USER MOD reduce.3.24.130724 H: found=0, std=0, add=2146, rem=0, adj=53 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 HZ1B: A 205 LYS NZ B: A 301 RET C15B:(NH2R) USER MOD NoAdj-H: A 205 LYS HZ2B: A 205 LYS NZ B: A 301 RET C15B:(NH2R) USER MOD Set 1.1: A 199 TYR OH B: rot 175:sc= 0.177 USER MOD Set 1.2: B 74 ASN B: amide:sc= -0.337 K(o=-0.16,f=-1.8!) USER MOD Set 2.1: A 189 THR OG1B: rot -72:sc= 0.172 USER MOD Set 2.2: B 62 SER OG B: rot 40:sc= 0.278 USER MOD Set 3.1: A 174 TYR OH B: rot 174:sc= 1.06 USER MOD Set 3.2: A 204 THR OG1B: rot -71:sc= 0.256 USER MOD Set 4.1: A 145 MET CE B:methyl 149:sc= -0.036 (180deg=-0.963) USER MOD Set 4.2: A 160 TYR OH B: rot 180:sc= 0.876 USER MOD Set 5.1: A 80 THR OG1B: rot -71:sc= 1.52 USER MOD Set 5.2: A 105 ASN B:FLIP amide:sc= -0.617 F(o=-0.26!,f=0.9) USER MOD Set 5.3: A 109 MET CE B:methyl -174:sc= 0 (180deg=-0.0575) USER MOD Set 6.1: A 19 THR OG1B: rot 70:sc= 1.02 USER MOD Set 6.2: A 44 SER OG B: rot 81:sc= 0.146 USER MOD Set 7.1: A 36 TYR OH B: rot -60:sc= -0.107 USER MOD Set 7.2: A 300 BOG O6 B: rot -65:sc= 0.0326 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 -156:sc= -1.33 (180deg=-3!) USER MOD Single : A 31 SER OG B: rot 180:sc= 0 USER MOD Single : A 37 TYR OH B: rot 130:sc= 0 USER MOD Single : A 39 THR OG1B: rot 77:sc= 1.11 USER MOD Single : A 51 TYR OH B: rot -16:sc= 0.552 USER MOD Single : A 54 MET CE B:methyl -170:sc= -0.0302 (180deg=-0.187) USER MOD Single : A 67 THR OG1B: rot 180:sc= 0 USER MOD Single : A 73 TYR OH B: rot 180:sc= 0 USER MOD Single : A 79 THR OG1B: rot -68:sc= 0.0608 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 81:sc= 1.3 USER MOD Single : A 106 THR OG1B: rot 77:sc= 1.14 USER MOD Single : A 117 MET CE B:methyl 172:sc= 0 (180deg=-0.012) USER MOD Single : A 124 TYR OH B: rot 180:sc= 0 USER MOD Single : A 129 MET CE B:methyl -125:sc= -3.65! (180deg=-10.4!) 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 146 THR OG1B: rot 54:sc= 0.859 USER MOD Single : A 148 SER OG B: rot -85:sc= 0.651 USER MOD Single : A 150 SER OG B: rot 68:sc= 0.59 USER MOD Single : A 151 GLN B:FLIP amide:sc= 0.92 F(o=-1,f=0.92) USER MOD Single : A 153 SER OG B: rot 125:sc= 0.0436 USER MOD Single : A 154 SER OG B: rot 180:sc= 0 USER MOD Single : A 157 LYS NZ B:NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD Single : A 158 SER OG B: rot 180:sc= 0 USER MOD Single : A 165 ASN B: amide:sc= 0.861 K(o=0.86,f=-7.7!) USER MOD Single : A 167 THR OG1B: rot 85:sc= 0.726 USER MOD Single : A 191 THR OG1B: rot 134:sc= 0.441 USER MOD Single : A 205 LYS NZ B:NH3+ 155:sc= -1.66 (180deg=-1.67) USER MOD Single : A 218 THR OG1B: rot 180:sc= 0 USER MOD Single : A 300 BOG O2 B: rot 27:sc= 0.0288 USER MOD Single : A 300 BOG O3 B: rot -20:sc= 0.00216 USER MOD Single : A 300 BOG O4 B: rot 147:sc= -0.0674 USER MOD Single : B 33 