEU A 166 77.514 2.956 42.254 0.50 29.43 H new ATOM 0 HA BLEU A 166 76.177 2.901 40.026 0.50 28.79 H new ATOM 0 HB2BLEU A 166 76.338 4.800 41.442 0.50 30.07 H new ATOM 0 HB3BLEU A 166 77.823 4.985 41.000 0.50 30.07 H new ATOM 0 HG BLEU A 166 76.952 5.434 38.761 0.50 32.52 H new ATOM 0 HD11BLEU A 166 74.707 6.148 38.686 0.50 31.13 H new ATOM 0 HD12BLEU A 166 74.770 4.629 39.131 0.50 31.13 H new ATOM 0 HD13BLEU A 166 74.534 5.762 40.212 0.50 31.13 H new ATOM 0 HD21BLEU A 166 76.570 7.691 39.268 0.50 29.53 H new ATOM 0 HD22BLEU A 166 76.410 7.320 40.799 0.50 29.53 H new ATOM 0 HD23BLEU A 166 77.816 7.159 40.088 0.50 29.53 H new ATOM 1239 N BTHR A 167 79.375 3.111 39.706 0.50 26.72 N ATOM 1240 CA BTHR A 167 80.514 2.941 38.815 0.50 26.39 C ATOM 1241 C BTHR A 167 80.572 1.561 38.166 0.50 27.15 C ATOM 1242 O BTHR A 167 80.621 1.454 36.936 0.50 27.27 O ATOM 1243 CB BTHR A 167 81.833 3.235 39.568 0.50 27.16 C ATOM 1244 OG1BTHR A 167 81.865 4.627 39.933 0.50 28.10 O ATOM 1245 CG2BTHR A 167 83.054 2.911 38.690 0.50 26.21 C ATOM 0 H BTHR A 167 79.590 3.306 40.516 0.50 26.72 H new ATOM 0 HA BTHR A 167 80.398 3.580 38.095 0.50 26.39 H new ATOM 0 HB BTHR A 167 81.869 2.677 40.360 0.50 27.16 H new ATOM 0 HG1BTHR A 167 81.516 4.726 40.690 0.50 28.10 H new ATOM 0 HG21BTHR A 167 83.867 3.103 39.183 0.50 26.21 H new ATOM 0 HG22BTHR A 167 83.038 1.972 38.447 0.50 26.21 H new ATOM 0 HG23BTHR A 167 83.028 3.453 37.886 0.50 26.21 H new ATOM 1246 N BVAL A 168 80.549 0.503 38.972 0.50 26.77 N ATOM 1247 CA BVAL A 168 80.609 -0.843 38.409 0.50 27.96 C ATOM 1248 C BVAL A 168 79.439 -1.130 37.456 0.50 28.26 C ATOM 1249 O BVAL A 168 79.617 -1.770 36.417 0.50 28.29 O ATOM 1250 CB BVAL A 168 80.631 -1.921 39.520 0.50 28.06 C ATOM 1251 CG1BVAL A 168 80.517 -3.316 38.901 0.50 28.42 C ATOM 1252 CG2BVAL A 168 81.924 -1.817 40.317 0.50 27.83 C ATOM 0 H BVAL A 168 80.500 0.540 39.830 0.50 26.77 H new ATOM 0 HA BVAL A 168 81.436 -0.883 37.903 0.50 27.96 H new ATOM 0 HB BVAL A 168 79.877 -1.775 40.113 0.50 28.06 H new ATOM 0 HG11BVAL A 168 80.532 -3.984 39.604 0.50 28.42 H new ATOM 0 HG12BVAL A 168 79.685 -3.384 38.408 0.50 28.42 H new ATOM 0 HG13BVAL A 168 81.262 -3.465 38.298 0.50 28.42 H new ATOM 0 HG21BVAL A 168 81.932 -2.495 41.011 0.50 27.83 H new ATOM 0 HG22BVAL A 168 82.681 -1.952 39.725 0.50 27.83 H new ATOM 0 HG23BVAL A 168 81.984 -0.938 40.723 0.50 27.83 H new ATOM 1253 N BILE A 169 78.255 -0.638 37.804 0.50 27.45 N ATOM 1254 CA BILE A 169 77.064 -0.861 36.992 0.50 27.93 C ATOM 1255 C BILE A 169 77.040 -0.093 35.672 0.50 25.68 C ATOM 1256 O BILE A 169 76.717 -0.651 34.632 0.50 25.19 O ATOM 1257 CB BILE A 169 75.771 -0.505 37.794 0.50 30.47 C ATOM 1258 CG1BILE A 169 75.546 -1.534 38.911 0.50 32.63 C ATOM 1259 CG2BILE A 169 74.560 -0.456 36.861 0.50 29.76 C ATOM 1260 CD1BILE A 169 74.373 -1.203 39.829 0.50 35.11 C ATOM 0 H BILE A 169 78.119 -0.169 38.512 0.50 27.45 H new ATOM 0 HA BILE A 169 77.092 -1.805 36.772 0.50 27.93 H new ATOM 0 HB BILE A 169 75.883 0.371 38.194 0.50 30.47 H new ATOM 0 HG12BILE A 169 75.397 -2.405 38.511 0.50 32.63 H new ATOM 0 HG13BILE A 169 76.354 -1.601 39.444 0.50 32.63 H new ATOM 0 HG21BILE A 169 73.766 -0.234 37.372 0.50 29.76 H new ATOM 0 HG22BILE A 169 74.704 0.219 36.179 0.50 29.76 H new ATOM 0 HG23BILE A 169 74.441 -1.321 36.439 0.50 29.76 H new ATOM 0 HD11BILE A 169 74.289 -1.891 40.508 0.50 35.11 H new ATOM 0 HD12BILE A 169 74.528 -0.346 40.256 0.50 35.11 H new ATOM 0 HD13BILE A 169 73.556 -1.162 39.308 0.50 35.11 H new ATOM 1261 N BLEU A 170 77.372 1.192 35.714 0.50 25.08 N ATOM 1262 CA BLEU A 170 77.336 2.005 34.503 0.50 22.58 C ATOM 1263 C BLEU A 170 78.552 1.850 33.600 0.50 19.46 C ATOM 1264 O BLEU A 170 78.441 2.017 32.398 0.50 19.23 O ATOM 1265 CB BLEU A 170 77.156 3.486 34.859 0.50 22.68 C ATOM 1266 CG BLEU A 170 75.926 3.862 35.674 0.50 24.49 C ATOM 1267 CD1BLEU A 170 76.010 5.335 36.049 0.50 26.03 C ATOM 1268 CD2BLEU A 170 74.663 3.581 34.882 0.50 25.78 C ATOM 0 H BLEU A 170 77.618 1.609 36.424 0.50 25.08 H new ATOM 0 HA BLEU A 170 76.576 1.675 33.998 0.50 22.58 H new ATOM 0 HB2BLEU A 170 77.941 3.775 35.350 0.50 22.68 H new ATOM 0 HB3BLEU A 170 77.135 3.993 34.033 0.50 22.68 H new ATOM 0 HG BLEU A 170 75.896 3.328 36.483 0.50 24.49 H new ATOM 0 HD11BLEU A 170 75.229 5.582 36.569 0.50 26.03 H new ATOM 0 HD12BLEU A 170 76.810 5.490 36.575 0.50 26.03 H new ATOM 0 HD13BLEU A 170 76.044 5.873 35.243 0.50 26.03 H new ATOM 0 HD21BLEU A 170 73.888 3.825 35.412 0.50 25.78 H new ATOM 0 HD22BLEU A 170 74.671 4.102 34.064 0.50 25.78 H new ATOM 0 HD23BLEU A 170 74.621 2.637 34.664 0.50 25.78 H new ATOM 1269 N BTRP A 171 79.712 1.566 34.173 0.50 18.82 N ATOM 1270 CA BTRP A 171 80.908 1.403 33.357 0.50 19.88 C ATOM 1271 C BTRP A 171 80.856 0.069 32.630 0.50 21.10 C ATOM 1272 O BTRP A 171 81.516 -0.098 31.611 0.50 23.74 O ATOM 1273 CB BTRP A 171 82.176 1.448 34.210 0.50 17.32 C ATOM 1274 CG BTRP A 171 82.571 2.800 34.720 0.50 16.95 C ATOM 1275 CD1BTRP A 171 81.739 3.803 35.126 0.50 14.44 C ATOM 1276 CD2BTRP A 171 83.909 3.244 35.010 0.50 16.12 C ATOM 1277 NE1BTRP A 171 82.471 4.841 35.659 0.50 17.70 N ATOM 1278 CE2BTRP A 171 83.806 4.524 35.600 0.50 15.64 C ATOM 1279 CE3BTRP A 171 85.183 2.679 34.831 0.50 15.92 C ATOM 1280 CZ2BTRP A 171 84.925 5.252 36.015 0.50 14.61 C ATOM 1281 CZ3BTRP A 171 86.305 3.405 35.244 0.50 16.93 C ATOM 1282 CH2BTRP A 171 86.163 4.684 35.832 0.50 16.64 C ATOM 0 H BTRP A 171 79.830 1.465 35.019 0.50 18.82 H new ATOM 0 HA BTRP A 171 80.934 2.135 32.721 0.50 19.88 H new ATOM 0 HB2BTRP A 171 82.056 0.857 34.970 0.50 17.32 H new ATOM 0 HB3BTRP A 171 82.911 1.091 33.687 0.50 17.32 H new ATOM 0 HD1BTRP A 171 80.812 3.788 35.053 0.50 14.44 H new ATOM 0 HE1BTRP A 171 82.145 5.570 35.977 0.50 17.70 H new ATOM 0 HE3BTRP A 171 85.278 1.838 34.445 0.50 15.92 H new ATOM 0 HZ2BTRP A 171 84.835 6.093 36.402 0.50 14.61 H new ATOM 0 HZ3BTRP A 171 87.154 3.043 35.131 0.50 16.93 H new ATOM 0 HH2BTRP A 171 86.922 5.149 36.100 0.50 16.64 H new ATOM 1283 N BALA A 172 80.081 -0.883 33.151 0.50 20.52 N ATOM 1284 CA BALA A 172 79.987 -2.194 32.512 0.50 20.14 C ATOM 1285 C BALA A 172 79.164 -2.116 31.241 0.50 20.52 C ATOM 1286 O BALA A 172 79.204 -3.012 30.404 0.50 20.51 O ATOM 1287 CB BALA A 172 79.378 -3.211 33.464 0.50 20.55 C ATOM 0 H BALA A 172 79.608 -0.792 33.864 0.50 20.52 H new ATOM 0 HA BALA A 172 80.885 -2.480 32.282 0.50 20.14 H new ATOM 0 HB1BALA A 172 79.323 -4.074 33.024 0.50 20.55 H new ATOM 0 HB2BALA A 172 79.933 -3.287 34.256 0.50 20.55 H new ATOM 0 HB3BALA A 172 78.488 -2.922 33.720 0.50 20.55 H new ATOM 1288 N BILE A 173 78.421 -1.027 31.100 0.50 20.74 N ATOM 1289 CA BILE A 173 77.587 -0.828 29.929 0.50 21.60 C ATOM 1290 C BILE A 173 78.374 -0.283 28.724 0.50 21.20 C ATOM 1291 O BILE A 173 78.092 -0.652 27.581 0.50 20.33 O ATOM 1292 CB BILE A 173 76.391 0.117 30.271 0.50 22.85 C ATOM 1293 CG1BILE A 173 75.508 -0.533 31.352 0.50 25.03 C ATOM 1294 CG2BILE A 173 75.550 0.378 29.024 0.50 21.59 C ATOM 1295 CD1BILE A 173 74.287 0.285 31.733 0.50 26.01 C ATOM 0 H BILE A 173 78.387 -0.389 31.676 0.50 20.74 H new ATOM 0 HA BILE A 173 77.247 -1.699 29.672 0.50 21.60 H new ATOM 0 HB BILE A 173 76.744 0.959 30.599 0.50 22.85 H new ATOM 0 HG12BILE A 173 75.217 -1.403 31.037 0.50 25.03 H new ATOM 0 HG13BILE A 173 76.044 -0.684 32.146 0.50 25.03 H new ATOM 0 HG21BILE A 173 74.811 0.965 29.249 0.50 21.59 H new ATOM 0 HG22BILE A 173 76.100 0.797 28.344 0.50 21.59 H new ATOM 0 HG23BILE A 173 75.203 -0.462 28.686 0.50 21.59 H new ATOM 0 HD11BILE A 173 73.782 -0.185 32.415 0.50 26.01 H new ATOM 0 HD12BILE A 173 74.569 1.147 32.077 0.50 26.01 H new ATOM 0 HD13BILE A 173 73.728 0.417 30.951 0.50 26.01 H new ATOM 1296 N BTYR A 174 79.365 0.576 28.978 0.50 19.09 N ATOM 1297 CA BTYR A 174 80.162 1.161 27.893 0.50 16.91 C ATOM 1298 C BTYR A 174 80.752 0.111 26.933 0.50 16.84 C ATOM 1299 O BTYR A 174 80.717 0.288 25.717 0.50 16.12 O ATOM 1300 CB BTYR A 174 81.301 2.030 28.462 0.50 15.10 C ATOM 1301 CG BTYR A 174 80.875 3.396 29.005 0.50 13.81 C ATOM 1302 CD1BTYR A 174 80.410 3.542 30.312 0.50 12.54 C ATOM 1303 CD2BTYR A 174 80.997 4.546 28.219 0.50 14.23 C ATOM 1304 CE1BTYR A 174 80.089 4.804 30.833 0.50 13.75 C ATOM 1305 CE2BTYR A 174 80.676 5.807 28.719 0.50 12.60 C ATOM 1306 CZ BTYR A 174 80.228 5.933 30.030 0.50 13.84 C ATOM 1307 OH BTYR A 174 79.969 7.188 30.545 0.50 13.64 O ATOM 0 H BTYR A 174 79.592 0.832 29.767 0.50 19.09 H new ATOM 0 HA BTYR A 174 79.548 1.709 27.379 0.50 16.91 H new ATOM 0 HB2BTYR A 174 81.738 1.538 29.174 0.50 15.10 H new ATOM 0 HB3BTYR A 174 81.962 2.167 27.765 0.50 15.10 H new ATOM 0 HD1BTYR A 174 80.311 2.788 30.848 0.50 12.54 H new ATOM 0 HD2BTYR A 174 81.299 4.468 27.343 0.50 14.23 H new ATOM 0 HE1BTYR A 174 79.786 4.886 31.708 0.50 13.75 H new ATOM 0 HE2BTYR A 174 80.761 6.560 28.179 0.50 12.60 H new ATOM 0 HH BTYR A 174 80.230 7.773 30.002 0.50 13.64 H new ATOM 1308 N BPRO A 175 81.362 -0.965 27.466 0.50 17.67 N ATOM 1309 CA BPRO A 175 81.904 -1.958 26.529 0.50 18.73 C ATOM 1310 C BPRO A 175 80.828 -2.520 25.593 0.50 20.22 C ATOM 1311 O BPRO A 175 81.104 -2.845 24.441 0.50 20.43 O ATOM 1312 CB BPRO A 175 82.530 -3.022 27.452 0.50 19.48 C ATOM 1313 CG BPRO A 175 81.940 -2.731 28.830 0.50 19.82 C ATOM 1314 CD BPRO A 175 81.848 -1.222 28.832 0.50 15.94 C ATOM 0 HA BPRO A 175 82.556 -1.585 25.915 0.50 18.73 H new ATOM 0 HB2BPRO A 175 82.310 -3.919 27.156 0.50 19.48 H new ATOM 0 HB3BPRO A 175 83.498 -2.956 27.461 0.50 19.48 H new ATOM 0 HG2BPRO A 175 81.071 -3.146 28.946 0.50 19.82 H new ATOM 0 HG3BPRO A 175 82.509 -3.059 29.544 0.50 19.82 H new ATOM 0 HD2BPRO A 175 81.234 -0.893 29.507 0.50 15.94 H new ATOM 0 HD3BPRO A 175 82.706 -0.803 29.001 0.50 15.94 H new ATOM 1315 N BPHE A 176 79.596 -2.620 26.089 0.50 22.60 N ATOM 1316 CA BPHE A 176 78.482 -3.113 25.280 0.50 23.08 C ATOM 1317 C BPHE A 176 78.121 -2.131 24.175 0.50 22.17 C ATOM 1318 O BPHE A 176 77.760 -2.539 23.076 0.50 21.54 O ATOM 1319 CB BPHE A 176 77.260 -3.381 26.164 0.50 27.54 C ATOM 1320 CG BPHE A 176 77.316 -4.706 26.860 0.50 31.49 C ATOM 1321 CD1BPHE A 176 76.691 -5.821 26.307 0.50 33.75 C ATOM 1322 CD2BPHE A 176 78.060 -4.857 28.026 0.50 32.40 C ATOM 1323 CE1BPHE A 176 76.810 -7.077 26.903 0.50 35.73 C ATOM 1324 CE2BPHE A 176 78.190 -6.098 28.628 0.50 35.91 C ATOM 1325 CZ BPHE A 176 77.562 -7.218 28.063 0.50 36.93 C ATOM 0 H BPHE A 176 79.384 -2.407 26.895 0.50 22.60 H new ATOM 0 HA BPHE A 176 78.763 -3.943 24.864 0.50 23.08 H new ATOM 0 HB2BPHE A 176 77.187 -2.677 26.827 0.50 27.54 H new ATOM 0 HB3BPHE A 176 76.459 -3.342 25.619 0.50 27.54 H new ATOM 0 HD1BPHE A 176 76.188 -5.727 25.530 0.50 33.75 H new ATOM 0 HD2BPHE A 176 78.475 -4.116 28.406 0.50 32.40 H new ATOM 0 HE1BPHE A 176 76.389 -7.815 26.526 0.50 35.73 H new ATOM 0 HE2BPHE A 176 78.693 -6.188 29.405 0.50 35.91 H new ATOM 0 HZ BPHE A 176 77.649 -8.053 28.464 0.50 36.93 H new ATOM 1326 N BILE A 177 78.212 -0.836 24.462 0.50 20.11 N ATOM 1327 CA BILE A 177 77.907 0.148 23.437 0.50 21.72 C ATOM 1328 C BILE A 177 79.066 0.177 22.425 0.50 20.95 C ATOM 1329 O BILE A 177 78.860 0.408 21.236 0.50 20.73 O ATOM 1330 CB BILE A 177 77.674 1.552 24.053 0.50 22.10 C ATOM 1331 CG1BILE A 177 76.459 1.502 24.991 0.50 23.31 C ATOM 1332 CG2BILE A 177 77.400 2.572 22.946 0.50 22.54 C ATOM 1333 CD1BILE A 177 76.211 2.776 25.769 0.50 22.90 C ATOM 0 H BILE A 177 78.443 -0.514 25.225 0.50 20.11 H new ATOM 0 HA BILE A 177 77.085 -0.102 22.987 0.50 21.72 H new ATOM 0 HB BILE A 177 78.467 1.814 24.546 0.50 22.10 H new ATOM 0 HG12BILE A 177 75.669 1.298 24.467 0.50 23.31 H new ATOM 0 HG13BILE A 177 76.579 0.772 25.618 0.50 23.31 H new ATOM 0 HG21BILE A 177 77.256 3.447 23.340 0.50 22.54 H new ATOM 0 HG22BILE A 177 78.161 2.610 22.345 0.50 22.54 H new ATOM 0 HG23BILE A 177 76.610 2.307 22.450 0.50 22.54 H new ATOM 0 HD11BILE A 177 75.431 2.663 26.334 0.50 22.90 H new ATOM 0 HD12BILE A 177 76.984 2.974 26.321 0.50 22.90 H new ATOM 0 HD13BILE A 177 76.059 3.508 25.151 0.50 22.90 H new ATOM 1334 N BTRP A 178 80.281 -0.073 22.904 0.50 20.08 N ATOM 1335 CA BTRP A 178 81.451 -0.110 22.029 0.50 19.02 C ATOM 1336 C BTRP A 178 81.239 -1.303 21.088 0.50 18.66 C ATOM 1337 O BTRP A 178 81.360 -1.187 19.870 0.50 17.65 O ATOM 1338 CB BTRP A 178 82.721 -0.319 22.870 0.50 16.79 C ATOM 1339 CG BTRP A 178 84.027 -0.166 22.131 0.50 19.45 C ATOM 1340 CD1BTRP A 178 84.871 0.915 22.166 0.50 17.63 C ATOM 1341 CD2BTRP A 178 84.650 -1.132 21.265 0.50 18.32 C ATOM 1342 NE1BTRP A 178 85.976 0.678 21.384 0.50 19.06 N ATOM 1343 CE2BTRP A 178 85.865 -0.566 20.817 0.50 20.22 C ATOM 1344 CE3BTRP A 178 84.297 -2.418 20.825 0.50 19.40 C ATOM 1345 CZ2BTRP A 178 86.732 -1.244 19.945 0.50 20.42 C ATOM 1346 CZ3BTRP A 178 85.160 -3.094 19.957 0.50 19.91 C ATOM 1347 CH2BTRP A 178 86.365 -2.501 19.528 0.50 20.23 C ATOM 0 H BTRP A 178 80.450 -0.224 23.733 0.50 20.08 H new ATOM 0 HA BTRP A 178 81.556 0.717 21.533 0.50 19.02 H new ATOM 0 HB2BTRP A 178 82.709 0.312 23.606 0.50 16.79 H new ATOM 0 HB3BTRP A 178 82.690 -1.208 23.258 0.50 16.79 H new ATOM 0 HD1BTRP A 178 84.718 1.695 22.649 0.50 17.63 H new ATOM 0 HE1BTRP A 178 86.632 1.222 21.269 0.50 19.06 H new ATOM 0 HE3BTRP A 178 83.503 -2.813 21.106 0.50 19.40 H new ATOM 0 HZ2BTRP A 178 87.527 -0.856 19.659 0.50 20.42 H new ATOM 0 HZ3BTRP A 178 84.936 -3.946 19.659 0.50 19.91 H new ATOM 0 HH2BTRP A 178 86.923 -2.970 18.951 0.50 20.23 H new ATOM 1348 N BLEU A 179 80.893 -2.451 21.661 0.50 19.38 N ATOM 1349 CA BLEU A 179 80.679 -3.652 20.853 0.50 22.48 C ATOM 1350 C BLEU A 179 79.488 -3.573 19.893 0.50 22.43 C ATOM 1351 O BLEU A 179 79.596 -3.961 18.730 0.50 23.19 O ATOM 1352 CB BLEU A 179 80.504 -4.879 21.754 0.50 23.47 C ATOM 1353 CG BLEU A 179 81.734 -5.465 22.449 0.50 26.07 C ATOM 1354 CD1BLEU A 179 81.278 -6.585 23.393 0.50 28.41 C ATOM 1355 CD2BLEU A 179 82.729 -6.011 21.414 0.50 25.52 C ATOM 0 H BLEU A 179 80.777 -2.558 22.506 0.50 19.38 H new ATOM 0 HA BLEU A 179 81.475 -3.728 20.304 0.50 22.48 H new ATOM 0 HB2BLEU A 179 79.860 -4.649 22.442 0.50 23.47 H new ATOM 0 HB3BLEU A 179 80.107 -5.583 21.218 0.50 23.47 H new ATOM 0 HG BLEU A 179 82.183 -4.770 22.956 0.50 26.07 H new ATOM 0 HD11BLEU A 179 82.050 -6.966 23.841 0.50 28.41 H new ATOM 0 HD12BLEU A 179 80.667 -6.223 24.054 0.50 28.41 H new ATOM 0 HD13BLEU A 179 80.828 -7.276 22.882 0.50 28.41 H new ATOM 0 HD21BLEU A 179 83.502 -6.378 21.870 0.50 25.52 H new ATOM 0 HD22BLEU A 179 82.302 -6.707 20.890 0.50 25.52 H new ATOM 0 HD23BLEU A 179 83.012 -5.293 20.827 0.50 25.52 H new ATOM 1356 N BLEU A 180 78.351 -3.086 20.377 0.50 22.46 N ATOM 1357 CA BLEU A 180 77.160 -3.005 19.534 0.50 23.75 C ATOM 1358 C BLEU A 180 77.167 -1.802 18.601 0.50 24.39 C ATOM 1359 O BLEU A 180 76.417 -1.762 17.619 0.50 24.50 O ATOM 1360 CB BLEU A 180 75.899 -2.969 20.409 0.50 23.66 C ATOM 1361 CG BLEU A 180 75.550 -4.286 21.111 0.50 27.51 C ATOM 1362 CD1BLEU A 180 74.375 -4.080 22.060 0.50 26.69 C ATOM 1363 CD2BLEU A 180 75.215 -5.358 20.062 0.50 27.37 C ATOM 0 H BLEU A 180 78.246 -2.800 21.181 0.50 22.46 H new ATOM 0 HA BLEU A 180 77.162 -3.798 18.976 0.50 23.75 H new ATOM 0 HB2BLEU A 180 76.011 -2.280 21.083 0.50 23.66 H new ATOM 0 HB3BLEU A 180 75.147 -2.705 19.856 0.50 23.66 H new ATOM 0 HG BLEU A 180 76.313 -4.584 21.630 0.50 27.51 H new ATOM 0 HD11BLEU A 180 74.162 -4.919 22.499 0.50 26.69 H new ATOM 0 HD12BLEU A 180 74.610 -3.417 22.728 0.50 26.69 H new ATOM 0 HD13BLEU A 180 73.604 -3.773 21.558 0.50 26.69 H new ATOM 0 HD21BLEU A 180 74.995 -6.190 20.509 0.50 27.37 H new ATOM 0 HD22BLEU A 180 74.458 -5.066 19.531 0.50 27.37 H new ATOM 0 HD23BLEU A 180 75.981 -5.495 19.483 0.50 27.37 H new ATOM 1364 N BGLY A 181 78.017 -0.826 18.912 0.50 22.10 N ATOM 1365 CA BGLY A 181 78.092 0.378 18.107 0.50 20.17 C ATOM 1366 C BGLY A 181 79.073 0.378 16.949 0.50 18.11 C ATOM 1367 O BGLY A 181 79.567 -0.672 16.555 0.50 17.09 O ATOM 0 H BGLY A 181 78.555 -0.846 19.583 0.50 22.10 H new ATOM 0 HA2BGLY A 181 77.207 0.558 17.752 0.50 20.17 H new ATOM 0 HA3BGLY A 181 78.318 1.118 18.693 0.50 20.17 H new ATOM 1368 N BPRO A 182 79.341 1.560 16.364 0.50 18.91 N ATOM 1369 CA BPRO A 182 80.251 1.801 15.234 0.50 21.32 C ATOM 1370 C BPRO A 182 81.637 1.166 15.371 0.50 23.25 C ATOM 1371 O BPRO A 182 82.172 0.629 14.402 0.50 23.07 O ATOM 1372 CB BPRO A 182 80.317 3.327 15.166 0.50 20.96 C ATOM 1373 CG BPRO A 182 78.911 3.723 15.562 0.50 20.12 C ATOM 1374 CD BPRO A 182 78.635 2.806 16.737 0.50 19.63 C ATOM 0 HA BPRO A 182 79.922 1.383 14.423 0.50 21.32 H new ATOM 0 HB2BPRO A 182 80.981 3.689 15.774 0.50 20.96 H new ATOM 0 HB3BPRO A 182 80.546 3.641 14.277 0.50 20.96 H new ATOM 0 HG2BPRO A 182 78.856 4.658 15.812 0.50 20.12 H new ATOM 0 HG3BPRO A 182 78.279 3.585 14.839 0.50 20.12 H new ATOM 0 HD2BPRO A 182 78.974 3.175 17.567 0.50 19.63 H new ATOM 0 HD3BPRO A 182 77.684 2.657 16.860 0.50 19.63 H new ATOM 1375 N BPRO A 183 82.237 1.224 16.573 0.50 23.43 N ATOM 1376 CA BPRO A 183 83.564 0.631 16.770 0.50 24.13 C ATOM 1377 C BPRO A 183 83.528 -0.879 16.610 0.50 25.13 C ATOM 1378 O BPRO A 183 84.541 -1.498 16.272 0.50 27.35 O ATOM 1379 CB BPRO A 183 83.918 1.025 18.206 0.50 25.16 C ATOM 1380 CG BPRO A 183 83.152 2.304 18.418 0.50 25.62 C ATOM 1381 CD BPRO A 183 81.822 1.987 17.764 0.50 23.52 C ATOM 0 HA BPRO A 183 84.213 0.941 16.119 0.50 24.13 H new ATOM 0 HB2BPRO A 183 83.653 0.340 18.840 0.50 25.16 H new ATOM 0 HB3BPRO A 183 84.873 1.158 18.315 0.50 25.16 H new ATOM 0 HG2BPRO A 183 83.052 2.516 19.359 0.50 25.62 H new ATOM 0 HG3BPRO A 183 83.590 3.063 18.001 0.50 25.62 H new ATOM 0 HD2BPRO A 183 81.247 1.466 18.346 0.50 23.52 H new ATOM 0 HD3BPRO A 183 81.333 2.791 17.528 0.50 23.52 H new ATOM 1382 N BGLY A 184 82.359 -1.467 16.859 0.50 25.71 N ATOM 1383 CA BGLY A 184 82.207 -2.913 16.778 0.50 26.80 C ATOM 1384 C BGLY A 184 81.480 -3.448 15.556 0.50 28.67 C ATOM 1385 O BGLY A 184 81.948 -3.287 14.434 0.50 29.85 O ATOM 0 H BGLY A 184 81.643 -1.044 17.076 0.50 25.71 H new ATOM 0 HA2BGLY A 184 83.090 -3.314 16.806 0.50 26.80 H new ATOM 0 HA3BGLY A 184 81.734 -3.214 17.569 0.50 26.80 H new ATOM 1386 N BVAL A 185 80.332 -4.089 15.769 0.50 30.22 N ATOM 1387 CA BVAL A 185 79.572 -4.664 14.661 0.50 29.89 C ATOM 1388 C BVAL A 185 78.652 -3.644 14.005 0.50 30.79 C ATOM 1389 O BVAL A 185 77.993 -3.937 13.017 0.50 32.35 O ATOM 1390 CB BVAL A 185 78.747 -5.892 15.121 0.50 30.33 C ATOM 1391 CG1BVAL A 185 79.679 -6.920 15.761 0.50 29.95 C ATOM 1392 CG2BVAL A 185 77.656 -5.475 16.105 0.50 30.55 C ATOM 0 H BVAL A 185 79.977 -4.202 16.544 0.50 30.22 H new ATOM 0 HA BVAL A 185 80.224 -4.950 14.002 0.50 29.89 H new ATOM 0 HB BVAL A 185 78.315 -6.288 14.348 0.50 30.33 H new ATOM 0 HG11BVAL A 185 79.163 -7.689 16.049 0.50 29.95 H new ATOM 0 HG12BVAL A 185 80.344 -7.201 15.113 0.50 29.95 H new ATOM 0 HG13BVAL A 185 80.122 -6.523 16.527 0.50 29.95 H new ATOM 0 HG21BVAL A 185 77.152 -6.257 16.380 0.50 30.55 H new ATOM 0 HG22BVAL A 185 78.062 -5.062 16.883 0.50 30.55 H new ATOM 0 HG23BVAL A 185 77.060 -4.841 15.678 0.50 30.55 H new ATOM 1393 N BALA A 186 78.606 -2.447 14.571 0.50 29.37 N ATOM 1394 CA BALA A 186 77.808 -1.368 14.018 0.50 29.33 C ATOM 1395 C BALA A 186 76.300 -1.619 13.866 0.50 29.19 C ATOM 1396 O BALA A 186 75.719 -1.275 12.836 0.50 28.81 O ATOM 1397 CB BALA A 186 78.399 -0.943 12.679 0.50 27.97 C ATOM 0 H BALA A 186 79.036 -2.238 15.286 0.50 29.37 H new ATOM 0 HA BALA A 186 77.857 -0.666 14.685 0.50 29.33 H new ATOM 0 HB1BALA A 186 77.869 -0.222 12.305 0.50 27.97 H new ATOM 0 HB2BALA A 186 79.311 -0.639 12.809 0.50 27.97 H new ATOM 0 HB3BALA A 186 78.394 -1.697 12.069 0.50 27.97 H new ATOM 1398 N BLEU A 187 75.677 -2.209 14.885 0.50 27.36 N ATOM 1399 CA BLEU A 187 74.235 -2.442 14.876 0.50 27.70 C ATOM 1400 C BLEU A 187 73.546 -1.132 15.310 0.50 27.76 C ATOM 1401 O BLEU A 187 72.452 -0.809 14.846 0.50 27.34 O ATOM 1402 CB BLEU A 187 73.873 -3.585 15.832 0.50 28.22 C ATOM 1403 CG BLEU A 187 74.449 -4.954 15.439 0.50 29.37 C ATOM 1404 CD1BLEU A 187 74.045 -6.012 16.450 0.50 30.98 C ATOM 1405 CD2BLEU A 187 73.957 -5.337 14.049 0.50 31.07 C ATOM 0 H BLEU A 187 76.076 -2.483 15.596 0.50 27.36 H new ATOM 0 HA BLEU A 187 73.939 -2.699 13.989 0.50 27.70 H new ATOM 0 HB2BLEU A 187 74.187 -3.359 16.721 0.50 28.22 H new ATOM 0 HB3BLEU A 187 72.907 -3.656 15.881 0.50 28.22 H new ATOM 0 HG BLEU A 187 75.417 -4.896 15.430 0.50 29.37 H new ATOM 0 HD11BLEU A 187 74.416 -6.869 16.188 0.50 30.98 H new ATOM 0 HD12BLEU A 187 74.383 -5.768 17.326 0.50 30.98 H new ATOM 0 HD13BLEU A 187 73.078 -6.076 16.483 0.50 30.98 H new ATOM 0 HD21BLEU A 187 74.322 -6.201 13.803 0.50 31.07 H new ATOM 0 HD22BLEU A 187 72.988 -5.384 14.050 0.50 31.07 H new ATOM 0 HD23BLEU A 187 74.247 -4.670 13.408 0.50 31.07 H new ATOM 1406 N BLEU A 188 74.192 -0.385 16.205 0.50 25.67 N ATOM 1407 CA BLEU A 188 73.662 0.903 16.654 0.50 25.00 C ATOM 1408 C BLEU A 188 74.130 1.934 15.630 0.50 25.45 C ATOM 1409 O BLEU A 188 75.256 1.855 15.157 0.50 27.07 O ATOM 1410 CB BLEU A 188 74.221 1.279 18.030 0.50 21.96 C ATOM 1411 CG BLEU A 188 74.014 0.342 19.224 0.50 21.86 C ATOM 1412 CD1BLEU A 188 74.719 0.943 20.427 0.50 18.73 C ATOM 1413 CD2BLEU A 188 72.528 0.144 19.514 0.50 20.28 C ATOM 0 H BLEU A 188 74.941 -0.607 16.565 0.50 25.67 H new ATOM 0 HA BLEU A 188 72.696 0.865 16.728 0.50 25.00 H new ATOM 0 HB2BLEU A 188 75.177 1.408 17.927 0.50 21.96 H new ATOM 0 HB3BLEU A 188 73.842 2.139 18.270 0.50 21.96 H new ATOM 0 HG BLEU A 188 74.386 -0.531 19.022 0.50 21.86 H new ATOM 0 HD11BLEU A 188 74.599 0.363 21.195 0.50 18.73 H new ATOM 0 HD12BLEU A 188 75.666 1.034 20.235 0.50 18.73 H new ATOM 0 HD13BLEU A 188 74.343 1.816 20.620 0.50 18.73 H new ATOM 0 HD21BLEU A 188 72.423 -0.452 20.272 0.50 20.28 H new ATOM 0 HD22BLEU A 188 72.121 1.001 19.717 0.50 20.28 H new ATOM 0 HD23BLEU A 188 72.095 -0.243 18.737 0.50 20.28 H new ATOM 1414 N BTHR A 189 73.276 2.886 15.272 0.50 25.87 N ATOM 1415 CA BTHR A 189 73.665 3.912 14.306 0.50 25.76 C ATOM 1416 C BTHR A 189 74.474 4.986 15.017 0.50 25.05 C ATOM 1417 O BTHR A 189 74.507 5.030 16.244 0.50 23.72 O ATOM 1418 CB BTHR A 189 72.438 4.593 13.662 0.50 26.59 C ATOM 1419 OG1BTHR A 189 71.606 5.137 14.691 0.50 22.98 O ATOM 1420 CG2BTHR A 189 71.661 3.606 12.809 0.50 25.95 C ATOM 0 H BTHR A 189 72.473 2.958 15.572 0.50 25.87 H new ATOM 0 HA BTHR A 189 74.182 3.476 13.611 0.50 25.76 H new ATOM 0 HB BTHR A 189 72.739 5.310 13.082 0.50 26.59 H new ATOM 0 HG1BTHR A 189 71.070 5.689 14.355 0.50 22.98 H new ATOM 0 HG21BTHR A 189 70.896 4.052 12.414 0.50 25.95 H new ATOM 0 HG22BTHR A 189 72.235 3.265 12.105 0.50 25.95 H new ATOM 0 HG23BTHR A 189 71.356 2.870 13.362 0.50 25.95 H new ATOM 1421 N BPRO A 190 75.114 5.891 14.252 0.50 25.94 N ATOM 1422 CA BPRO A 190 75.921 6.959 14.857 0.50 25.47 C ATOM 1423 C BPRO A 190 75.115 7.866 15.783 0.50 24.17 C ATOM 1424 O BPRO A 190 75.616 8.318 16.808 0.50 22.62 O ATOM 1425 CB BPRO A 190 76.469 7.718 13.641 0.50 26.39 C ATOM 1426 CG BPRO A 190 76.504 6.669 12.570 0.50 27.13 C ATOM 1427 CD BPRO A 190 75.184 5.958 12.783 0.50 25.55 C ATOM 0 HA BPRO A 190 76.617 6.609 15.435 0.50 25.47 H new ATOM 0 HB2BPRO A 190 75.897 8.462 13.395 0.50 26.39 H new ATOM 0 HB3BPRO A 190 77.351 8.083 13.814 0.50 26.39 H new ATOM 0 HG2BPRO A 190 76.568 7.057 11.683 0.50 27.13 H new ATOM 0 HG3BPRO A 190 77.260 6.070 12.673 0.50 27.13 H new ATOM 0 HD2BPRO A 190 74.439 6.452 12.405 0.50 25.55 H new ATOM 0 HD3BPRO A 190 75.175 5.077 12.377 0.50 25.55 H new ATOM 1428 N BTHR A 191 73.872 8.142 15.408 0.50 24.37 N ATOM 1429 CA BTHR A 191 73.014 8.998 16.219 0.50 24.62 C ATOM 1430 C BTHR A 191 72.641 8.306 17.523 0.50 23.90 C ATOM 1431 O BTHR A 191 72.772 8.871 18.608 0.50 23.26 O ATOM 1432 CB BTHR A 191 71.728 9.376 15.447 0.50 26.64 C ATOM 1433 OG1BTHR A 191 72.034 10.402 14.495 0.50 27.35 O ATOM 1434 CG2BTHR A 191 70.638 9.870 16.399 0.50 26.57 C ATOM 0 H BTHR A 191 73.506 7.845 14.689 0.50 24.37 H new ATOM 0 HA BTHR A 191 73.509 9.807 16.421 0.50 24.62 H new ATOM 0 HB BTHR A 191 71.398 8.585 14.992 0.50 26.64 H new ATOM 0 HG1BTHR A 191 71.338 10.609 14.073 0.50 27.35 H new ATOM 0 HG21BTHR A 191 69.844 10.100 15.891 0.50 26.57 H new ATOM 0 HG22BTHR A 191 70.423 9.170 17.036 0.50 26.57 H new ATOM 0 HG23BTHR A 191 70.955 10.653 16.875 0.50 26.57 H new ATOM 1435 N BVAL A 192 72.177 7.070 17.417 0.50 24.04 N ATOM 1436 CA BVAL A 192 71.801 6.330 18.604 0.50 22.78 C ATOM 1437 C BVAL A 192 73.018 6.147 19.502 0.50 22.95 C ATOM 1438 O BVAL A 192 72.932 6.305 20.721 0.50 22.79 O ATOM 1439 CB BVAL A 192 71.167 4.986 18.204 0.50 22.80 C ATOM 1440 CG1BVAL A 192 71.097 4.036 19.395 0.50 20.46 C ATOM 1441 CG2BVAL A 192 69.751 5.256 17.671 0.50 24.64 C ATOM 0 H BVAL A 192 72.074 6.647 16.675 0.50 24.04 H new ATOM 0 HA BVAL A 192 71.137 6.826 19.108 0.50 22.78 H new ATOM 0 HB BVAL A 192 71.713 4.567 17.521 0.50 22.80 H new ATOM 0 HG11BVAL A 192 70.695 3.198 19.118 0.50 20.46 H new ATOM 0 HG12BVAL A 192 71.992 3.869 19.729 0.50 20.46 H new ATOM 0 HG13BVAL A 192 70.560 4.436 20.097 0.50 20.46 H new ATOM 0 HG21BVAL A 192 69.336 4.418 17.414 0.50 24.64 H new ATOM 0 HG22BVAL A 192 69.220 5.680 18.363 0.50 24.64 H new ATOM 0 HG23BVAL A 192 69.802 5.841 16.899 0.50 24.64 H new ATOM 1442 N BASP A 193 74.162 5.849 18.896 0.50 24.49 N ATOM 1443 CA BASP A 193 75.406 5.672 19.656 0.50 24.37 C ATOM 1444 C BASP A 193 75.748 6.967 20.416 0.50 22.10 