THR OG1B: rot 80:sc= 0.618 USER MOD Single : B 41 TYR OH B: rot 180:sc= 0 USER MOD Single : B 45 THR OG1B: rot 64:sc= -0.283 USER MOD Single : B 50 THR OG1B: rot -55:sc= 1.3 USER MOD Single : B 57 GLN B: amide:sc=-0.00199 X(o=-0.002,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N BGLY A 3 71.485 17.128 14.497 0.40 33.82 N ATOM 2 CA BGLY A 3 71.178 15.822 15.141 0.40 31.78 C ATOM 3 C BGLY A 3 72.260 15.440 16.134 0.40 30.24 C ATOM 4 O BGLY A 3 72.107 15.625 17.346 0.40 30.08 O ATOM 0 HA2BGLY A 3 70.322 15.874 15.594 0.40 31.78 H new ATOM 0 HA3BGLY A 3 71.099 15.133 14.463 0.40 31.78 H new ATOM 5 N BLEU A 4 73.354 14.895 15.617 0.40 28.19 N ATOM 6 CA BLEU A 4 74.472 14.509 16.460 0.40 26.96 C ATOM 7 C BLEU A 4 74.969 15.713 17.243 0.40 25.66 C ATOM 8 O BLEU A 4 75.115 15.649 18.463 0.40 26.15 O ATOM 9 CB BLEU A 4 75.622 13.951 15.615 0.40 25.53 C ATOM 10 CG BLEU A 4 75.483 12.496 15.174 0.40 27.92 C ATOM 11 CD1BLEU A 4 76.580 12.133 14.197 0.40 26.60 C ATOM 12 CD2BLEU A 4 75.532 11.597 16.402 0.40 25.74 C ATOM 0 H BLEU A 4 73.467 14.741 14.779 0.40 28.19 H new ATOM 0 HA BLEU A 4 74.167 13.821 17.072 0.40 26.96 H new ATOM 0 HB2BLEU A 4 75.715 14.503 14.823 0.40 25.53 H new ATOM 0 HB3BLEU A 4 76.445 14.040 16.121 0.40 25.53 H new ATOM 0 HG BLEU A 4 74.633 12.373 14.723 0.40 27.92 H new ATOM 0 HD11BLEU A 4 76.479 11.207 13.926 0.40 26.60 H new ATOM 0 HD12BLEU A 4 76.521 12.706 13.417 0.40 26.60 H new ATOM 0 HD13BLEU A 4 77.444 12.253 14.621 0.40 26.60 H new ATOM 0 HD21BLEU A 4 75.444 10.670 16.129 0.40 25.74 H new ATOM 0 HD22BLEU A 4 76.378 11.720 16.860 0.40 25.74 H new ATOM 0 HD23BLEU A 4 74.805 11.827 17.001 0.40 25.74 H new ATOM 13 N BTHR A 5 75.222 16.817 16.545 0.40 25.50 N ATOM 14 CA BTHR A 5 75.733 17.997 17.224 0.40 24.94 C ATOM 15 C BTHR A 5 74.781 18.561 18.264 0.40 23.43 C ATOM 16 O BTHR A 5 75.219 19.203 19.212 0.40 23.79 O ATOM 17 CB BTHR A 5 76.176 19.108 16.215 0.40 26.82 C ATOM 18 OG1BTHR A 5 75.155 19.328 15.239 0.40 29.44 O ATOM 19 CG2BTHR A 5 77.480 18.693 15.510 0.40 26.78 C ATOM 0 H BTHR A 5 75.107 16.901 15.697 0.40 25.50 H new ATOM 0 HA BTHR A 5 76.518 17.692 17.706 0.40 24.94 H new ATOM 0 HB BTHR A 5 76.326 19.930 16.708 0.40 26.82 H new ATOM 0 HG1BTHR A 5 75.403 19.927 14.704 0.40 29.44 H new ATOM 0 HG21BTHR A 5 77.746 19.387 14.887 0.40 26.78 H new ATOM 0 HG22BTHR A 5 78.179 18.566 16.171 0.40 26.78 H new ATOM 0 HG23BTHR A 5 77.337 17.864 15.027 0.40 26.78 H new ATOM 20 N BTHR A 6 73.484 18.318 18.113 0.40 21.66 N ATOM 21 CA BTHR A 6 72.537 18.803 19.102 0.40 21.07 C ATOM 22 C BTHR A 6 72.748 17.991 20.376 0.40 19.52 C ATOM 23 O BTHR A 6 72.757 18.525 21.484 0.40 19.83 O ATOM 24 CB BTHR A 6 71.077 18.639 18.623 0.40 23.63 C ATOM 25 OG1BTHR A 6 70.876 19.429 17.448 0.40 26.12 O ATOM 26 CG2BTHR A 6 70.115 19.106 19.697 0.40 24.15 C ATOM 0 H