C ATOM 1445 O BASP A 193 76.070 6.939 21.608 0.50 20.40 O ATOM 1446 CB BASP A 193 76.540 5.290 18.705 0.50 26.24 C ATOM 1447 CG BASP A 193 77.802 4.893 19.436 0.50 29.77 C ATOM 1448 OD1BASP A 193 78.658 5.767 19.694 0.50 31.82 O ATOM 1449 OD2BASP A 193 77.932 3.697 19.763 0.50 32.93 O ATOM 0 H BASP A 193 74.244 5.744 18.046 0.50 24.49 H new ATOM 0 HA BASP A 193 75.289 4.959 20.303 0.50 24.37 H new ATOM 0 HB2BASP A 193 76.252 4.555 18.142 0.50 26.24 H new ATOM 0 HB3BASP A 193 76.732 6.038 18.118 0.50 26.24 H new ATOM 1450 N BVAL A 194 75.657 8.098 19.720 0.50 20.02 N ATOM 1451 CA BVAL A 194 75.924 9.398 20.338 0.50 19.93 C ATOM 1452 C BVAL A 194 74.946 9.717 21.477 0.50 20.83 C ATOM 1453 O BVAL A 194 75.360 10.182 22.540 0.50 20.49 O ATOM 1454 CB BVAL A 194 75.854 10.545 19.289 0.50 19.61 C ATOM 1455 CG1BVAL A 194 75.991 11.895 19.975 0.50 17.43 C ATOM 1456 CG2BVAL A 194 76.978 10.369 18.250 0.50 20.70 C ATOM 0 H BVAL A 194 75.442 8.136 18.888 0.50 20.02 H new ATOM 0 HA BVAL A 194 76.820 9.339 20.705 0.50 19.93 H new ATOM 0 HB BVAL A 194 74.995 10.509 18.841 0.50 19.61 H new ATOM 0 HG11BVAL A 194 75.946 12.601 19.312 0.50 17.43 H new ATOM 0 HG12BVAL A 194 75.271 12.007 20.616 0.50 17.43 H new ATOM 0 HG13BVAL A 194 76.843 11.939 20.436 0.50 17.43 H new ATOM 0 HG21BVAL A 194 76.931 11.086 17.598 0.50 20.70 H new ATOM 0 HG22BVAL A 194 77.839 10.394 18.697 0.50 20.70 H new ATOM 0 HG23BVAL A 194 76.873 9.516 17.800 0.50 20.70 H new ATOM 1457 N BALA A 195 73.655 9.460 21.255 0.50 20.70 N ATOM 1458 CA BALA A 195 72.622 9.726 22.258 0.50 21.52 C ATOM 1459 C BALA A 195 72.824 8.902 23.520 0.50 21.93 C ATOM 1460 O BALA A 195 72.722 9.417 24.629 0.50 22.87 O ATOM 1461 CB BALA A 195 71.236 9.451 21.670 0.50 21.57 C ATOM 0 H BALA A 195 73.355 9.128 20.521 0.50 20.70 H new ATOM 0 HA BALA A 195 72.692 10.661 22.506 0.50 21.52 H new ATOM 0 HB1BALA A 195 70.558 9.630 22.341 0.50 21.57 H new ATOM 0 HB2BALA A 195 71.090 10.026 20.902 0.50 21.57 H new ATOM 0 HB3BALA A 195 71.180 8.523 21.394 0.50 21.57 H new ATOM 1462 N BLEU A 196 73.114 7.618 23.355 0.50 21.97 N ATOM 1463 CA BLEU A 196 73.336 6.753 24.504 0.50 21.89 C ATOM 1464 C BLEU A 196 74.572 7.158 25.329 0.50 22.91 C ATOM 1465 O BLEU A 196 74.525 7.185 26.562 0.50 22.84 O ATOM 1466 CB BLEU A 196 73.475 5.295 24.040 0.50 23.14 C ATOM 1467 CG BLEU A 196 72.198 4.580 23.574 0.50 22.78 C ATOM 1468 CD1BLEU A 196 72.554 3.227 22.991 0.50 21.57 C ATOM 1469 CD2BLEU A 196 71.242 4.414 24.754 0.50 22.28 C ATOM 0 H BLEU A 196 73.187 7.230 22.591 0.50 21.97 H new ATOM 0 HA BLEU A 196 72.564 6.849 25.084 0.50 21.89 H new ATOM 0 HB2BLEU A 196 74.115 5.271 23.312 0.50 23.14 H new ATOM 0 HB3BLEU A 196 73.857 4.783 24.770 0.50 23.14 H new ATOM 0 HG BLEU A 196 71.762 5.111 22.889 0.50 22.78 H new ATOM 0 HD11BLEU A 196 71.746 2.778 22.698 0.50 21.57 H new ATOM 0 HD12BLEU A 196 73.149 3.347 22.235 0.50 21.57 H new ATOM 0 HD13BLEU A 196 72.995 2.689 23.667 0.50 21.57 H new ATOM 0 HD21BLEU A 196 70.437 3.962 24.457 0.50 22.28 H new ATOM 0 HD22BLEU A 196 71.671 3.887 25.447 0.50 22.28 H new ATOM 0 HD23BLEU A 196 71.011 5.287 25.109 0.50 22.28 H new ATOM 1470 N BILE A 197 75.675 7.477 24.659 0.50 23.45 N ATOM 1471 CA BILE A 197 76.890 7.856 25.378 0.50 24.52 C ATOM 1472 C BILE A 197 76.712 9.199 26.086 0.50 23.84 C ATOM 1473 O BILE A 197 77.192 9.386 27.205 0.50 24.24 O ATOM 1474 CB BILE A 197 78.119 7.899 24.425 0.50 23.80 C ATOM 1475 CG1BILE A 197 78.466 6.481 23.976 0.50 24.64 C ATOM 1476 CG2BILE A 197 79.327 8.507 25.135 0.50 26.06 C ATOM 1477 CD1BILE A 197 78.942 5.575 25.093 0.50 23.46 C ATOM 0 H BILE A 197 75.743 7.481 23.802 0.50 23.45 H new ATOM 0 HA BILE A 197 77.055 7.177 26.051 0.50 24.52 H new ATOM 0 HB BILE A 197 77.895 8.447 23.656 0.50 23.80 H new ATOM 0 HG12BILE A 197 77.684 6.083 23.562 0.50 24.64 H new ATOM 0 HG13BILE A 197 79.155 6.528 23.295 0.50 24.64 H new ATOM 0 HG21BILE A 197 80.083 8.526 24.528 0.50 26.06 H new ATOM 0 HG22BILE A 197 79.116 9.411 25.417 0.50 26.06 H new ATOM 0 HG23BILE A 197 79.550 7.970 25.912 0.50 26.06 H new ATOM 0 HD11BILE A 197 79.142 4.696 24.734 0.50 23.46 H new ATOM 0 HD12BILE A 197 79.741 5.949 25.495 0.50 23.46 H new ATOM 0 HD13BILE A 197 78.248 5.498 25.766 0.50 23.46 H new ATOM 1478 N BVAL A 198 76.016 10.127 25.442 0.50 23.40 N ATOM 1479 CA BVAL A 198 75.760 11.423 26.055 0.50 25.12 C ATOM 1480 C BVAL A 198 75.053 11.200 27.395 0.50 25.30 C ATOM 1481 O BVAL A 198 75.418 11.787 28.416 0.50 24.03 O ATOM 1482 CB BVAL A 198 74.838 12.299 25.176 0.50 26.50 C ATOM 1483 CG1BVAL A 198 74.297 13.457 25.996 0.50 27.26 C ATOM 1484 CG2BVAL A 198 75.596 12.816 23.966 0.50 24.85 C ATOM 0 H BVAL A 198 75.685 10.028 24.654 0.50 23.40 H new ATOM 0 HA BVAL A 198 76.611 11.875 26.165 0.50 25.12 H new ATOM 0 HB BVAL A 198 74.095 11.760 24.863 0.50 26.50 H new ATOM 0 HG11BVAL A 198 73.719 14.004 25.441 0.50 27.26 H new ATOM 0 HG12BVAL A 198 73.791 13.112 26.748 0.50 27.26 H new ATOM 0 HG13BVAL A 198 75.035 13.995 26.323 0.50 27.26 H new ATOM 0 HG21BVAL A 198 75.006 13.363 23.424 0.50 24.85 H new ATOM 0 HG22BVAL A 198 76.351 13.349 24.260 0.50 24.85 H new ATOM 0 HG23BVAL A 198 75.915 12.067 23.440 0.50 24.85 H new ATOM 1485 N BTYR A 199 74.041 10.341 27.376 0.50 26.30 N ATOM 1486 CA BTYR A 199 73.275 10.056 28.574 0.50 27.53 C ATOM 1487 C BTYR A 199 74.147 9.360 29.605 0.50 26.57 C ATOM 1488 O BTYR A 199 74.127 9.717 30.786 0.50 27.10 O ATOM 1489 CB BTYR A 199 72.044 9.212 28.222 0.50 30.27 C ATOM 1490 CG BTYR A 199 71.180 8.863 29.412 0.50 33.33 C ATOM 1491 CD1BTYR A 199 70.997 9.767 30.455 0.50 35.40 C ATOM 1492 CD2BTYR A 199 70.552 7.621 29.502 0.50 35.13 C ATOM 1493 CE1BTYR A 199 70.213 9.443 31.566 0.50 36.86 C ATOM 1494 CE2BTYR A 199 69.763 7.285 30.606 0.50 36.35 C ATOM 1495 CZ BTYR A 199 69.600 8.200 31.635 0.50 37.11 C ATOM 1496 OH BTYR A 199 68.837 7.870 32.734 0.50 36.54 O ATOM 0 H BTYR A 199 73.784 9.913 26.676 0.50 26.30 H new ATOM 0 HA BTYR A 199 72.967 10.890 28.961 0.50 27.53 H new ATOM 0 HB2BTYR A 199 71.507 9.694 27.574 0.50 30.27 H new ATOM 0 HB3BTYR A 199 72.337 8.392 27.794 0.50 30.27 H new ATOM 0 HD1BTYR A 199 71.404 10.602 30.412 0.50 35.40 H new ATOM 0 HD2BTYR A 199 70.660 7.004 28.814 0.50 35.13 H new ATOM 0 HE1BTYR A 199 70.103 10.057 32.255 0.50 36.86 H new ATOM 0 HE2BTYR A 199 69.350 6.453 30.650 0.50 36.35 H new ATOM 0 HH BTYR A 199 68.147 7.461 32.484 0.50 36.54 H new ATOM 1497 N BLEU A 200 74.923 8.377 29.165 0.50 25.19 N ATOM 1498 CA BLEU A 200 75.810 7.674 30.085 0.50 24.22 C ATOM 1499 C BLEU A 200 76.862 8.606 30.695 0.50 23.17 C ATOM 1500 O BLEU A 200 77.024 8.636 31.914 0.50 22.81 O ATOM 1501 CB BLEU A 200 76.513 6.507 29.381 0.50 25.06 C ATOM 1502 CG BLEU A 200 75.928 5.098 29.561 0.50 28.40 C ATOM 1503 CD1BLEU A 200 76.772 4.093 28.791 0.50 28.04 C ATOM 1504 CD2BLEU A 200 75.896 4.724 31.041 0.50 26.67 C ATOM 0 H BLEU A 200 74.952 8.104 28.350 0.50 25.19 H new ATOM 0 HA BLEU A 200 75.253 7.333 30.802 0.50 24.22 H new ATOM 0 HB2BLEU A 200 76.532 6.701 28.431 0.50 25.06 H new ATOM 0 HB3BLEU A 200 77.434 6.488 29.685 0.50 25.06 H new ATOM 0 HG BLEU A 200 75.021 5.086 29.218 0.50 28.40 H new ATOM 0 HD11BLEU A 200 76.402 3.204 28.906 0.50 28.04 H new ATOM 0 HD12BLEU A 200 76.772 4.324 27.849 0.50 28.04 H new ATOM 0 HD13BLEU A 200 77.682 4.109 29.127 0.50 28.04 H new ATOM 0 HD21BLEU A 200 75.525 3.833 31.142 0.50 26.67 H new ATOM 0 HD22BLEU A 200 76.797 4.741 31.399 0.50 26.67 H new ATOM 0 HD23BLEU A 200 75.345 5.360 31.524 0.50 26.67 H new ATOM 1505 N BASP A 201 77.576 9.362 29.857 0.50 21.62 N ATOM 1506 CA BASP A 201 78.612 10.272 30.362 0.50 22.84 C ATOM 1507 C BASP A 201 78.048 11.251 31.391 0.50 22.96 C ATOM 1508 O BASP A 201 78.685 11.527 32.417 0.50 21.48 O ATOM 1509 CB BASP A 201 79.256 11.091 29.231 0.50 20.92 C ATOM 1510 CG BASP A 201 80.226 10.285 28.366 0.50 22.39 C ATOM 1511 OD1BASP A 201 80.791 9.265 28.828 0.50 21.64 O ATOM 1512 OD2BASP A 201 80.443 10.700 27.207 0.50 22.22 O ATOM 0 H BASP A 201 77.479 9.364 29.003 0.50 21.62 H new ATOM 0 HA BASP A 201 79.282 9.706 30.777 0.50 22.84 H new ATOM 0 HB2BASP A 201 78.556 11.454 28.666 0.50 20.92 H new ATOM 0 HB3BASP A 201 79.729 11.845 29.617 0.50 20.92 H new ATOM 1513 N BLEU A 202 76.862 11.790 31.099 0.50 23.00 N ATOM 1514 CA BLEU A 202 76.212 12.753 31.987 0.50 24.07 C ATOM 1515 C BLEU A 202 75.953 12.150 33.345 0.50 25.00 C ATOM 1516 O BLEU A 202 76.223 12.763 34.377 0.50 26.37 O ATOM 1517 CB BLEU A 202 74.888 13.228 31.387 0.50 24.82 C ATOM 1518 CG BLEU A 202 75.024 14.289 30.300 0.50 25.11 C ATOM 1519 CD1BLEU A 202 73.665 14.550 29.669 0.50 25.98 C ATOM 1520 CD2BLEU A 202 75.604 15.567 30.908 0.50 24.90 C ATOM 0 H BLEU A 202 76.416 11.609 30.386 0.50 23.00 H new ATOM 0 HA BLEU A 202 76.812 13.509 32.087 0.50 24.07 H new ATOM 0 HB2BLEU A 202 74.421 12.462 31.017 0.50 24.82 H new ATOM 0 HB3BLEU A 202 74.333 13.582 32.099 0.50 24.82 H new ATOM 0 HG BLEU A 202 75.626 13.978 29.606 0.50 25.11 H new ATOM 0 HD11BLEU A 202 73.753 15.225 28.978 0.50 25.98 H new ATOM 0 HD12BLEU A 202 73.327 13.729 29.278 0.50 25.98 H new ATOM 0 HD13BLEU A 202 73.047 14.862 30.348 0.50 25.98 H new ATOM 0 HD21BLEU A 202 75.691 16.243 30.218 0.50 24.90 H new ATOM 0 HD22BLEU A 202 75.012 15.891 31.605 0.50 24.90 H new ATOM 0 HD23BLEU A 202 76.477 15.378 31.287 0.50 24.90 H new ATOM 1521 N BVAL A 203 75.425 10.935 33.332 0.50 26.83 N ATOM 1522 CA BVAL A 203 75.125 10.221 34.558 0.50 27.33 C ATOM 1523 C BVAL A 203 76.396 9.861 35.316 0.50 28.03 C ATOM 1524 O BVAL A 203 76.636 10.360 36.419 0.50 28.81 O ATOM 1525 CB BVAL A 203 74.356 8.910 34.267 0.50 27.01 C ATOM 1526 CG1BVAL A 203 74.052 8.202 35.574 0.50 29.06 C ATOM 1527 CG2BVAL A 203 73.076 9.205 33.508 0.50 26.13 C ATOM 0 H BVAL A 203 75.232 10.504 32.614 0.50 26.83 H new ATOM 0 HA BVAL A 203 74.578 10.815 35.096 0.50 27.33 H new ATOM 0 HB BVAL A 203 74.906 8.332 33.715 0.50 27.01 H new ATOM 0 HG11BVAL A 203 73.570 7.380 35.393 0.50 29.06 H new ATOM 0 HG12BVAL A 203 74.882 7.995 36.031 0.50 29.06 H new ATOM 0 HG13BVAL A 203 73.509 8.777 36.135 0.50 29.06 H new ATOM 0 HG21BVAL A 203 72.605 8.375 33.333 0.50 26.13 H new ATOM 0 HG22BVAL A 203 72.513 9.790 34.038 0.50 26.13 H new ATOM 0 HG23BVAL A 203 73.291 9.638 32.667 0.50 26.13 H new ATOM 1528 N BTHR A 204 77.214 9.000 34.712 0.50 26.33 N ATOM 1529 CA BTHR A 204 78.441 8.537 35.349 0.50 25.99 C ATOM 1530 C BTHR A 204 79.318 9.672 35.852 0.50 26.60 C ATOM 1531 O BTHR A 204 80.145 9.472 36.739 0.50 26.23 O ATOM 1532 CB BTHR A 204 79.282 7.658 34.391 0.50 24.38 C ATOM 1533 OG1BTHR A 204 79.885 8.484 33.388 0.50 23.04 O ATOM 1534 CG2BTHR A 204 78.404 6.609 33.721 0.50 23.10 C ATOM 0 H BTHR A 204 77.074 8.672 33.930 0.50 26.33 H new ATOM 0 HA BTHR A 204 78.148 8.014 36.112 0.50 25.99 H new ATOM 0 HB BTHR A 204 79.971 7.209 34.905 0.50 24.38 H new ATOM 0 HG1BTHR A 204 79.890 8.075 32.654 0.50 23.04 H new ATOM 0 HG21BTHR A 204 78.944 6.067 33.125 0.50 23.10 H new ATOM 0 HG22BTHR A 204 78.003 6.042 34.398 0.50 23.10 H new ATOM 0 HG23BTHR A 204 77.705 7.049 33.213 0.50 23.10 H new ATOM 1535 N BLYS A 205 79.175 10.857 35.285 0.50 27.71 N ATOM 1536 CA BLYS A 205 79.965 12.011 35.705 0.50 29.48 C ATOM 1537 C BLYS A 205 79.141 12.990 36.549 0.50 29.83 C ATOM 1538 O BLYS A 205 79.311 13.063 37.771 0.50 28.84 O ATOM 1539 CB BLYS A 205 80.539 12.735 34.483 0.50 29.09 C ATOM 1540 CG BLYS A 205 81.609 11.962 33.724 0.50 30.76 C ATOM 1541 CD BLYS A 205 81.495 12.229 32.237 0.50 31.07 C ATOM 1542 CE BLYS A 205 82.819 12.128 31.498 0.50 30.81 C ATOM 1543 NZ BLYS A 205 83.578 10.851 31.654 0.50 31.70 N ATOM 0 H BLYS A 205 78.621 11.020 34.648 0.50 27.71 H new ATOM 0 HA BLYS A 205 80.691 11.680 36.257 0.50 29.48 H new ATOM 0 HB2BLYS A 205 79.813 12.939 33.874 0.50 29.09 H new ATOM 0 HB3BLYS A 205 80.914 13.582 34.772 0.50 29.09 H new ATOM 0 HG2BLYS A 205 82.489 12.221 34.039 0.50 30.76 H new ATOM 0 HG3BLYS A 205 81.514 11.012 33.897 0.50 30.76 H new ATOM 0 HD2BLYS A 205 80.868 11.598 31.850 0.50 31.07 H new ATOM 0 HD3BLYS A 205 81.125 13.115 32.103 0.50 31.07 H new ATOM 0 HE2BLYS A 205 82.650 12.266 30.553 0.50 30.81 H new ATOM 0 HE3BLYS A 205 83.387 12.856 31.794 0.50 30.81 H new ATOM 0 HZ1BLYS A 205 84.439 11.032 31.789 0.50 31.70 H new ATOM 0 HZ2BLYS A 205 83.258 10.398 32.350 0.50 31.70 H new ATOM 1544 N BVAL A 206 78.216 13.746 35.896 0.50 29.65 N ATOM 1545 CA BVAL A 206 77.417 14.717 36.639 0.50 30.51 C ATOM 1546 C BVAL A 206 76.560 14.041 37.715 0.50 30.71 C ATOM 1547 O BVAL A 206 76.485 14.527 38.847 0.50 30.61 O ATOM 1548 CB BVAL A 206 76.520 15.552 35.696 0.50 29.93 C ATOM 1549 CG1BVAL A 206 75.614 16.463 36.509 0.50 29.06 C ATOM 1550 CG2BVAL A 206 77.394 16.392 34.769 0.50 29.95 C ATOM 0 H BVAL A 206 78.052 13.703 35.053 0.50 29.65 H new ATOM 0 HA BVAL A 206 78.042 15.314 37.079 0.50 30.51 H new ATOM 0 HB BVAL A 206 75.972 14.952 35.167 0.50 29.93 H new ATOM 0 HG11BVAL A 206 75.055 16.983 35.910 0.50 29.06 H new ATOM 0 HG12BVAL A 206 75.052 15.926 37.090 0.50 29.06 H new ATOM 0 HG13BVAL A 206 76.155 17.062 37.047 0.50 29.06 H new ATOM 0 HG21BVAL A 206 76.830 16.915 34.178 0.50 29.95 H new ATOM 0 HG22BVAL A 206 77.948 16.988 35.298 0.50 29.95 H new ATOM 0 HG23BVAL A 206 77.961 15.808 34.241 0.50 29.95 H new ATOM 1551 N BGLY A 207 75.927 12.922 37.366 0.50 30.06 N ATOM 1552 CA BGLY A 207 75.113 12.207 38.339 0.50 30.55 C ATOM 1553 C BGLY A 207 75.967 11.798 39.526 0.50 31.24 C ATOM 1554 O BGLY A 207 75.630 12.060 40.684 0.50 33.09 O ATOM 0 H BGLY A 207 75.956 12.567 36.583 0.50 30.06 H new ATOM 0 HA2BGLY A 207 74.381 12.770 38.636 0.50 30.55 H new ATOM 0 HA3BGLY A 207 74.719 11.422 37.928 0.50 30.55 H new ATOM 1555 N BPHE A 208 77.083 11.147 39.223 0.50 29.69 N ATOM 1556 CA BPHE A 208 78.041 10.707 40.225 0.50 29.41 C ATOM 1557 C BPHE A 208 78.403 11.911 41.107 0.50 29.90 C ATOM 1558 O BPHE A 208 78.679 11.770 42.299 0.50 28.73 O ATOM 1559 CB BPHE A 208 79.278 10.156 39.496 0.50 27.83 C ATOM 1560 CG BPHE A 208 80.454 9.847 40.383 0.50 26.47 C ATOM 1561 CD1BPHE A 208 81.185 10.867 40.988 0.50 25.03 C ATOM 1562 CD2BPHE A 208 80.873 8.530 40.560 0.50 24.99 C ATOM 1563 CE1BPHE A 208 82.319 10.578 41.753 0.50 25.26 C ATOM 1564 CE2BPHE A 208 82.005 8.233 41.322 0.50 23.66 C ATOM 1565 CZ BPHE A 208 82.729 9.257 41.919 0.50 24.46 C ATOM 0 H BPHE A 208 77.307 10.946 38.418 0.50 29.69 H new ATOM 0 HA BPHE A 208 77.675 10.008 40.790 0.50 29.41 H new ATOM 0 HB2BPHE A 208 79.025 9.347 39.024 0.50 27.83 H new ATOM 0 HB3BPHE A 208 79.556 10.800 38.826 0.50 27.83 H new ATOM 0 HD1BPHE A 208 80.915 11.751 40.882 0.50 25.03 H new ATOM 0 HD2BPHE A 208 80.392 7.839 40.165 0.50 24.99 H new ATOM 0 HE1BPHE A 208 82.800 11.268 42.151 0.50 25.26 H new ATOM 0 HE2BPHE A 208 82.274 7.349 41.430 0.50 23.66 H new ATOM 0 HZ BPHE A 208 83.483 9.062 42.427 0.50 24.46 H new ATOM 1566 N BGLY A 209 78.382 13.099 40.515 0.50 29.85 N ATOM 1567 CA BGLY A 209 78.716 14.291 41.271 0.50 31.01 C ATOM 1568 C BGLY A 209 77.649 14.644 42.287 0.50 29.91 C ATOM 1569 O BGLY A 209 77.927 14.795 43.471 0.50 30.57 O ATOM 0 H BGLY A 209 78.180 13.233 39.690 0.50 29.85 H new ATOM 0 HA2BGLY A 209 79.562 14.156 41.727 0.50 31.01 H new ATOM 0 HA3BGLY A 209 78.838 15.035 40.661 0.50 31.01 H new ATOM 1570 N BPHE A 210 76.421 14.776 41.814 0.50 31.09 N ATOM 1571 CA BPHE A 210 75.299 15.115 42.674 0.50 32.15 C ATOM 1572 C BPHE A 210 75.135 14.146 43.836 0.50 31.48 C ATOM 1573 O BPHE A 210 74.701 14.529 44.916 0.50 31.12 O ATOM 1574 CB BPHE A 210 74.025 15.160 41.847 0.50 32.34 C ATOM 1575 CG BPHE A 210 73.795 16.477 41.175 0.50 34.98 C ATOM 1576 CD1BPHE A 210 73.243 17.540 41.884 0.50 36.20 C ATOM 1577 CD2BPHE A 210 74.126 16.660 39.839 0.50 35.27 C ATOM 1578 CE1BPHE A 210 73.021 18.764 41.273 0.50 36.58 C ATOM 1579 CE2BPHE A 210 73.911 17.879 39.211 0.50 36.56 C ATOM 1580 CZ BPHE A 210 73.356 18.936 39.929 0.50 39.19 C ATOM 0 H BPHE A 210 76.213 14.672 40.986 0.50 31.09 H new ATOM 0 HA BPHE A 210 75.480 15.986 43.060 0.50 32.15 H new ATOM 0 HB2BPHE A 210 74.061 14.463 41.173 0.50 32.34 H new ATOM 0 HB3BPHE A 210 73.268 14.961 42.421 0.50 32.34 H new ATOM 0 HD1BPHE A 210 73.020 17.427 42.780 0.50 36.20 H new ATOM 0 HD2BPHE A 210 74.497 15.956 39.358 0.50 35.27 H new ATOM 0 HE1BPHE A 210 72.651 19.467 41.756 0.50 36.58 H new ATOM 0 HE2BPHE A 210 74.136 17.990 38.316 0.50 36.56 H new ATOM 0 HZ BPHE A 210 73.209 19.755 39.513 0.50 39.19 H new ATOM 1581 N BILE A 211 75.489 12.890 43.607 0.50 31.81 N ATOM 1582 CA BILE A 211 75.384 11.880 44.644 0.50 32.16 C ATOM 1583 C BILE A 211 76.408 12.164 45.734 0.50 33.42 C ATOM 1584 O BILE A 211 76.140 11.956 46.915 0.50 32.98 O ATOM 1585 CB BILE A 211 75.625 10.485 44.071 0.50 31.33 C ATOM 1586 CG1BILE A 211 74.449 10.090 43.171 0.50 31.95 C ATOM 1587 CG2BILE A 211 75.833 9.497 45.195 0.50 31.35 C ATOM 1588 CD1BILE A 211 74.673 8.777 42.413 0.50 29.29 C ATOM 0 H BILE A 211 75.793 12.603 42.856 0.50 31.81 H new ATOM 0 HA BILE A 211 74.488 11.911 45.015 0.50 32.16 H new ATOM 0 HB BILE A 211 76.429 10.483 43.528 0.50 31.33 H new ATOM 0 HG12BILE A 211 73.649 10.010 43.713 0.50 31.95 H new ATOM 0 HG13BILE A 211 74.288 10.801 42.531 0.50 31.95 H new ATOM 0 HG21BILE A 211 75.985 8.613 44.825 0.50 31.35 H new ATOM 0 HG22BILE A 211 76.602 9.764 45.722 0.50 31.35 H new ATOM 0 HG23BILE A 211 75.045 9.479 45.760 0.50 31.35 H new ATOM 0 HD11BILE A 211 73.897 8.584 41.864 0.50 29.29 H new ATOM 0 HD12BILE A 211 75.456 8.859 41.847 0.50 29.29 H new ATOM 0 HD13BILE A 211 74.808 8.056 43.047 0.50 29.29 H new ATOM 1589 N BALA A 212 77.585 12.637 45.329 0.50 33.09 N ATOM 1590 CA BALA A 212 78.623 12.970 46.289 0.50 33.66 C ATOM 1591 C BALA A 212 78.153 14.208 47.056 0.50 35.13 C ATOM 1592 O BALA A 212 78.295 14.287 48.277 0.50 33.62 O ATOM 1593 CB BALA A 212 79.937 13.257 45.570 0.50 32.16 C ATOM 0 H BALA A 212 77.798 12.770 44.507 0.50 33.09 H new ATOM 0 HA BALA A 212 78.777 12.230 46.897 0.50 33.66 H new ATOM 0 HB1BALA A 212 80.621 13.478 46.221 0.50 32.16 H new ATOM 0 HB2BALA A 212 80.210 12.473 45.069 0.50 32.16 H new ATOM 0 HB3BALA A 212 79.817 14.003 44.962 0.50 32.16 H new ATOM 1594 N BLEU A 213 77.589 15.171 46.329 0.50 35.37 N ATOM 1595 CA BLEU A 213 77.092 16.396 46.944 0.50 37.15 C ATOM 1596 C BLEU A 213 75.980 16.105 47.957 0.50 37.27 C ATOM 1597 O BLEU A 213 75.956 16.676 49.046 0.50 37.58 O ATOM 1598 CB BLEU A 213 76.579 17.353 45.863 0.50 36.74 C ATOM 1599 CG BLEU A 213 77.451 18.555 45.473 0.50 37.65 C ATOM 1600 CD1BLEU A 213 78.902 18.148 45.275 0.50 37.72 C ATOM 1601 CD2BLEU A 213 76.893 19.174 44.199 0.50 37.14 C ATOM 0 H BLEU A 213 77.485 15.132 45.476 0.50 35.37 H new ATOM 0 HA BLEU A 213 77.828 16.811 47.421 0.50 37.15 H new ATOM 0 HB2BLEU A 213 76.419 16.832 45.060 0.50 36.74 H new ATOM 0 HB3BLEU A 213 75.720 17.695 46.156 0.50 36.74 H new ATOM 0 HG BLEU A 213 77.431 19.205 46.193 0.50 37.65 H new ATOM 0 HD11BLEU A 213 79.426 18.927 45.030 0.50 37.72 H new ATOM 0 HD12BLEU A 213 79.248 17.772 46.099 0.50 37.72 H new ATOM 0 HD13BLEU A 213 78.959 17.485 44.569 0.50 37.72 H new ATOM 0 HD21BLEU A 213 77.437 19.935 43.944 0.50 37.14 H new ATOM 0 HD22BLEU A 213 76.905 18.515 43.487 0.50 37.14 H new ATOM 0 HD23BLEU A 213 75.981 19.466 44.354 0.50 37.14 H new ATOM 1602 N BASP A 214 75.074 15.203 47.603 0.50 37.74 N ATOM 1603 CA BASP A 214 73.966 14.853 48.486 0.50 38.45 C ATOM 1604 C BASP A 214 74.418 14.261 49.817 0.50 38.01 C ATOM 1605 O BASP A 214 73.668 14.270 50.791 0.50 36.19 O ATOM 1606 CB BASP A 214 73.030 13.875 47.785 0.50 40.63 C ATOM 1607 CG BASP A 214 72.090 13.179 48.746 0.50 44.01 C ATOM 1608 OD1BASP A 214 72.548 12.267 49.471 0.50 46.14 O ATOM 1609 OD2BASP A 214 70.895 13.547 48.782 0.50 44.73 O ATOM 0 H BASP A 214 75.081 14.780 46.854 0.50 37.74 H new ATOM 0 HA BASP A 214 73.503 15.681 48.688 0.50 38.45 H new ATOM 0 HB2BASP A 214 72.511 14.351 47.118 0.50 40.63 H new ATOM 0 HB3BASP A 214 73.556 13.210 47.314 0.50 40.63 H new ATOM 1610 N BALA A 215 75.646 13.755 49.855 0.50 37.93 N ATOM 1611 CA BALA A 215 76.185 13.158 51.066 0.50 37.40 C ATOM 1612 C BALA A 215 76.985 14.156 51.898 0.50 38.56 C ATOM 1613 O BALA A 215 77.168 13.964 53.098 0.50 39.10 O ATOM 1614 CB BALA A 215 77.063 11.969 50.703 0.50 37.36 C ATOM 0 H BALA A 215 76.185 13.749 49.185 0.50 37.93 H new ATOM 0 HA BALA A 215 75.434 12.867 51.607 0.50 37.40 H new ATOM 0 HB1BALA A 215 77.422 11.572 51.512 0.50 37.36 H new ATOM 0 HB2BALA A 215 76.534 11.310 50.227 0.50 37.36 H new ATOM 0 HB3BALA A 215 77.793 12.266 50.138 0.50 37.36 H new ATOM 1615 N BALA A 216 77.452 15.223 51.260 0.50 38.69 N ATOM 1616 CA BALA A 216 78.257 16.238 51.932 0.50 40.07 C ATOM 1617 C BALA A 216 77.811 16.613 53.350 0.50 40.68 C ATOM 1618 O BALA A 216 78.634 16.651 54.266 0.50 41.39 O ATOM 1619 CB BALA A 216 78.327 17.493 51.068 0.50 39.55 C ATOM 0 H BALA A 216 77.312 15.380 50.426 0.50 38.69 H new ATOM 0 HA BALA A 216 79.130 15.830 52.044 0.50 40.07 H new ATOM 0 HB1BALA A 216 78.862 18.166 51.517 0.50 39.55 H new ATOM 0 HB2BALA A 216 78.731 17.276 50.214 0.50 39.55 H new ATOM 0 HB3BALA A 216 77.432 17.837 50.923 0.50 39.55 H new ATOM 1620 N BALA A 217 76.523 16.894 53.530 0.50 40.96 N ATOM 1621 CA BALA A 217 75.996 17.286 54.838 0.50 42.05 C ATOM 1622 C BALA A 217 76.223 16.228 55.912 0.50 41.97 C ATOM 1623 O BALA A 217 76.736 16.524 56.990 0.50 42.66 O ATOM 1624 CB BALA A 217 74.509 17.604 54.726 0.50 41.25 C ATOM 0 H BALA A 217 75.934 16.864 52.905 0.50 40.96 H new ATOM 0 HA BALA A 217 76.486 18.077 55.114 0.50 42.05 H new ATOM 0 HB1BALA A 217 74.167 17.863 55.596 0.50 41.25 H new ATOM 0 HB2BALA A 217 74.380 18.332 54.099 0.50 41.25 H new ATOM 0 HB3BALA A 217 74.033 16.819 54.412 0.50 41.25 H new ATOM 1625 N BTHR A 218 75.835 14.995 55.609 0.50 42.74 N ATOM 1626 CA BTHR A 218 75.990 13.880 56.534 0.50 42.47 C ATOM 1627 C BTHR A 218 77.446 13.699 56.952 0.50 42.86 C ATOM 1628 O BTHR A 218 77.738 13.397 58.110 0.50 42.74 O ATOM 1629 CB BTHR A 218 75.521 12.569 55.889 0.50 42.41 C ATOM 1630 OG1BTHR A 218 74.199 12.740 55.367 0.50 44.54 O ATOM 1631 CG2BTHR A 218 75.511 11.452 56.909 0.50 41.76 C ATOM 0 H BTHR A 218 75.473 14.781 54.859 0.50 42.74 H new ATOM 0 HA BTHR A 218 75.450 14.087 57.312 0.50 42.47 H new ATOM 0 HB BTHR A 218 76.133 12.338 55.173 0.50 42.41 H new ATOM 0 HG1BTHR A 218 73.943 12.023 55.013 0.50 44.54 H new ATOM 0 HG21BTHR A 218 75.213 10.631 56.487 0.50 41.76 H new ATOM 0 HG22BTHR A 218 76.406 11.327 57.261 0.50 41.76 H new ATOM 0 HG23BTHR A 218 74.908 11.680 57.633 0.50 41.76 H new ATOM 1632 N BLEU A 219 78.355 13.878 55.998 0.50 42.16 N ATOM 1633 CA BLEU A 219 79.781 13.720 56.258 0.50 42.33 C ATOM 1634 C BLEU A 219 80.370 14.772 57.189 0.50 42.60 C ATOM 1635 O BLEU A 219 81.165 14.447 58.077 0.50 42.33 O ATOM 1636 CB BLEU A 219 80.562 13.716 54.940 0.50 41.16 C ATOM 1637 CG BLEU A 219 80.518 12.396 54.167 0.50 41.24 C ATOM 1638 CD1BLEU A 219 81.270 12.526 52.846 0.50 40.87 C ATOM 1639 CD2BLEU A 219 81.134 11.302 55.031 0.50 40.49 C ATOM 0 H BLEU A 219 78.164 14.093 55.188 0.50 42.16 H new ATOM 0 HA BLEU A 219 79.868 12.869 56.715 0.50 42.33 H new ATOM 0 HB2BLEU A 219 80.214 14.420 54.371 0.50 41.16 H new ATOM 0 HB3BLEU A 219 81.488 13.935 55.128 0.50 41.16 H new ATOM 0 HG BLEU A 219 79.598 12.167 53.962 0.50 41.24 H new ATOM 0 HD11BLEU A 219 81.233 11.683 52.368 0.50 40.87 H new ATOM 0 HD12BLEU A 219 80.860 13.221 52.307 0.50 40.87 H new ATOM 0 HD13BLEU A 219 82.195 12.758 53.022 0.50 40.87 H new ATOM 0 HD21BLEU A 219 81.112 10.459 54.551 0.50 40.49 H new ATOM 0 HD22BLEU A 219 82.053 11.532 55.238 0.50 40.49 H new ATOM 0 HD23BLEU A 219 80.629 11.218 55.855 0.50 40.49 H new ATOM 1640 N BARG A 220 79.986 16.030 56.990 0.50 41.86 N ATOM 1641 CA BARG A 220 80.503 17.103 57.823 0.50 42.54 C ATOM 1642 C BARG A 220 80.149 16.920 59.299 0.50 42.81 C ATOM 1643 O BARG A 220 81.037 16.905 60.154 0.50 42.15 O ATOM 1644 CB BARG A 220 80.008 18.462 57.313 0.50 42.46 C ATOM 1645 CG BARG A 220 80.784 18.977 56.098 0.50 41.87 C ATOM 1646 CD BARG A 220 80.409 20.411 55.750 0.50 43.07 C ATOM 1647 NE BARG A 220 79.388 20.505 54.702 0.50 44.09 N ATOM 1648 CZ BARG A 220 79.629 20.351 53.401 0.50 43.03 C ATOM 1649 NH1BARG A 220 80.857 20.092 52.968 0.50 43.53 N ATOM 1650 NH2BARG A 220 78.642 20.470 52.526 0.50 41.94 N ATOM 0 H BARG A 220 79.431 16.279 56.382 0.50 41.86 H new ATOM 0 HA BARG A 220 81.470 17.073 57.759 0.50 42.54 H new ATOM 0 HB2BARG A 220 79.069 18.390 57.081 0.50 42.46 H new ATOM 0 HB3BARG A 220 80.074 19.112 58.030 0.50 42.46 H new ATOM 0 HG2BARG A 220 81.736 18.927 56.278 0.50 41.87 H new ATOM 0 HG3BARG A 220 80.609 18.403 55.336 0.50 41.87 H new ATOM 0 HD2BARG A 220 80.086 20.857 56.548 0.50 43.07 H new ATOM 0 HD3BARG A 220 81.204 20.886 55.462 0.50 43.07 H new ATOM 0 HE BARG A 220 78.579 20.671 54.943 0.50 44.09 H new ATOM 0 HH11BARG A 220 81.505 20.022 53.529 0.50 43.53 H new ATOM 0 HH12BARG A 220 81.004 19.994 52.126 0.50 43.53 H new ATOM 0 HH21BARG A 220 77.845 20.647 52.798 0.50 41.94 H new ATOM 0 HH22BARG A 220 78.798 20.371 51.686 0.50 41.94 H new ATOM 1651 N BALA A 221 78.862 16.758 59.592 0.50 43.27 N ATOM 1652 CA BALA A 221 78.401 16.585 60.971 0.50 43.09 C ATOM 1653 C BALA A 221 79.031 15.378 61.671 0.50 43.64 C ATOM 1654 O BALA A 221 78.895 15.217 62.884 0.50 42.89 O ATOM 1655 CB BALA A 221 76.877 16.468 60.999 0.50 41.13 C ATOM 0 H BALA A 221 78.234 16.745 59.004 0.50 43.27 H new ATOM 0 HA BALA A 221 78.686 17.372 61.462 0.50 43.09 H new ATOM 0 HB1BALA A 221 76.578 16.354 61.915 0.50 41.13 H new ATOM 0 HB2BALA A 221 76.484 17.274 60.629 0.50 41.13 H new ATOM 0 HB3BALA A 221 76.601 15.702 60.471 0.50 41.13 H new ATOM 1656 N BGLU A 222 79.729 14.543 60.907 0.50 43.75 N ATOM 1657 CA BGLU A 222 80.371 13.347 61.448 0.50 44.29 C ATOM 1658 C BGLU A 222 81.759 13.635 62.038 0.50 43.98 C ATOM 1659 O BGLU A 222 82.196 12.965 62.978 0.50 45.35 O ATOM 1660 CB BGLU A 222 80.480 12.283 60.345 0.50 43.82 C ATOM 1661 CG BGLU A 222 81.150 10.980 60.756 0.50 42.49 C ATOM 1662 CD BGLU A 222 81.268 9.995 59.596 0.50 42.84 C ATOM 1663 OE1BGLU A 222 81.974 10.304 58.612 0.50 42.43 O ATOM 1664 OE2BGLU A 222 80.653 8.911 59.665 0.50 42.44 O ATOM 0 H BGLU A 222 79.844 14.653 60.062 0.50 43.75 H new ATOM 0 HA BGLU A 222 79.817 13.023 62.176 0.50 44.29 H new ATOM 0 HB2BGLU A 222 79.588 12.082 60.022 0.50 43.82 H new ATOM 0 HB3BGLU A 222 80.973 12.661 59.600 0.50 43.82 H new ATOM 0 HG2BGLU A 222 82.034 11.170 61.106 0.50 42.49 H new ATOM 0 HG3BGLU A 222 80.642 10.571 61.474 0.50 42.49 H new TER 1665 GLU A 222 ATOM 1666 N BILE B 27 59.782 9.614 37.265 0.50 58.81 N ATOM 1667 CA BILE B 27 59.396 10.434 36.123 0.50 59.05 C ATOM 1668 C BILE B 27 60.520 10.741 35.127 0.50 58.33 C ATOM 1669 O BILE B 27 60.256 11.016 33.955 0.50 58.35 O ATOM 1670 CB BILE B 27 58.781 11.759 36.618 0.50 59.40 C ATOM 1671 CG1BILE B 27 57.815 11.469 37.773 0.50 60.29 C ATOM 1672 CG2BILE B 27 58.049 12.457 35.479 0.50 59.94 C ATOM 1673 CD1BILE B 27 57.262 12.701 38.457 0.50 60.76 C ATOM 0 HA BILE B 27 58.751 9.899 35.634 0.50 59.05 H new ATOM 0 HB BILE B 27 59.488 12.345 36.931 0.50 59.40 H new ATOM 0 HG12BILE B 27 57.075 10.941 37.435 0.50 60.29 H new ATOM 0 HG13BILE B 27 58.273 10.925 38.433 0.50 60.29 H new ATOM 0 HG21BILE B 27 57.667 13.288 35.801 0.50 59.94 H new ATOM 0 HG22BILE B 27 58.673 12.646 34.761 0.50 59.94 H new ATOM 0 HG23BILE B 27 57.341 11.882 35.149 0.50 59.94 H new ATOM 0 HD11BILE B 27 56.663 12.433 39.172 0.50 60.76 H new ATOM 0 HD12BILE B 27 57.992 13.222 38.826 0.50 60.76 H new ATOM 0 HD13BILE B 27 56.776 13.238 37.812 0.50 60.76 H new ATOM 1674 N BPHE B 28 61.766 10.696 35.587 0.50 57.92 N ATOM 1675 CA BPHE B 28 62.905 10.978 34.717 0.50 57.29 C ATOM 1676 C BPHE B 28 63.098 9.891 33.663 0.50 56.00 C ATOM 1677 O BPHE B 28 62.881 10.124 32.471 0.50 54.90 O ATOM 1678 CB BPHE B 28 64.185 11.104 35.542 0.50 59.36 C ATOM 1679 CG BPHE B 28 65.408 11.436 34.724 0.50 61.02 C ATOM 1680 CD1BPHE B 28 65.564 12.699 34.160 0.50 61.60 C ATOM 1681 CD2BPHE B 28 66.409 10.486 34.528 0.50 61.53 C ATOM 1682 CE1BPHE B 28 66.704 13.013 33.414 0.50 62.50 C ATOM 1683 CE2BPHE B 28 67.552 10.789 33.784 0.50 61.91 C ATOM 1684 CZ BPHE B 28 67.700 12.054 33.227 0.50 62.25 C ATOM 0 H BPHE B 28 61.974 10.504 36.399 0.50 57.92 H new ATOM 0 HA BPHE B 28 62.717 11.815 34.264 0.50 57.29 H new ATOM 0 HB2BPHE B 28 64.060 11.792 36.214 0.50 59.36 H new ATOM 0 HB3BPHE B 28 64.339 10.271 36.014 0.50 59.36 H new ATOM 0 HD1BPHE B 28 64.902 13.341 34.281 0.50 61.60 H new ATOM 0 HD2BPHE B 28 66.315 9.638 34.898 0.50 61.53 H new ATOM 0 HE1BPHE B 28 66.798 13.860 33.043 0.50 62.50 H new ATOM 0 HE2BPHE B 28 68.212 10.146 33.662 0.50 61.91 H new ATOM 0 HZ BPHE B 28 68.460 12.260 32.732 0.50 62.25 H new ATOM 1685 N BVAL B 29 63.508 8.707 34.110 0.50 54.41 N ATOM 1686 CA BVAL B 29 63.744 7.586 33.208 0.50 53.88 C ATOM 1687 C BVAL B 29 62.624 7.421 32.191 0.50 52.59 C ATOM 1688 O BVAL B 29 62.878 7.137 31.020 0.50 52.45 O ATOM 1689 CB BVAL B 29 63.915 6.252 33.985 0.50 54.07 C ATOM 1690 CG1BVAL B 29 65.118 6.344 34.914 0.50 54.76 C ATOM 1691 CG2BVAL B 29 62.658 5.932 34.770 0.50 54.22 C ATOM 0 H BVAL B 29 63.656 8.532 34.939 0.50 54.41 H new ATOM 0 HA BVAL B 29 64.567 7.793 32.737 0.50 53.88 H new ATOM 0 HB BVAL B 29 64.066 5.535 33.350 0.50 54.07 H new ATOM 0 HG11BVAL B 29 65.219 5.508 35.396 0.50 54.76 H new ATOM 0 HG12BVAL B 29 65.918 6.515 34.392 0.50 54.76 H new ATOM 0 HG13BVAL B 29 64.984 7.067 35.546 0.50 54.76 H new ATOM 0 HG21BVAL B 29 62.779 5.098 35.249 0.50 54.22 H new ATOM 0 HG22BVAL B 29 62.481 6.645 35.403 0.50 54.22 H new ATOM 0 HG23BVAL B 29 61.908 5.848 34.160 0.50 54.22 H new ATOM 1692 N BGLY B 30 61.385 7.602 32.640 0.50 51.83 N ATOM 1693 CA BGLY B 30 60.251 7.470 31.742 0.50 49.60 C ATOM 1694 C BGLY B 30 60.187 8.604 30.738 0.50 48.27 C ATOM 1695 O BGLY B 30 59.672 8.440 29.633 0.50 48.90 O ATOM 0 H BGLY B 30 61.184 7.800 33.453 0.50 51.83 H new ATOM 0 HA2BGLY B 30 60.310 6.624 31.270 0.50 49.60 H new ATOM 0 HA3BGLY B 30 59.431 7.450 32.259 0.50 49.60 H new ATOM 1696 N BALA B 31 60.719 9.759 31.118 0.50 47.68 N ATOM 1697 CA BALA B 31 60.716 10.929 30.247 0.50 47.17 C ATOM 1698 C BALA B 31 61.705 10.795 29.087 0.50 46.06 C ATOM 1699 O BALA B 31 61.378 11.116 27.944 0.50 45.35 O ATOM 1700 CB BALA B 31 61.035 12.182 31.064 0.50 47.98 C ATOM 0 H BALA B 31 61.090 9.887 31.883 0.50 47.68 H new ATOM 0 HA BALA B 31 59.829 11.002 29.861 0.50 47.17 H new ATOM 0 HB1BALA B 31 61.032 12.958 30.482 0.50 47.98 H new ATOM 0 HB2BALA B 31 60.366 12.296 31.757 0.50 47.98 H new ATOM 0 HB3BALA B 31 61.910 12.088 31.472 0.50 47.98 H new ATOM 1701 N BLEU B 32 62.912 10.324 29.384 0.50 45.37 N ATOM 1702 CA BLEU B 32 63.934 10.163 28.356 0.50 44.87 C ATOM 1703 C BLEU B 32 63.599 9.057 27.363 0.50 43.04 C ATOM 1704 O BLEU B 32 63.832 9.202 26.164 0.50 42.45 O ATOM 1705 CB BLEU B 32 65.297 9.889 28.998 0.50 46.30 C ATOM 1706 CG BLEU B 32 66.059 11.122 29.486 0.50 47.51 C ATOM 1707 CD1BLEU B 32 67.405 10.686 30.037 0.50 48.70 C ATOM 1708 CD2BLEU B 32 66.255 12.109 28.337 0.50 47.06 C ATOM 0 H BLEU B 32 63.159 10.092 30.174 0.50 45.37 H new ATOM 0 HA BLEU B 32 63.966 10.996 27.861 0.50 44.87 H new ATOM 0 HB2BLEU B 32 65.168 9.290 29.750 0.50 46.30 H new ATOM 0 HB3BLEU B 32 65.851 9.420 28.354 0.50 46.30 H new ATOM 0 HG BLEU B 32 65.550 11.563 30.184 0.50 47.51 H new ATOM 0 HD11BLEU B 32 67.894 11.463 30.349 0.50 48.70 H new ATOM 0 HD12BLEU B 32 67.269 10.072 30.776 0.50 48.70 H new ATOM 0 HD13BLEU B 32 67.913 10.243 29.339 0.50 48.70 H new ATOM 0 HD21BLEU B 32 66.739 12.886 28.657 0.50 47.06 H new ATOM 0 HD22BLEU B 32 66.761 11.683 27.627 0.50 47.06 H new ATOM 0 HD23BLEU B 32 65.390 12.385 27.996 0.50 47.06 H new ATOM 1709 N BTHR B 33 63.054 7.957 27.866 0.50 41.72 N ATOM 1710 CA BTHR B 33 62.676 6.831 27.019 0.50 40.86 C ATOM 1711 C BTHR B 33 61.838 7.322 25.842 0.50 40.48 C ATOM 1712 O BTHR B 33 61.988 6.845 24.719 0.50 39.61 O ATOM 1713 CB BTHR B 33 61.867 5.810 27.821 0.50 40.91 C ATOM 1714 OG1BTHR B 33 62.667 5.334 28.907 0.50 40.68 O ATOM 1715 CG2BTHR B 33 61.442 4.643 26.939 0.50 40.69 C ATOM 0 H BTHR B 33 62.893 7.841 28.703 0.50 41.72 H new ATOM 0 HA BTHR B 33 63.485 6.410 26.689 0.50 40.86 H new ATOM 0 HB BTHR B 33 61.066 6.237 28.162 0.50 40.91 H new ATOM 0 HG1BTHR B 33 62.707 5.923 29.505 0.50 40.68 H new ATOM 0 HG21BTHR B 33 60.931 4.008 27.466 0.50 40.69 H new ATOM 0 HG22BTHR B 33 60.894 4.972 26.209 0.50 40.69 H new ATOM 0 HG23BTHR B 33 62.229 4.205 26.580 0.50 40.69 H new ATOM 1716 N BVAL B 34 60.961 8.285 26.116 0.50 39.84 N ATOM 1717 CA BVAL B 34 60.103 8.868 25.094 0.50 39.89 C ATOM 1718 C BVAL B 34 60.942 9.736 24.155 0.50 39.09 C ATOM 1719 O BVAL B 34 60.836 9.636 22.935 0.50 39.09 O ATOM 1720 CB BVAL B 34 58.997 9.745 25.730 0.50 41.00 C ATOM 1721 CG1BVAL B 34 58.122 10.347 24.642 0.50 40.38 C ATOM 1722 CG2BVAL B 34 58.156 8.909 26.692 0.50 41.61 C ATOM 0 H BVAL B 34 60.848 8.617 26.901 0.50 39.84 H new ATOM 0 HA BVAL B 34 59.685 8.144 24.602 0.50 39.89 H new ATOM 0 HB BVAL B 34 59.411 10.467 26.229 0.50 41.00 H new ATOM 0 HG11BVAL B 34 57.432 10.895 25.048 0.50 40.38 H new ATOM 0 HG12BVAL B 34 58.666 10.895 24.055 0.50 40.38 H new ATOM 0 HG13BVAL B 34 57.709 9.636 24.128 0.50 40.38 H new ATOM 0 HG21BVAL B 34 57.466 9.465 27.086 0.50 41.61 H new ATOM 0 HG22BVAL B 34 57.743 8.176 26.208 0.50 41.61 H new ATOM 0 HG23BVAL B 34 58.724 8.554 27.394 0.50 41.61 H new ATOM 1723 N BLEU B 35 61.774 10.594 24.731 0.50 39.10 N ATOM 1724 CA BLEU B 35 62.626 11.451 23.925 0.50 39.09 C ATOM 1725 C BLEU B 35 63.489 10.566 23.029 0.50 37.25 C ATOM 1726 O BLEU B 35 63.670 10.854 21.846 0.50 36.94 O ATOM 1727 CB BLEU B 35 63.517 12.316 24.818 0.50 41.69 C ATOM 1728 CG BLEU B 35 64.511 13.194 24.053 0.50 42.93 C ATOM 1729 CD1BLEU B 35 63.753 14.101 23.088 0.50 43.53 C ATOM 1730 CD2BLEU B 35 65.334 14.013 25.031 0.50 44.00 C ATOM 0 H BLEU B 35 61.859 10.694 25.581 0.50 39.10 H new ATOM 0 HA BLEU B 35 62.077 12.042 23.386 0.50 39.09 H new ATOM 0 HB2BLEU B 35 62.954 12.885 25.366 0.50 41.69 H new ATOM 0 HB3BLEU B 35 64.010 11.739 25.422 0.50 41.69 H new ATOM 0 HG BLEU B 35 65.115 12.633 23.541 0.50 42.93 H new ATOM 0 HD11BLEU B 35 64.383 14.657 22.604 0.50 43.53 H new ATOM 0 HD12BLEU B 35 63.252 13.558 22.459 0.50 43.53 H new ATOM 0 HD13BLEU B 35 63.141 14.665 23.587 0.50 43.53 H new ATOM 0 HD21BLEU B 35 65.962 14.567 24.541 0.50 44.00 H new ATOM 0 HD22BLEU B 35 64.745 14.578 25.556 0.50 44.00 H new ATOM 0 HD23BLEU B 35 65.821 13.418 25.622 0.50 44.00 H new ATOM 1731 N BPHE B 36 64.019 9.489 23.597 0.50 35.05 N ATOM 1732 CA BPHE B 36 64.835 8.572 22.820 0.50 34.25 C ATOM 1733 C BPHE B 36 63.956 7.979 21.725 0.50 33.38 C ATOM 1734 O BPHE B 36 64.355 7.902 20.556 0.50 32.10 O ATOM 1735 CB BPHE B 36 65.382 7.452 23.698 0.50 34.59 C ATOM 1736 CG BPHE B 36 66.488 6.679 23.051 0.50 36.04 C ATOM 1737 CD1BPHE B 36 67.798 7.141 23.110 0.50 36.32 C ATOM 1738 CD2BPHE B 36 66.219 5.519 22.337 0.50 35.02 C ATOM 1739 CE1BPHE B 36 68.823 6.458 22.465 0.50 36.89 C ATOM 1740 CE2BPHE B 36 67.239 4.830 21.688 0.50 36.44 C ATOM 1741 CZ BPHE B 36 68.543 5.303 21.753 0.50 35.88 C ATOM 0 H BPHE B 36 63.918 9.274 24.424 0.50 35.05 H new ATOM 0 HA BPHE B 36 65.590 9.049 22.440 0.50 34.25 H new ATOM 0 HB2BPHE B 36 65.705 7.831 24.531 0.50 34.59 H new ATOM 0 HB3BPHE B 36 64.660 6.845 23.924 0.50 34.59 H new ATOM 0 HD1BPHE B 36 67.991 7.916 23.587 0.50 36.32 H new ATOM 0 HD2BPHE B 36 65.347 5.199 22.292 0.50 35.02 H new ATOM 0 HE1BPHE B 36 69.696 6.776 22.511 0.50 36.89 H new ATOM 0 HE2BPHE B 36 67.048 4.054 21.212 0.50 36.44 H new ATOM 0 HZ BPHE B 36 69.227 4.845 21.320 0.50 35.88 H new ATOM 1742 N BGLY B 37 62.755 7.556 22.112 0.50 33.05 N ATOM 1743 CA BGLY B 37 61.828 6.998 21.141 0.50 30.71 C ATOM 1744 C BGLY B 37 61.656 7.937 19.959 0.50 29.75 C ATOM 1745 O BGLY B 37 61.712 7.517 18.803 0.50 28.30 O ATOM 0 H BGLY B 37 62.463 7.584 22.921 0.50 33.05 H new ATOM 0 HA2BGLY B 37 62.155 6.139 20.832 0.50 30.71 H new ATOM 0 HA3BGLY B 37 60.968 6.840 21.562 0.50 30.71 H new ATOM 1746 N BALA B 38 61.464 9.222 20.247 0.50 29.95 N ATOM 1747 CA BALA B 38 61.282 10.219 19.193 0.50 30.51 C ATOM 1748 C BALA B 38 62.530 10.320 18.316 0.50 30.47 C ATOM 1749 O BALA B 38 62.443 10.386 17.094 0.50 30.03 O ATOM 1750 CB BALA B 38 60.954 11.576 19.811 0.50 30.30 C ATOM 0 H BALA B 38 61.436 9.538 21.046 0.50 29.95 H new ATOM 0 HA BALA B 38 60.542 9.941 18.631 0.50 30.51 H new ATOM 0 HB1BALA B 38 60.835 12.232 19.107 0.50 30.30 H new ATOM 0 HB2BALA B 38 60.137 11.507 20.330 0.50 30.30 H new ATOM 0 HB3BALA B 38 61.682 11.852 20.390 0.50 30.30 H new ATOM 1751 N BILE B 39 63.698 10.333 18.947 0.50 32.09 N ATOM 1752 CA BILE B 39 64.952 10.399 18.204 0.50 31.77 C ATOM 1753 C BILE B 39 65.069 9.169 17.293 0.50 31.44 C ATOM 1754 O BILE B 39 65.419 9.285 16.119 0.50 29.88 O ATOM 1755 CB BILE B 39 66.154 10.481 19.180 0.50 33.78 C ATOM 1756 CG1BILE B 39 66.180 11.869 19.832 0.50 33.46 C ATOM 1757 CG2BILE B 39 67.473 10.205 18.442 0.50 34.92 C ATOM 1758 CD1BILE B 39 67.115 11.990 21.017 0.50 34.17 C ATOM 0 H BILE B 39 63.787 10.304 19.802 0.50 32.09 H new ATOM 0 HA BILE B 39 64.960 11.198 17.655 0.50 31.77 H new ATOM 0 HB BILE B 39 66.053 9.805 19.868 0.50 33.78 H new ATOM 0 HG12BILE B 39 66.438 12.523 19.163 0.50 33.46 H new ATOM 0 HG13BILE B 39 65.282 12.096 20.119 0.50 33.46 H new ATOM 0 HG21BILE B 39 68.212 10.261 19.068 0.50 34.92 H new ATOM 0 HG22BILE B 39 67.446 9.317 18.052 0.50 34.92 H new ATOM 0 HG23BILE B 39 67.595 10.863 17.739 0.50 34.92 H new ATOM 0 HD11BILE B 39 67.074 12.892 21.371 0.50 34.17 H new ATOM 0 HD12BILE B 39 66.848 11.361 21.705 0.50 34.17 H new ATOM 0 HD13BILE B 39 68.022 11.795 20.735 0.50 34.17 H new ATOM 1759 N BALA B 40 64.752 7.993 17.823 0.50 31.37 N ATOM 1760 CA BALA B 40 64.822 6.772 17.026 0.50 32.18 C ATOM 1761 C BALA B 40 63.762 6.834 15.930 0.50 32.79 C ATOM 1762 O BALA B 40 63.962 6.334 14.827 0.50 33.53 O ATOM 1763 CB BALA B 40 64.603 5.548 17.911 0.50 32.41 C ATOM 0 H BALA B 40 64.496 7.880 18.636 0.50 31.37 H new ATOM 0 HA BALA B 40 65.701 6.698 16.622 0.50 32.18 H new ATOM 0 HB1BALA B 40 64.652 4.744 17.370 0.50 32.41 H new ATOM 0 HB2BALA B 40 65.288 5.518 18.597 0.50 32.41 H new ATOM 0 HB3BALA B 40 63.730 5.603 18.329 0.50 32.41 H new ATOM 1764 N BTYR B 41 62.630 7.450 16.247 0.50 34.36 N ATOM 1765 CA BTYR B 41 61.547 7.607 15.287 0.50 35.17 C ATOM 1766 C BTYR B 41 62.050 8.491 14.151 0.50 34.34 C ATOM 1767 O BTYR B 41 61.832 8.202 12.970 0.50 34.36 O ATOM 1768 CB BTYR B 41 60.339 8.258 15.979 0.50 39.10 C ATOM 1769 CG BTYR B 41 59.252 8.783 15.059 0.50 41.77 C ATOM 1770 CD1BTYR B 41 58.663 7.964 14.097 0.50 44.46 C ATOM 1771 CD2BTYR B 41 58.797 10.101 15.170 0.50 45.48 C ATOM 1772 CE1BTYR B 41 57.643 8.441 13.260 0.50 46.09 C ATOM 1773 CE2BTYR B 41 57.774 10.593 14.341 0.50 47.01 C ATOM 1774 CZ BTYR B 41 57.204 9.755 13.388 0.50 47.24 C ATOM 1775 OH BTYR B 41 56.201 10.229 12.565 0.50 48.14 O ATOM 0 H BTYR B 41 62.469 7.787 17.021 0.50 34.36 H new ATOM 0 HA BTYR B 41 61.270 6.746 14.936 0.50 35.17 H new ATOM 0 HB2BTYR B 41 59.944 7.608 16.580 0.50 39.10 H new ATOM 0 HB3BTYR B 41 60.659 8.993 16.526 0.50 39.10 H new ATOM 0 HD1BTYR B 41 58.952 7.084 14.008 0.50 44.46 H new ATOM 0 HD2BTYR B 41 59.179 10.663 15.805 0.50 45.48 H new ATOM 0 HE1BTYR B 41 57.262 7.881 12.622 0.50 46.09 H new ATOM 0 HE2BTYR B 41 57.481 11.471 14.429 0.50 47.01 H new ATOM 0 HH BTYR B 41 56.039 11.031 12.754 0.50 48.14 H new ATOM 1776 N BGLY B 42 62.740 9.566 14.520 0.50 33.63 N ATOM 1777 CA BGLY B 42 63.264 10.489 13.534 0.50 32.15 C ATOM 1778 C BGLY B 42 64.158 9.851 12.495 0.50 32.29 C ATOM 1779 O BGLY B 42 64.001 10.091 11.294 0.50 32.03 O ATOM 0 H BGLY B 42 62.913 9.775 15.336 0.50 33.63 H new ATOM 0 HA2BGLY B 42 62.521 10.921 13.084 0.50 32.15 H new ATOM 0 HA3BGLY B 42 63.762 11.185 13.991 0.50 32.15 H new ATOM 1780 N BGLU B 43 65.102 9.031 12.939 0.50 32.46 N ATOM 1781 CA BGLU B 43 66.006 8.405 11.990 0.50 33.09 C ATOM 1782 C BGLU B 43 65.275 7.372 11.154 0.50 32.33 C ATOM 1783 O BGLU B 43 65.550 7.222 9.969 0.50 32.84 O ATOM 1784 CB BGLU B 43 67.203 7.774 12.710 0.50 34.20 C ATOM 1785 CG BGLU B 43 68.131 6.993 11.771 0.50 35.10 C ATOM 1786 CD BGLU B 43 69.491 6.683 12.390 0.50 37.36 C ATOM 1787 OE1BGLU B 43 69.530 6.197 13.541 0.50 32.50 O ATOM 1788 OE2BGLU B 43 70.520 6.920 11.713 0.50 38.74 O ATOM 0 H BGLU B 43 65.233 8.828 13.764 0.50 32.46 H new ATOM 0 HA BGLU B 43 66.342 9.093 11.395 0.50 33.09 H new ATOM 0 HB2BGLU B 43 67.712 8.472 13.151 0.50 34.20 H new ATOM 0 HB3BGLU B 43 66.878 7.178 13.403 0.50 34.20 H new ATOM 0 HG2BGLU B 43 67.700 6.161 11.518 0.50 35.10 H new ATOM 0 HG3BGLU B 43 68.262 7.504 10.957 0.50 35.10 H new ATOM 1789 N BVAL B 44 64.345 6.650 11.768 0.50 33.56 N ATOM 1790 CA BVAL B 44 63.573 5.655 11.030 0.50 34.52 C ATOM 1791 C BVAL B 44 62.795 6.355 9.915 0.50 36.39 C ATOM 1792 O BVAL B 44 62.870 5.973 8.745 0.50 36.83 O ATOM 1793 CB BVAL B 44 62.571 4.935 11.947 0.50 33.16 C ATOM 1794 CG1BVAL B 44 61.630 4.090 11.116 0.50 32.43 C ATOM 1795 CG2BVAL B 44 63.320 4.063 12.953 0.50 32.49 C ATOM 0 H BVAL B 44 64.146 6.718 12.602 0.50 33.56 H new ATOM 0 HA BVAL B 44 64.189 5.000 10.666 0.50 34.52 H new ATOM 0 HB BVAL B 44 62.052 5.595 12.433 0.50 33.16 H new ATOM 0 HG11BVAL B 44 61.000 3.638 11.699 0.50 32.43 H new ATOM 0 HG12BVAL B 44 61.146 4.658 10.497 0.50 32.43 H new ATOM 0 HG13BVAL B 44 62.140 3.431 10.619 0.50 32.43 H new ATOM 0 HG21BVAL B 44 62.682 3.612 13.528 0.50 32.49 H new ATOM 0 HG22BVAL B 44 63.850 3.404 12.478 0.50 32.49 H new ATOM 0 HG23BVAL B 44 63.904 4.619 13.492 0.50 32.49 H new ATOM 1796 N BTHR B 45 62.052 7.388 10.290 0.50 38.42 N ATOM 1797 CA BTHR B 45 61.254 8.147 9.335 0.50 41.51 C ATOM 1798 C BTHR B 45 62.133 8.817 8.283 0.50 43.11 C ATOM 1799 O BTHR B 45 61.750 8.912 7.116 0.50 44.10 O ATOM 1800 CB BTHR B 45 60.420 9.209 10.055 0.50 41.30 C ATOM 1801 OG1BTHR B 45 59.589 8.570 11.031 0.50 43.16 O ATOM 1802 CG2BTHR B 45 59.539 9.948 9.071 0.50 44.19 C ATOM 0 H BTHR B 45 61.996 7.668 11.101 0.50 38.42 H new ATOM 0 HA BTHR B 45 60.662 7.521 8.889 0.50 41.51 H new ATOM 0 HB BTHR B 45 61.019 9.842 10.481 0.50 41.30 H new ATOM 0 HG1BTHR B 45 59.173 9.153 11.470 0.50 43.16 H new ATOM 0 HG21BTHR B 45 59.017 10.617 9.542 0.50 44.19 H new ATOM 0 HG22BTHR B 45 60.093 10.382 8.403 0.50 44.19 H new ATOM 0 HG23BTHR B 45 58.941 9.320 8.636 0.50 44.19 H new ATOM 1803 N BALA B 46 63.310 9.281 8.695 0.50 44.57 N ATOM 1804 CA BALA B 46 64.237 9.908 7.763 0.50 45.06 C ATOM 1805 C BALA B 46 64.683 8.840 6.773 0.50 46.26 C ATOM 1806 O BALA B 46 64.737 9.076 5.566 0.50 46.90 O ATOM 1807 CB BALA B 46 65.436 10.464 8.508 0.50 45.46 C ATOM 0 H BALA B 46 63.589 9.242 9.508 0.50 44.57 H new ATOM 0 HA BALA B 46 63.807 10.644 7.300 0.50 45.06 H new ATOM 0 HB1BALA B 46 66.045 10.878 7.877 0.50 45.46 H new ATOM 0 HB2BALA B 46 65.139 11.125 9.152 0.50 45.46 H new ATOM 0 HB3BALA B 46 65.892 9.744 8.972 0.50 45.46 H new ATOM 1808 N BALA B 47 64.991 7.656 7.293 0.50 46.65 N ATOM 1809 CA BALA B 47 65.422 6.541 6.457 0.50 47.40 C ATOM 1810 C BALA B 47 64.277 6.049 5.575 0.50 48.35 C ATOM 1811 O BALA B 47 64.504 5.464 4.515 0.50 48.27 O ATOM 1812 CB BALA B 47 65.930 5.406 7.329 0.50 45.47 C ATOM 0 H BALA B 47 64.957 7.477 8.133 0.50 46.65 H new ATOM 0 HA BALA B 47 66.140 6.849 5.882 0.50 47.40 H new ATOM 0 HB1BALA B 47 66.215 4.668 6.767 0.50 45.47 H new ATOM 0 HB2BALA B 47 66.680 5.716 7.859 0.50 45.47 H new ATOM 0 HB3BALA B 47 65.220 5.107 7.918 0.50 45.47 H new ATOM 1813 N BALA B 48 63.047 6.281 6.017 0.50 49.39 N ATOM 1814 CA BALA B 48 61.879 5.852 5.252 0.50 51.33 C ATOM 1815 C BALA B 48 61.808 6.625 3.939 0.50 51.93 C ATOM 1816 O BALA B 48 61.433 6.080 2.900 0.50 51.93 O ATOM 1817 CB BALA B 48 60.605 6.081 6.067 0.50 50.57 C ATOM 0 H BALA B 48 62.865 6.684 6.755 0.50 49.39 H new ATOM 0 HA BALA B 48 61.959 4.905 5.057 0.50 51.33 H new ATOM 0 HB1BALA B 48 59.835 5.794 5.552 0.50 50.57 H new ATOM 0 HB2BALA B 48 60.651 5.571 6.891 0.50 50.57 H new ATOM 0 HB3BALA B 48 60.520 7.024 6.276 0.50 50.57 H new ATOM 1818 N BALA B 49 62.184 7.898 4.004 0.50 53.04 N ATOM 1819 CA BALA B 49 62.166 8.784 2.848 0.50 54.14 C ATOM 1820 C BALA B 49 63.328 8.554 1.880 0.50 55.17 C ATOM 1821 O BALA B 49 63.916 9.511 1.375 0.50 55.22 O ATOM 1822 CB BALA B 49 62.163 10.235 3.318 0.50 52.97 C ATOM 0 H BALA B 49 62.459 8.274 4.727 0.50 53.04 H new ATOM 0 HA BALA B 49 61.356 8.581 2.355 0.50 54.14 H new ATOM 0 HB1BALA B 49 62.151 10.825 2.548 0.50 52.97 H new ATOM 0 HB2BALA B 49 61.376 10.398 3.862 0.50 52.97 H new ATOM 0 HB3BALA B 49 62.960 10.407 3.844 0.50 52.97 H new ATOM 1823 N BTHR B 50 63.658 7.290 1.624 0.50 55.66 N ATOM 1824 CA BTHR B 50 64.738 6.953 0.697 0.50 55.61 C ATOM 1825 C BTHR B 50 64.299 5.764 -0.149 0.50 55.64 C ATOM 1826 O BTHR B 50 64.969 5.390 -1.116 0.50 56.13 O ATOM 1827 CB BTHR B 50 66.043 6.555 1.430 0.50 56.64 C ATOM 1828 OG1BTHR B 50 65.865 5.287 2.071 0.50 56.33 O ATOM 1829 CG2BTHR B 50 66.422 7.602 2.471 0.50 57.03 C ATOM 0 H BTHR B 50 63.268 6.610 1.978 0.50 55.66 H new ATOM 0 HA BTHR B 50 64.917 7.740 0.159 0.50 55.61 H new ATOM 0 HB BTHR B 50 66.757 6.497 0.776 0.50 56.64 H new ATOM 0 HG1BTHR B 50 65.455 5.395 2.796 0.50 56.33 H new ATOM 0 HG21BTHR B 50 67.240 7.334 2.917 0.50 57.03 H new ATOM 0 HG22BTHR B 50 66.558 8.458 2.035 0.50 57.03 H new ATOM 0 HG23BTHR B 50 65.709 7.682 3.124 0.50 57.03 H new ATOM 1830 N BGLY B 51 63.173 5.170 0.229 0.50 54.56 N ATOM 1831 CA BGLY B 51 62.658 4.025 -0.498 0.50 53.21 C ATOM 1832 C BGLY B 51 63.486 2.770 -0.305 0.50 51.94 C ATOM 1833 O BGLY B 51 63.125 1.698 -0.793 0.50 52.90 O ATOM 0 H BGLY B 51 62.696 5.415 0.901 0.50 54.56 H new ATOM 0 HA2BGLY B 51 61.747 3.851 -0.212 0.50 53.21 H new ATOM 0 HA3BGLY B 51 62.623 4.239 -1.443 0.50 53.21 H new ATOM 1834 N BASP B 52 64.599 2.892 0.408 0.50 50.37 N ATOM 1835 CA BASP B 52 65.464 1.745 0.643 0.50 48.27 C ATOM 1836 C BASP B 52 65.081 1.060 1.945 0.50 46.50 C ATOM 1837 O BASP B 52 65.217 1.639 3.021 0.50 46.42 O ATOM 1838 CB BASP B 52 66.927 2.185 0.710 0.50 48.75 C ATOM 1839 CG BASP B 52 67.887 1.012 0.705 0.50 49.53 C ATOM 1840 OD1BASP B 52 67.638 0.024 1.433 0.50 49.73 O ATOM 1841 OD2BASP B 52 68.898 1.079 -0.025 0.50 49.92 O ATOM 0 H BASP B 52 64.870 3.627 0.763 0.50 50.37 H new ATOM 0 HA BASP B 52 65.354 1.123 -0.093 0.50 48.27 H new ATOM 0 HB2BASP B 52 67.123 2.762 -0.044 0.50 48.75 H new ATOM 0 HB3BASP B 52 67.067 2.710 1.513 0.50 48.75 H new ATOM 1842 N BALA B 53 64.602 -0.175 1.835 0.50 45.12 N ATOM 1843 CA BALA B 53 64.193 -0.963 2.990 0.50 44.06 C ATOM 1844 C BALA B 53 65.361 -1.171 3.951 0.50 43.22 C ATOM 1845 O BALA B 53 65.230 -0.958 5.156 0.50 42.70 O ATOM 1846 CB BALA B 53 63.651 -2.313 2.531 0.50 42.42 C ATOM 0 H BALA B 53 64.505 -0.581 1.083 0.50 45.12 H new ATOM 0 HA BALA B 53 63.496 -0.478 3.459 0.50 44.06 H new ATOM 0 HB1BALA B 53 63.380 -2.833 3.304 0.50 42.42 H new ATOM 0 HB2BALA B 53 62.886 -2.175 1.951 0.50 42.42 H new ATOM 0 HB3BALA B 53 64.342 -2.791 2.046 0.50 42.42 H new ATOM 1847 N BALA B 54 66.495 -1.590 3.399 0.50 42.42 N ATOM 1848 CA BALA B 54 67.706 -1.846 4.171 0.50 41.97 C ATOM 1849 C BALA B 54 67.997 -0.744 5.180 0.50 40.85 C ATOM 1850 O BALA B 54 68.225 -1.020 6.356 0.50 41.75 O ATOM 1851 CB BALA B 54 68.897 -2.014 3.230 0.50 41.66 C ATOM 0 H BALA B 54 66.584 -1.735 2.556 0.50 42.42 H new ATOM 0 HA BALA B 54 67.560 -2.664 4.671 0.50 41.97 H new ATOM 0 HB1BALA B 54 69.699 -2.184 3.749 0.50 41.66 H new ATOM 0 HB2BALA B 54 68.735 -2.761 2.633 0.50 41.66 H new ATOM 0 HB3BALA B 54 69.015 -1.204 2.709 0.50 41.66 H new ATOM 1852 N BALA B 55 67.990 0.501 4.716 0.50 39.14 N ATOM 1853 CA BALA B 55 68.252 1.641 5.583 0.50 39.32 C ATOM 1854 C BALA B 55 67.266 1.691 6.742 0.50 39.15 C ATOM 1855 O BALA B 55 67.663 1.834 7.901 0.50 39.62 O ATOM 1856 CB BALA B 55 68.181 2.935 4.781 0.50 40.19 C ATOM 0 H BALA B 55 67.834 0.707 3.896 0.50 39.14 H new ATOM 0 HA BALA B 55 69.144 1.540 5.951 0.50 39.32 H new ATOM 0 HB1BALA B 55 68.357 3.689 5.366 0.50 40.19 H new ATOM 0 HB2BALA B 55 68.844 2.914 4.073 0.50 40.19 H new ATOM 0 HB3BALA B 55 67.297 3.027 4.392 0.50 40.19 H new ATOM 1857 N BVAL B 56 65.977 1.580 6.428 0.50 38.33 N ATOM 1858 CA BVAL B 56 64.943 1.610 7.456 0.50 36.31 C ATOM 1859 C BVAL B 56 65.199 0.480 8.442 0.50 34.97 C ATOM 1860 O BVAL B 56 65.100 0.664 9.655 0.50 33.80 O ATOM 1861 CB BVAL B 56 63.531 1.423 6.850 0.50 37.32 C ATOM 1862 CG1BVAL B 56 62.475 1.538 7.944 0.50 35.46 C ATOM 1863 CG2BVAL B 56 63.292 2.455 5.756 0.50 37.46 C ATOM 0 H BVAL B 56 65.682 1.487 5.626 0.50 38.33 H new ATOM 0 HA BVAL B 56 64.977 2.475 7.894 0.50 36.31 H new ATOM 0 HB BVAL B 56 63.468 0.539 6.455 0.50 37.32 H new ATOM 0 HG11BVAL B 56 61.593 1.420 7.557 0.50 35.46 H new ATOM 0 HG12BVAL B 56 62.628 0.854 8.615 0.50 35.46 H new ATOM 0 HG13BVAL B 56 62.531 2.414 8.358 0.50 35.46 H new ATOM 0 HG21BVAL B 56 62.406 2.331 5.382 0.50 37.46 H new ATOM 0 HG22BVAL B 56 63.362 3.347 6.131 0.50 37.46 H new ATOM 0 HG23BVAL B 56 63.956 2.346 5.057 0.50 37.46 H new ATOM 1864 N BGLN B 57 65.529 -0.693 7.911 0.50 34.26 N ATOM 1865 CA BGLN B 57 65.801 -1.850 8.751 0.50 34.75 C ATOM 1866 C BGLN B 57 66.978 -1.566 9.689 0.50 33.13 C ATOM 1867 O BGLN B 57 66.902 -1.821 10.887 0.50 32.40 O ATOM 1868 CB BGLN B 57 66.124 -3.076 7.895 0.50 35.82 C ATOM 1869 CG BGLN B 57 66.303 -4.330 8.728 0.50 37.95 C ATOM 1870 CD BGLN B 57 67.357 -5.257 8.175 0.50 40.62 C ATOM 1871 OE1BGLN B 57 68.483 -4.839 7.903 0.50 44.19 O ATOM 1872 NE2BGLN B 57 67.010 -6.529 8.022 0.50 41.32 N ATOM 0 H BGLN B 57 65.600 -0.838 7.066 0.50 34.26 H new ATOM 0 HA BGLN B 57 65.006 -2.029 9.277 0.50 34.75 H new ATOM 0 HB2BGLN B 57 65.411 -3.216 7.253 0.50 35.82 H new ATOM 0 HB3BGLN B 57 66.934 -2.909 7.388 0.50 35.82 H new ATOM 0 HG2BGLN B 57 66.542 -4.079 9.634 0.50 37.95 H new ATOM 0 HG3BGLN B 57 65.457 -4.803 8.778 0.50 37.95 H new ATOM 0 HE21BGLN B 57 66.214 -6.785 8.223 0.50 41.32 H new ATOM 0 HE22BGLN B 57 67.581 -7.098 7.722 0.50 41.32 H new ATOM 1873 N BGLU B 58 68.069 -1.047 9.136 0.50 33.38 N ATOM 1874 CA BGLU B 58 69.246 -0.729 9.939 0.50 33.77 C ATOM 1875 C BGLU B 58 68.884 0.310 11.002 0.50 31.43 C ATOM 1876 O BGLU B 58 69.317 0.212 12.147 0.50 31.78 O ATOM 1877 CB BGLU B 58 70.377 -0.210 9.034 0.50 36.70 C ATOM 1878 CG BGLU B 58 70.921 -1.276 8.086 0.50 40.94 C ATOM 1879 CD BGLU B 58 71.887 -0.737 7.025 0.50 45.10 C ATOM 1880 OE1BGLU B 58 72.381 -1.558 6.221 0.50 45.21 O ATOM 1881 OE2BGLU B 58 72.152 0.488 6.987 0.50 45.68 O ATOM 0 H BGLU B 58 68.149 -0.871 8.298 0.50 33.38 H new ATOM 0 HA BGLU B 58 69.556 -1.533 10.385 0.50 33.77 H new ATOM 0 HB2BGLU B 58 70.050 0.541 8.514 0.50 36.70 H new ATOM 0 HB3BGLU B 58 71.101 0.122 9.588 0.50 36.70 H new ATOM 0 HG2BGLU B 58 71.375 -1.957 8.607 0.50 40.94 H new ATOM 0 HG3BGLU B 58 70.176 -1.709 7.641 0.50 40.94 H new ATOM 1882 N BALA B 59 68.077 1.296 10.621 0.50 28.76 N ATOM 1883 CA BALA B 59 67.647 2.338 11.549 0.50 27.16 C ATOM 1884 C BALA B 59 66.696 1.768 12.600 0.50 26.05 C ATOM 1885 O BALA B 59 66.637 2.252 13.727 0.50 26.57 O ATOM 1886 CB BALA B 59 66.957 3.467 10.782 0.50 26.65 C ATOM 0 H BALA B 59 67.765 1.380 9.824 0.50 28.76 H new ATOM 0 HA BALA B 59 68.431 2.689 12.001 0.50 27.16 H new ATOM 0 HB1BALA B 59 66.674 4.155 11.404 0.50 26.65 H new ATOM 0 HB2BALA B 59 67.576 3.847 10.139 0.50 26.65 H new ATOM 0 HB3BALA B 59 66.183 3.115 10.315 0.50 26.65 H new ATOM 1887 N BALA B 60 65.964 0.728 12.216 0.50 24.88 N ATOM 1888 CA BALA B 60 64.995 0.079 13.089 0.50 25.17 C ATOM 1889 C BALA B 60 65.642 -0.869 14.096 0.50 24.24 C ATOM 1890 O BALA B 60 65.221 -0.945 15.250 0.50 22.29 O ATOM 1891 CB BALA B 60 63.973 -0.681 12.241 0.50 24.49 C ATOM 0 H BALA B 60 66.017 0.376 11.433 0.50 24.88 H new ATOM 0 HA BALA B 60 64.558 0.777 13.602 0.50 25.17 H new ATOM 0 HB1BALA B 60 63.328 -1.113 12.822 0.50 24.49 H new ATOM 0 HB2BALA B 60 63.514 -0.060 11.654 0.50 24.49 H new ATOM 0 HB3BALA B 60 64.429 -1.352 11.709 0.50 24.49 H new ATOM 1892 N BVAL B 61 66.653 -1.610 13.663 0.50 24.15 N ATOM 1893 CA BVAL B 61 67.320 -2.528 14.575 0.50 24.12 C ATOM 1894 C BVAL B 61 68.077 -1.693 15.609 0.50 24.27 C ATOM 1895 O BVAL B 61 68.146 -2.051 16.789 0.50 23.99 O ATOM 1896 CB BVAL B 61 68.288 -3.456 13.816 0.50 26.12 C ATOM 1897 CG1BVAL B 61 68.928 -4.460 14.785 0.50 26.86 C ATOM 1898 CG2BVAL B 61 67.529 -4.195 12.718 0.50 27.36 C ATOM 0 H BVAL B 61 66.964 -1.598 12.861 0.50 24.15 H new ATOM 0 HA BVAL B 61 66.664 -3.094 15.012 0.50 24.12 H new ATOM 0 HB BVAL B 61 68.992 -2.923 13.414 0.50 26.12 H new ATOM 0 HG11BVAL B 61 69.535 -5.039 14.297 0.50 26.86 H new ATOM 0 HG12BVAL B 61 69.419 -3.981 15.470 0.50 26.86 H new ATOM 0 HG13BVAL B 61 68.235 -4.996 15.201 0.50 26.86 H new ATOM 0 HG21BVAL B 61 68.138 -4.779 12.240 0.50 27.36 H new ATOM 0 HG22BVAL B 61 66.819 -4.724 13.115 0.50 27.36 H new ATOM 0 HG23BVAL B 61 67.146 -3.553 12.100 0.50 27.36 H new ATOM 1899 N BSER B 62 68.620 -0.566 15.149 0.50 23.89 N ATOM 1900 CA BSER B 62 69.360 0.365 15.998 0.50 23.26 C ATOM 1901 C BSER B 62 68.446 0.913 17.093 0.50 23.34 C ATOM 1902 O BSER B 62 68.790 0.903 18.282 0.50 23.30 O ATOM 1903 CB BSER B 62 69.900 1.519 15.138 0.50 23.18 C ATOM 1904 OG BSER B 62 70.200 2.673 15.910 0.50 22.08 O ATOM 0 H BSER B 62 68.568 -0.319 14.327 0.50 23.89 H new ATOM 0 HA BSER B 62 70.102 -0.100 16.415 0.50 23.26 H new ATOM 0 HB2BSER B 62 70.700 1.226 14.673 0.50 23.18 H new ATOM 0 HB3BSER B 62 69.245 1.748 14.460 0.50 23.18 H new ATOM 0 HG BSER B 62 70.213 3.349 15.411 0.50 22.08 H new ATOM 1905 N BALA B 63 67.279 1.400 16.681 0.50 22.75 N ATOM 1906 CA BALA B 63 66.303 1.948 17.622 0.50 24.05 C ATOM 1907 C BALA B 63 65.950 0.915 18.690 0.50 23.23 C ATOM 1908 O BALA B 63 65.952 1.212 19.880 0.50 25.21 O ATOM 1909 CB BALA B 63 65.044 2.384 16.867 0.50 20.88 C ATOM 0 H BALA B 63 67.031 1.423 15.858 0.50 22.75 H new ATOM 0 HA BALA B 63 66.692 2.720 18.062 0.50 24.05 H new ATOM 0 HB1BALA B 63 64.399 2.747 17.495 0.50 20.88 H new ATOM 0 HB2BALA B 63 65.277 3.063 16.214 0.50 20.88 H new ATOM 0 HB3BALA B 63 64.657 1.619 16.413 0.50 20.88 H new ATOM 1910 N BILE B 64 65.671 -0.309 18.261 0.50 24.73 N ATOM 1911 CA BILE B 64 65.305 -1.382 19.186 0.50 24.74 C ATOM 1912 C BILE B 64 66.427 -1.765 20.151 0.50 24.28 C ATOM 1913 O BILE B 64 66.200 -1.847 21.363 0.50 23.12 O ATOM 1914 CB BILE B 64 64.863 -2.640 18.418 0.50 24.34 C ATOM 1915 CG1BILE B 64 63.672 -2.303 17.516 0.50 24.48 C ATOM 1916 CG2BILE B 64 64.511 -3.757 19.409 0.50 24.55 C ATOM 1917 CD1BILE B 64 63.284 -3.440 16.571 0.50 27.45 C ATOM 0 H BILE B 64 65.687 -0.543 17.434 0.50 24.73 H new ATOM 0 HA BILE B 64 64.571 -1.029 19.713 0.50 24.74 H new ATOM 0 HB BILE B 64 65.590 -2.952 17.857 0.50 24.34 H new ATOM 0 HG12BILE B 64 62.909 -2.078 18.071 0.50 24.48 H new ATOM 0 HG13BILE B 64 63.885 -1.515 16.992 0.50 24.48 H new ATOM 0 HG21BILE B 64 64.233 -4.548 18.920 0.50 24.55 H new ATOM 0 HG22BILE B 64 65.289 -3.968 19.949 0.50 24.55 H new ATOM 0 HG23BILE B 64 63.788 -3.463 19.985 0.50 24.55 H new ATOM 0 HD11BILE B 64 62.527 -3.167 16.029 0.50 27.45 H new ATOM 0 HD12BILE B 64 64.035 -3.652 15.994 0.50 27.45 H new ATOM 0 HD13BILE B 64 63.043 -4.224 17.089 0.50 27.45 H new ATOM 1918 N BLEU B 65 67.623 -2.020 19.620 0.50 24.58 N ATOM 1919 CA BLEU B 65 68.764 -2.368 20.472 0.50 25.99 C ATOM 1920 C BLEU B 65 69.047 -1.193 21.394 0.50 25.88 C ATOM 1921 O BLEU B 65 69.387 -1.377 22.561 0.50 27.23 O ATOM 1922 CB BLEU B 65 70.014 -2.660 19.644 0.50 26.33 C ATOM 1923 CG BLEU B 65 70.161 -4.046 19.017 0.50 27.64 C ATOM 1924 CD1BLEU B 65 71.412 -4.077 18.134 0.50 26.95 C ATOM 1925 CD2BLEU B 65 70.248 -5.103 20.124 0.50 27.49 C ATOM 0 H BLEU B 65 67.795 -1.998 18.778 0.50 24.58 H new ATOM 0 HA BLEU B 65 68.543 -3.167 20.976 0.50 25.99 H new ATOM 0 HB2BLEU B 65 70.054 -2.006 18.929 0.50 26.33 H new ATOM 0 HB3BLEU B 65 70.786 -2.508 20.211 0.50 26.33 H new ATOM 0 HG BLEU B 65 69.388 -4.242 18.464 0.50 27.64 H new ATOM 0 HD11BLEU B 65 71.506 -4.957 17.736 0.50 26.95 H new ATOM 0 HD12BLEU B 65 71.330 -3.412 17.433 0.50 26.95 H new ATOM 0 HD13BLEU B 65 72.194 -3.882 18.674 0.50 26.95 H new ATOM 0 HD21BLEU B 65 70.341 -5.982 19.725 0.50 27.49 H new ATOM 0 HD22BLEU B 65 71.017 -4.920 20.687 0.50 27.49 H new ATOM 0 HD23BLEU B 65 69.441 -5.076 20.662 0.50 27.49 H new ATOM 1926 N BGLY B 66 68.906 0.017 20.861 0.50 25.73 N ATOM 1927 CA BGLY B 66 69.130 1.201 21.667 0.50 26.78 C ATOM 1928 C BGLY B 66 68.150 1.275 22.828 0.50 26.97 C ATOM 1929 O BGLY B 66 68.547 1.522 23.964 0.50 25.55 O ATOM 0 H BGLY B 66 68.684 0.169 20.044 0.50 25.73 H new ATOM 0 HA2BGLY B 66 70.038 1.195 22.008 0.50 26.78 H new ATOM 0 HA3BGLY B 66 69.039 1.993 21.114 0.50 26.78 H new ATOM 1930 N BLEU B 67 66.865 1.057 22.556 0.50 27.84 N ATOM 1931 CA BLEU B 67 65.857 1.113 23.620 0.50 28.39 C ATOM 1932 C BLEU B 67 66.149 0.078 24.705 0.50 28.37 C ATOM 1933 O BLEU B 67 65.931 0.325 25.895 0.50 29.91 O ATOM 1934 CB BLEU B 67 64.451 0.924 23.029 0.50 27.28 C ATOM 1935 CG BLEU B 67 64.007 2.149 22.225 0.50 28.29 C ATOM 1936 CD1BLEU B 67 62.826 1.815 21.336 0.50 29.30 C ATOM 1937 CD2BLEU B 67 63.666 3.285 23.191 0.50 29.29 C ATOM 0 H BLEU B 67 66.556 0.877 21.774 0.50 27.84 H new ATOM 0 HA BLEU B 67 65.895 1.988 24.037 0.50 28.39 H new ATOM 0 HB2BLEU B 67 64.442 0.141 22.457 0.50 27.28 H new ATOM 0 HB3BLEU B 67 63.818 0.759 23.745 0.50 27.28 H new ATOM 0 HG BLEU B 67 64.731 2.432 21.645 0.50 28.29 H new ATOM 0 HD11BLEU B 67 62.563 2.604 20.837 0.50 29.30 H new ATOM 0 HD12BLEU B 67 63.075 1.111 20.718 0.50 29.30 H new ATOM 0 HD13BLEU B 67 62.083 1.516 21.883 0.50 29.30 H new ATOM 0 HD21BLEU B 67 63.384 4.065 22.687 0.50 29.29 H new ATOM 0 HD22BLEU B 67 62.949 3.004 23.781 0.50 29.29 H new ATOM 0 HD23BLEU B 67 64.449 3.507 23.718 0.50 29.29 H new ATOM 1938 N BILE B 68 66.659 -1.075 24.295 0.50 29.35 N ATOM 1939 CA BILE B 68 67.021 -2.124 25.242 0.50 29.92 C ATOM 1940 C BILE B 68 68.174 -1.646 26.136 0.50 29.64 C ATOM 1941 O BILE B 68 68.130 -1.813 27.364 0.50 29.22 O ATOM 1942 CB BILE B 68 67.461 -3.399 24.508 0.50 31.06 C ATOM 1943 CG1BILE B 68 66.247 -4.048 23.835 0.50 33.83 C ATOM 1944 CG2BILE B 68 68.151 -4.353 25.485 0.50 31.41 C ATOM 1945 CD1BILE B 68 66.585 -5.241 22.933 0.50 34.04 C ATOM 0 H BILE B 68 66.804 -1.272 23.471 0.50 29.35 H new ATOM 0 HA BILE B 68 66.240 -2.322 25.781 0.50 29.92 H new ATOM 0 HB BILE B 68 68.103 -3.177 23.815 0.50 31.06 H new ATOM 0 HG12BILE B 68 65.628 -4.341 24.522 0.50 33.83 H new ATOM 0 HG13BILE B 68 65.787 -3.377 23.307 0.50 33.83 H new ATOM 0 HG21BILE B 68 68.426 -5.155 25.014 0.50 31.41 H new ATOM 0 HG22BILE B 68 68.930 -3.919 25.866 0.50 31.41 H new ATOM 0 HG23BILE B 68 67.535 -4.590 26.195 0.50 31.41 H new ATOM 0 HD11BILE B 68 65.769 -5.595 22.546 0.50 34.04 H new ATOM 0 HD12BILE B 68 67.180 -4.952 22.224 0.50 34.04 H new ATOM 0 HD13BILE B 68 67.019 -5.931 23.458 0.50 34.04 H new ATOM 1946 N BILE B 69 69.206 -1.057 25.524 0.50 27.63 N ATOM 1947 CA BILE B 69 70.352 -0.549 26.288 0.50 27.95 C ATOM 1948 C BILE B 69 69.893 0.563 27.231 0.50 28.83 C ATOM 1949 O BILE B 69 70.331 0.639 28.383 0.50 29.20 O ATOM 1950 CB BILE B 69 71.460 0.033 25.361 0.50 26.70 C ATOM 1951 CG1BILE B 69 72.094 -1.083 24.527 0.50 26.44 C ATOM 1952 CG2BILE B 69 72.534 0.720 26.193 0.50 24.33 C ATOM 1953 CD1BILE B 69 72.926 -0.578 23.351 0.50 24.29 C ATOM 0 H BILE B 69 69.262 -0.942 24.674 0.50 27.63 H new ATOM 0 HA BILE B 69 70.719 -1.298 26.783 0.50 27.95 H new ATOM 0 HB BILE B 69 71.053 0.682 24.766 0.50 26.70 H new ATOM 0 HG12BILE B 69 72.657 -1.624 25.102 0.50 26.44 H new ATOM 0 HG13BILE B 69 71.392 -1.662 24.191 0.50 26.44 H new ATOM 0 HG21BILE B 69 73.218 1.078 25.606 0.50 24.33 H new ATOM 0 HG22BILE B 69 72.136 1.442 26.703 0.50 24.33 H new ATOM 0 HG23BILE B 69 72.933 0.078 26.800 0.50 24.33 H new ATOM 0 HD11BILE B 69 73.296 -1.333 22.868 0.50 24.29 H new ATOM 0 HD12BILE B 69 72.363 -0.059 22.756 0.50 24.29 H new ATOM 0 HD13BILE B 69 73.648 -0.020 23.681 0.50 24.29 H new ATOM 1954 N BLEU B 70 69.013 1.425 26.728 0.50 29.82 N ATOM 1955 CA BLEU B 70 68.496 2.540 27.509 0.50 32.34 C ATOM 1956 C BLEU B 70 67.827 2.055 28.798 0.50 33.66 C ATOM 1957 O BLEU B 70 68.038 2.623 29.870 0.50 34.44 O ATOM 1958 CB BLEU B 70 67.500 3.347 26.678 0.50 30.28 C ATOM 1959 CG BLEU B 70 67.107 4.695 27.275 0.50 29.17 C ATOM 1960 CD1BLEU B 70 68.290 5.650 27.194 0.50 27.56 C ATOM 1961 CD2BLEU B 70 65.917 5.257 26.520 0.50 29.29 C ATOM 0 H BLEU B 70 68.701 1.379 25.928 0.50 29.82 H new ATOM 0 HA BLEU B 70 69.245 3.106 27.752 0.50 32.34 H new ATOM 0 HB2BLEU B 70 67.879 3.496 25.798 0.50 30.28 H new ATOM 0 HB3BLEU B 70 66.697 2.817 26.555 0.50 30.28 H new ATOM 0 HG BLEU B 70 66.860 4.582 28.206 0.50 29.17 H new ATOM 0 HD11BLEU B 70 68.041 6.507 27.573 0.50 27.56 H new ATOM 0 HD12BLEU B 70 69.038 5.282 27.691 0.50 27.56 H new ATOM 0 HD13BLEU B 70 68.546 5.770 26.266 0.50 27.56 H new ATOM 0 HD21BLEU B 70 65.668 6.114 26.900 0.50 29.29 H new ATOM 0 HD22BLEU B 70 66.152 5.374 25.586 0.50 29.29 H new ATOM 0 HD23BLEU B 70 65.169 4.643 26.590 0.50 29.29 H new ATOM 1962 N BLEU B 71 67.019 1.006 28.699 0.50 35.99 N ATOM 1963 CA BLEU B 71 66.368 0.473 29.891 0.50 37.83 C ATOM 1964 C BLEU B 71 67.433 0.030 30.892 0.50 38.43 C ATOM 1965 O BLEU B 71 67.264 0.182 32.102 0.50 40.53 O ATOM 1966 CB BLEU B 71 65.470 -0.712 29.540 0.50 37.53 C ATOM 1967 CG BLEU B 71 65.018 -1.537 30.757 0.50 39.43 C ATOM 1968 CD1BLEU B 71 64.325 -0.633 31.769 0.50 38.29 C ATOM 1969 CD2BLEU B 71 64.093 -2.668 30.304 0.50 37.53 C ATOM 0 H BLEU B 71 66.836 0.594 27.966 0.50 35.99 H new ATOM 0 HA BLEU B 71 65.816 1.169 30.280 0.50 37.83 H new ATOM 0 HB2BLEU B 71 64.685 -0.384 29.074 0.50 37.53 H new ATOM 0 HB3BLEU B 71 65.943 -1.293 28.925 0.50 37.53 H new ATOM 0 HG BLEU B 71 65.793 -1.932 31.185 0.50 39.43 H new ATOM 0 HD11BLEU B 71 64.043 -1.159 32.533 0.50 38.29 H new ATOM 0 HD12BLEU B 71 64.941 0.057 32.062 0.50 38.29 H new ATOM 0 HD13BLEU B 71 63.550 -0.220 31.357 0.50 38.29 H new ATOM 0 HD21BLEU B 71 63.811 -3.185 31.075 0.50 37.53 H new ATOM 0 HD22BLEU B 71 63.314 -2.293 29.865 0.50 37.53 H new ATOM 0 HD23BLEU B 71 64.566 -3.245 29.684 0.50 37.53 H new ATOM 1970 N BGLY B 72 68.530 -0.517 30.379 0.50 37.97 N ATOM 1971 CA BGLY B 72 69.602 -0.961 31.246 0.50 36.80 C ATOM 1972 C BGLY B 72 70.250 0.209 31.964 0.50 36.16 C ATOM 1973 O BGLY B 72 70.613 0.108 33.130 0.50 35.68 O ATOM 0 H BGLY B 72 68.669 -0.637 29.539 0.50 37.97 H new ATOM 0 HA2BGLY B 72 69.255 -1.591 31.897 0.50 36.80 H new ATOM 0 HA3BGLY B 72 70.269 -1.432 30.723 0.50 36.80 H new ATOM 1974 N BILE B 73 70.402 1.327 31.265 0.50 35.83 N ATOM 1975 CA BILE B 73 71.005 2.503 31.871 0.50 35.30 C ATOM 1976 C BILE B 73 70.084 3.028 32.963 0.50 36.33 C ATOM 1977 O BILE B 73 70.508 3.291 34.087 0.50 35.45 O ATOM 1978 CB BILE B 73 71.213 3.624 30.841 0.50 33.73 C ATOM 1979 CG1BILE B 73 72.083 3.115 29.687 0.50 34.37 C ATOM 1980 CG2BILE B 73 71.858 4.830 31.519 0.50 33.50 C ATOM 1981 CD1BILE B 73 72.278 4.119 28.570 0.50 30.73 C ATOM 0 H BILE B 73 70.164 1.424 30.444 0.50 35.83 H new ATOM 0 HA BILE B 73 71.867 2.244 32.231 0.50 35.30 H new ATOM 0 HB BILE B 73 70.356 3.897 30.479 0.50 33.73 H new ATOM 0 HG12BILE B 73 72.952 2.862 30.037 0.50 34.37 H new ATOM 0 HG13BILE B 73 71.680 2.312 29.321 0.50 34.37 H new ATOM 0 HG21BILE B 73 71.988 5.536 30.867 0.50 33.50 H new ATOM 0 HG22BILE B 73 71.280 5.149 32.230 0.50 33.50 H new ATOM 0 HG23BILE B 73 72.716 4.572 31.891 0.50 33.50 H new ATOM 0 HD11BILE B 73 72.836 3.730 27.878 0.50 30.73 H new ATOM 0 HD12BILE B 73 71.416 4.356 28.194 0.50 30.73 H new ATOM 0 HD13BILE B 73 72.707 4.915 28.921 0.50 30.73 H new ATOM 1982 N BASN B 74 68.812 3.177 32.622 0.50 38.33 N ATOM 1983 CA BASN B 74 67.840 3.682 33.575 0.50 39.98 C ATOM 1984 C BASN B 74 67.755 2.820 34.820 0.50 41.36 C ATOM 1985 O BASN B 74 67.838 3.321 35.951 0.50 40.46 O ATOM 1986 CB BASN B 74 66.478 3.797 32.904 0.50 39.86 C ATOM 1987 CG BASN B 74 66.427 4.947 31.925 0.50 39.77 C ATOM 1988 OD1BASN B 74 67.140 6.030 32.220 0.50 40.32 O flip ATOM 1989 ND2BASN B 74 65.750 4.850 30.900 0.50 36.57 N flip ATOM 0 H BASN B 74 68.493 2.992 31.845 0.50 38.33 H new ATOM 0 HA BASN B 74 68.134 4.560 33.864 0.50 39.98 H new ATOM 0 HB2BASN B 74 66.275 2.969 32.441 0.50 39.86 H new ATOM 0 HB3BASN B 74 65.794 3.918 33.581 0.50 39.86 H new ATOM 0 HD21BASN B 74 65.303 4.132 30.746 0.50 36.57 H new ATOM 0 HD22BASN B 74 65.725 5.501 30.338 0.50 36.57 H new ATOM 1990 N BLEU B 75 67.605 1.520 34.609 0.50 42.29 N ATOM 1991 CA BLEU B 75 67.512 0.586 35.716 0.50 44.50 C ATOM 1992 C BLEU B 75 68.718 0.793 36.635 0.50 45.91 C ATOM 1993 O BLEU B 75 68.573 0.888 37.861 0.50 45.73 O ATOM 1994 CB BLEU B 75 67.480 -0.844 35.172 0.50 45.27 C ATOM 1995 CG BLEU B 75 66.600 -1.856 35.909 0.50 46.81 C ATOM 1996 CD1BLEU B 75 65.190 -1.303 36.072 0.50 45.70 C ATOM 1997 CD2BLEU B 75 66.577 -3.163 35.124 0.50 47.01 C ATOM 0 H BLEU B 75 67.555 1.159 33.830 0.50 42.29 H new ATOM 0 HA BLEU B 75 66.699 0.738 36.222 0.50 44.50 H new ATOM 0 HB2BLEU B 75 67.186 -0.807 34.248 0.50 45.27 H new ATOM 0 HB3BLEU B 75 68.389 -1.184 35.167 0.50 45.27 H new ATOM 0 HG BLEU B 75 66.963 -2.022 36.793 0.50 46.81 H new ATOM 0 HD11BLEU B 75 64.640 -1.951 36.540 0.50 45.70 H new ATOM 0 HD12BLEU B 75 65.222 -0.479 36.582 0.50 45.70 H new ATOM 0 HD13BLEU B 75 64.808 -1.127 35.198 0.50 45.70 H new ATOM 0 HD21BLEU B 75 66.020 -3.809 35.587 0.50 47.01 H new ATOM 0 HD22BLEU B 75 66.217 -3.002 34.238 0.50 47.01 H new ATOM 0 HD23BLEU B 75 67.479 -3.511 35.047 0.50 47.01 H new ATOM 1998 N BGLY B 76 69.905 0.882 36.032 0.50 46.48 N ATOM 1999 CA BGLY B 76 71.121 1.081 36.803 0.50 46.80 C ATOM 2000 C BGLY B 76 71.097 2.393 37.560 0.50 47.30 C ATOM 2001 O BGLY B 76 71.594 2.487 38.681 0.50 47.84 O ATOM 0 H BGLY B 76 70.022 0.829 35.182 0.50 46.48 H new ATOM 0 HA2BGLY B 76 71.231 0.348 37.429 0.50 46.80 H new ATOM 0 HA3BGLY B 76 71.887 1.064 36.209 0.50 46.80 H new ATOM 2002 N BLEU B 77 70.523 3.411 36.931 0.50 47.88 N ATOM 2003 CA BLEU B 77 70.402 4.732 37.529 0.50 48.64 C ATOM 2004 C BLEU B 77 69.391 4.700 38.681 0.50 49.27 C ATOM 2005 O BLEU B 77 69.410 5.561 39.557 0.50 48.85 O ATOM 2006 CB BLEU B 77 69.946 5.735 36.465 0.50 49.39 C ATOM 2007 CG BLEU B 77 69.564 7.143 36.926 0.50 50.99 C ATOM 2008 CD1BLEU B 77 70.805 7.893 37.391 0.50 50.47 C ATOM 2009 CD2BLEU B 77 68.886 7.883 35.776 0.50 51.05 C ATOM 0 H BLEU B 77 70.191 3.354 36.140 0.50 47.88 H new ATOM 0 HA BLEU B 77 71.265 5.003 37.879 0.50 48.64 H new ATOM 0 HB2BLEU B 77 70.657 5.819 35.811 0.50 49.39 H new ATOM 0 HB3BLEU B 77 69.181 5.354 36.006 0.50 49.39 H new ATOM 0 HG BLEU B 77 68.946 7.086 37.672 0.50 50.99 H new ATOM 0 HD11BLEU B 77 70.555 8.784 37.681 0.50 50.47 H new ATOM 0 HD12BLEU B 77 71.214 7.416 38.130 0.50 50.47 H new ATOM 0 HD13BLEU B 77 71.438 7.958 36.659 0.50 50.47 H new ATOM 0 HD21BLEU B 77 68.642 8.776 36.065 0.50 51.05 H new ATOM 0 HD22BLEU B 77 69.496 7.942 35.024 0.50 51.05 H new ATOM 0 HD23BLEU B 77 68.088 7.402 35.507 0.50 51.05 H new ATOM 2010 N BVAL B 78 68.504 3.709 38.674 0.50 50.07 N ATOM 2011 CA BVAL B 78 67.502 3.585 39.731 0.50 51.08 C ATOM 2012 C BVAL B 78 68.036 2.768 40.909 0.50 51.50 C ATOM 2013 O BVAL B 78 67.875 3.159 42.069 0.50 51.03 O ATOM 2014 CB BVAL B 78 66.211 2.914 39.212 0.50 50.59 C ATOM 2015 CG1BVAL B 78 65.222 2.742 40.351 0.50 51.00 C ATOM 2016 CG2BVAL B 78 65.597 3.752 38.104 0.50 49.92 C ATOM 0 H BVAL B 78 68.465 3.099 38.069 0.50 50.07 H new ATOM 0 HA BVAL B 78 67.299 4.487 40.026 0.50 51.08 H new ATOM 0 HB BVAL B 78 66.431 2.040 38.855 0.50 50.59 H new ATOM 0 HG11BVAL B 78 64.414 2.320 40.018 0.50 51.00 H new ATOM 0 HG12BVAL B 78 65.616 2.185 41.041 0.50 51.00 H new ATOM 0 HG13BVAL B 78 65.003 3.610 40.723 0.50 51.00 H new ATOM 0 HG21BVAL B 78 64.788 3.323 37.784 0.50 49.92 H new ATOM 0 HG22BVAL B 78 65.382 4.634 38.446 0.50 49.92 H new ATOM 0 HG23BVAL B 78 66.229 3.835 37.373 0.50 49.92 H new ATOM 2017 N BALA B 79 68.673 1.640 40.598 0.50 52.36 N ATOM 2018 CA BALA B 79 69.238 0.748 41.610 0.50 52.45 C ATOM 2019 C BALA B 79 70.635 1.180 42.046 0.50 53.27 C ATOM 2020 O BALA B 79 71.521 0.343 42.243 0.50 53.63 O ATOM 2021 CB BALA B 79 69.286 -0.678 41.075 0.50 52.84 C ATOM 0 H BALA B 79 68.790 1.369 39.790 0.50 52.36 H new ATOM 0 HA BALA B 79 68.661 0.792 42.389 0.50 52.45 H new ATOM 0 HB1BALA B 79 69.661 -1.265 41.750 0.50 52.84 H new ATOM 0 HB2BALA B 79 68.388 -0.972 40.855 0.50 52.84 H new ATOM 0 HB3BALA B 79 69.839 -0.707 40.279 0.50 52.84 H new TER 2022 ALA B 79 HETATM 2023 C1 BBOG A 300 87.800 13.576 54.484 0.50 62.58 C HETATM 2024 O1 BBOG A 300 86.518 12.954 54.442 0.50 59.70 O HETATM 2025 C2 BBOG A 300 88.174 13.848 55.960 0.50 63.79 C HETATM 2026 O2 BBOG A 300 87.182 14.698 56.534 0.50 66.25 O HETATM 2027 C3 BBOG A 300 89.572 14.514 56.018 0.50 64.74 C HETATM 2028 O3 BBOG A 300 89.917 14.783 57.366 0.50 64.88 O HETATM 2029 C4 BBOG A 300 90.588 13.544 55.380 0.50 64.63 C HETATM 2030 O4 BBOG A 300 91.901 14.118 55.432 0.50 64.43 O HETATM 2031 C5 BBOG A 300 90.170 13.262 53.881 0.50 64.91 C HETATM 2032 O5 BBOG A 300 88.824 12.704 53.875 0.50 64.16 O HETATM 2033 C6 BBOG A 300 91.113 12.256 53.192 0.50 65.15 C HETATM 2034 O6 BBOG A 300 92.471 12.688 53.184 0.50 68.68 O HETATM 2035 C1'BBOG A 300 86.050 12.691 53.134 0.50 54.01 C HETATM 2036 C2'BBOG A 300 85.063 13.779 52.846 0.50 51.39 C HETATM 2037 C3'BBOG A 300 84.735 13.764 51.398 0.50 49.12 C HETATM 2038 C4'BBOG A 300 83.765 14.854 51.080 0.50 49.14 C HETATM 2039 C5'BBOG A 300 83.446 14.837 49.617 0.50 46.38 C HETATM 2040 C6'BBOG A 300 82.469 15.936 49.261 0.50 43.61 C HETATM 2041 C7'BBOG A 300 82.214 15.870 47.791 0.50 44.73 C HETATM 2042 C8'BBOG A 300 81.243 16.910 47.412 0.50 44.49 C HETATM 0 H8'3BBOG A 300 80.411 16.766 47.890 0.50 44.49 H new HETATM 0 H8'2BBOG A 300 81.599 17.783 47.639 0.50 44.49 H new HETATM 0 H8'1BBOG A 300 81.078 16.866 46.457 0.50 44.49 H new HETATM 0 H7'2BBOG A 300 83.043 15.995 47.303 0.50 44.73 H new HETATM 0 H7'1BBOG A 300 81.874 14.994 47.551 0.50 44.73 H new HETATM 0 H6'2BBOG A 300 81.641 15.826 49.754 0.50 43.61 H new HETATM 0 H6'1BBOG A 300 82.831 16.803 49.504 0.50 43.61 H new HETATM 0 H5'2BBOG A 300 84.262 14.946 49.104 0.50 46.38 H new HETATM 0 H5'1BBOG A 300 83.071 13.976 49.374 0.50 46.38 H new HETATM 0 H4'2BBOG A 300 82.953 14.737 51.598 0.50 49.14 H new HETATM 0 H4'1BBOG A 300 84.139 15.714 51.328 0.50 49.14 H new HETATM 0 H3'2BBOG A 300 85.544 13.878 50.875 0.50 49.12 H new HETATM 0 H3'1BBOG A 300 84.358 12.904 51.153 0.50 49.12 H new HETATM 0 H2'2BBOG A 300 84.259 13.650 53.373 0.50 51.39 H new HETATM 0 H2'1BBOG A 300 85.431 14.640 53.097 0.50 51.39 H new HETATM 0 H1'2BBOG A 300 86.778 12.699 52.493 0.50 54.01 H new HETATM 0 H1'1BBOG A 300 85.634 11.817 53.080 0.50 54.01 H new HETATM 0 HO6BBOG A 300 92.947 12.111 52.802 0.50 68.68 H new HETATM 0 HO4BBOG A 300 92.368 13.808 54.806 0.50 64.43 H new HETATM 0 HO3BBOG A 300 90.747 14.697 57.466 0.50 64.88 H new HETATM 0 HO2BBOG A 300 86.431 14.514 56.205 0.50 66.25 H new HETATM 0 H62BBOG A 300 91.053 11.400 53.645 0.50 65.15 H new HETATM 0 H61BBOG A 300 90.817 12.115 52.279 0.50 65.15 H new HETATM 0 H5 BBOG A 300 90.217 14.100 53.395 0.50 64.91 H new HETATM 0 H4 BBOG A 300 90.595 12.707 55.870 0.50 64.63 H new HETATM 0 H3 BBOG A 300 89.572 15.355 55.534 0.50 64.74 H new HETATM 0 H2 BBOG A 300 88.208 13.019 56.462 0.50 63.79 H new HETATM 0 H1 BBOG A 300 87.765 14.407 53.984 0.50 62.58 H new HETATM 2043 C1 BRET A 301 85.887 0.508 26.390 0.50 16.30 C HETATM 2044 C2 BRET A 301 86.363 -0.517 25.339 0.50 16.74 C HETATM 2045 C3 BRET A 301 87.155 -1.661 25.856 0.50 16.97 C HETATM 2046 C4 BRET A 301 86.505 -2.367 27.036 0.50 16.28 C HETATM 2047 C5 BRET A 301 85.936 -1.434 28.119 0.50 16.85 C HETATM 2048 C6 BRET A 301 85.689 -0.090 27.831 0.50 16.25 C HETATM 2049 C7 BRET A 301 85.232 0.731 28.982 0.50 16.13 C HETATM 2050 C8 BRET A 301 84.925 2.081 29.053 0.50 17.80 C HETATM 2051 C9 BRET A 301 84.468 2.817 30.219 0.50 19.04 C HETATM 2052 C10BRET A 301 84.260 4.170 30.004 0.50 19.10 C HETATM 2053 C11BRET A 301 83.787 5.025 31.133 0.50 22.87 C HETATM 2054 C12BRET A 301 83.591 6.392 30.898 0.50 24.83 C HETATM 2055 C13BRET A 301 83.115 7.242 32.033 0.50 27.99 C HETATM 2056 C14BRET A 301 82.877 8.586 31.994 0.50 29.75 C HETATM 2057 C15BRET A 301 82.956 9.646 31.017 0.50 28.46 C HETATM 2058 C16BRET A 301 86.946 1.673 26.445 0.50 14.11 C HETATM 2059 C17BRET A 301 84.540 1.032 25.731 0.50 15.24 C HETATM 2060 C18BRET A 301 85.804 -2.210 29.402 0.50 14.20 C HETATM 2061 C19BRET A 301 84.259 2.114 31.525 0.50 17.74 C HETATM 2062 C20BRET A 301 82.859 6.647 33.355 0.50 29.88 C HETATM 0 H203BRET A 301 82.174 5.965 33.276 0.50 29.88 H new HETATM 0 H202BRET A 301 83.675 6.247 33.694 0.50 29.88 H new HETATM 0 H201BRET A 301 82.559 7.336 33.968 0.50 29.88 H new HETATM 0 H193BRET A 301 83.592 1.419 31.415 0.50 17.74 H new HETATM 0 H192BRET A 301 85.095 1.717 31.816 0.50 17.74 H new HETATM 0 H191BRET A 301 83.955 2.751 32.191 0.50 17.74 H new HETATM 0 H183BRET A 301 85.205 -2.961 29.266 0.50 14.20 H new HETATM 0 H182BRET A 301 86.676 -2.537 29.674 0.50 14.20 H new HETATM 0 H181BRET A 301 85.446 -1.633 30.094 0.50 14.20 H new HETATM 0 H173BRET A 301 84.735 1.429 24.868 0.50 15.24 H new HETATM 0 H172BRET A 301 83.927 0.290 25.614 0.50 15.24 H new HETATM 0 H171BRET A 301 84.134 1.697 26.309 0.50 15.24 H new HETATM 0 H163BRET A 301 87.811 1.313 26.696 0.50 14.11 H new HETATM 0 H162BRET A 301 87.011 2.093 25.573 0.50 14.11 H new HETATM 0 H161BRET A 301 86.669 2.332 27.100 0.50 14.11 H new HETATM 0 H8 BRET A 301 85.027 2.590 28.234 0.50 17.80 H new HETATM 0 H7 BRET A 301 85.133 0.245 29.816 0.50 16.13 H new HETATM 0 H42BRET A 301 85.788 -2.930 26.704 0.50 16.28 H new HETATM 0 H41BRET A 301 87.160 -2.954 27.445 0.50 16.28 H new HETATM 0 H32BRET A 301 87.290 -2.301 25.140 0.50 16.97 H new HETATM 0 H31BRET A 301 88.032 -1.344 26.122 0.50 16.97 H new HETATM 0 H22BRET A 301 85.584 -0.868 24.880 0.50 16.74 H new HETATM 0 H21BRET A 301 86.897 -0.050 24.677 0.50 16.74 H new HETATM 0 H14BRET A 301 82.573 8.918 32.853 0.50 29.75 H new HETATM 0 H12BRET A 301 83.759 6.777 30.024 0.50 24.83 H new HETATM 0 H11BRET A 301 83.619 4.643 32.009 0.50 22.87 H new HETATM 0 H10BRET A 301 84.420 4.558 29.129 0.50 19.10 H new HETATM 2063 O BHOH A 302 83.501 10.908 26.268 0.50 28.04 O HETATM 2064 O BHOH A 303 81.288 11.090 24.046 0.50 48.12 O HETATM 2065 O BHOH A 304 78.121 11.204 22.975 0.50 17.20 O HETATM 2066 O BHOH A 305 81.449 2.741 24.456 0.50 29.90 O HETATM 2067 O BHOH A 306 82.190 3.709 21.937 0.50 20.83 O HETATM 2068 O BHOH A 307 80.107 2.848 20.400 0.50 12.49 O HETATM 2069 O BHOH A 308 83.202 7.102 18.123 0.50 27.71 O HETATM 2070 O BHOH A 309 81.301 6.648 37.265 0.50 31.16 O HETATM 2071 O BHOH A 310 89.032 5.938 25.856 0.50 21.20 O HETATM 2072 O BHOH A 311 93.285 6.716 31.783 0.50 17.32 O HETATM 2073 O BHOH A 312 87.271 0.399 13.673 0.50 42.25 O HETATM 2074 O BHOH A 313 78.790 3.167 11.729 0.50 18.89 O HETATM 2075 O BHOH A 314 76.552 2.594 12.718 0.50 32.31 O HETATM 2076 O BHOH A 315 93.752 8.173 49.887 0.50 49.78 O HETATM 2077 O BHOH A 316 83.221 -6.210 12.924 0.50 32.39 O HETATM 2078 O BHOH A 317 91.728 9.379 51.963 0.50 45.46 O HETATM 2079 O BHOH A 318 93.216 8.844 54.010 0.50 47.14 O HETATM 2080 O BHOH A 319 95.366 1.690 52.520 0.50 31.84 O HETATM 2081 O BHOH A 320 93.340 3.167 54.551 0.50 25.55 O HETATM 2082 O BHOH A 321 88.427 8.350 58.094 0.50 31.66 O HETATM 2083 O BHOH A 322 82.089 6.901 61.824 0.50 38.92 O HETATM 2084 O BHOH A 323 82.886 12.582 57.978 0.50 32.59 O HETATM 2085 O BHOH A 324 84.235 13.238 55.879 0.50 30.52 O HETATM 2086 O BHOH A 325 83.317 15.733 55.548 0.50 46.93 O HETATM 2087 O BHOH A 326 73.602 14.626 53.668 0.50 41.61 O HETATM 2088 O BHOH A 327 76.901 9.371 52.927 0.50 57.60 O HETATM 2089 O BHOH A 328 82.105 15.325 37.918 0.50 12.18 O HETATM 2090 O BHOH A 329 85.496 2.189 14.254 0.50 32.97 O HETATM 2091 O BHOH B 167 72.899 7.904 12.389 0.50 24.79 O HETATM 2092 O BHOH B 168 68.388 4.173 15.144 0.50 17.98 O