BTHR A 6 73.139 17.882 17.457 0.40 21.66 H new ATOM 0 HA BTHR A 6 72.687 19.749 19.253 0.40 21.07 H new ATOM 0 HB BTHR A 6 70.913 17.702 18.432 0.40 23.63 H new ATOM 0 HG1BTHR A 6 70.084 19.341 17.183 0.40 26.12 H new ATOM 0 HG21BTHR A 6 69.203 18.998 19.384 0.40 24.15 H new ATOM 0 HG22BTHR A 6 70.245 18.578 20.500 0.40 24.15 H new ATOM 0 HG23BTHR A 6 70.280 20.041 19.895 0.40 24.15 H new ATOM 27 N BLEU A 7 72.951 16.691 20.208 0.40 18.28 N ATOM 28 CA BLEU A 7 73.188 15.826 21.346 0.40 19.14 C ATOM 29 C BLEU A 7 74.522 16.174 21.997 0.40 17.11 C ATOM 30 O BLEU A 7 74.629 16.190 23.229 0.40 18.95 O ATOM 31 CB BLEU A 7 73.167 14.355 20.906 0.40 19.70 C ATOM 32 CG BLEU A 7 71.761 13.797 20.617 0.40 22.42 C ATOM 33 CD1BLEU A 7 71.842 12.392 20.017 0.40 21.24 C ATOM 34 CD2BLEU A 7 70.961 13.768 21.917 0.40 23.62 C ATOM 0 H BLEU A 7 72.955 16.294 19.445 0.40 18.28 H new ATOM 0 HA BLEU A 7 72.483 15.960 21.998 0.40 19.14 H new ATOM 0 HB2BLEU A 7 73.711 14.260 20.109 0.40 19.70 H new ATOM 0 HB3BLEU A 7 73.581 13.816 21.598 0.40 19.70 H new ATOM 0 HG BLEU A 7 71.320 14.371 19.971 0.40 22.42 H new ATOM 0 HD11BLEU A 7 70.947 12.062 19.844 0.40 21.24 H new ATOM 0 HD12BLEU A 7 72.341 12.423 19.186 0.40 21.24 H new ATOM 0 HD13BLEU A 7 72.290 11.799 20.640 0.40 21.24 H new ATOM 0 HD21BLEU A 7 70.073 13.417 21.743 0.40 23.62 H new ATOM 0 HD22BLEU A 7 71.412 13.201 22.562 0.40 23.62 H new ATOM 0 HD23BLEU A 7 70.889 14.667 22.273 0.40 23.62 H new ATOM 35 N BPHE A 8 75.544 16.451 21.188 0.40 17.07 N ATOM 36 CA BPHE A 8 76.847 16.798 21.766 0.40 15.98 C ATOM 37 C BPHE A 8 76.735 18.104 22.568 0.40 17.50 C ATOM 38 O BPHE A 8 77.320 18.229 23.644 0.40 17.04 O ATOM 39 CB BPHE A 8 77.921 16.911 20.671 0.40 14.94 C ATOM 40 CG BPHE A 8 78.353 15.586 20.095 0.40 14.62 C ATOM 41 CD1BPHE A 8 78.522 14.473 20.915 0.40 13.82 C ATOM 42 CD2BPHE A 8 78.632 15.464 18.735 0.40 14.52 C ATOM 43 CE1BPHE A 8 78.966 13.257 20.391 0.40 14.72 C ATOM 44 CE2BPHE A 8 79.074 14.261 18.195 0.40 14.98 C ATOM 45 CZ BPHE A 8 79.244 13.149 19.023 0.40 15.56 C ATOM 0 H BPHE A 8 75.510 16.445 20.329 0.40 17.07 H new ATOM 0 HA BPHE A 8 77.118 16.089 22.369 0.40 15.98 H new ATOM 0 HB2BPHE A 8 77.581 17.469 19.954 0.40 14.94 H new ATOM 0 HB3BPHE A 8 78.697 17.362 21.038 0.40 14.94 H new ATOM 0 HD1BPHE A 8 78.337 14.540 21.824 0.40 13.82 H new ATOM 0 HD2BPHE A 8 78.521 16.201 18.178 0.40 14.52 H new ATOM 0 HE1BPHE A 8 79.077 12.521 20.949 0.40 14.72 H new ATOM 0 HE2BPHE A 8 79.256 14.197 17.285 0.40 14.98 H new ATOM 0 HZ BPHE A 8 79.540 12.342 18.668 0.40 15.56 H new ATOM 46 N BTRP A 9 75.973 19.070 22.049 0.40 18.26 N ATOM 47 CA BTRP A 9 75.767 20.334 22.759 0.40 19.34 C ATOM 48 C BTRP A 9 75.039 20.082 24.084 0.40 19.18 C ATOM 49 O BTRP A 9 75.327 20.718 25.096 0.40 18.03 O ATOM 50 CB BTRP A 9 74.952 21.310 21.893 0.40 21.58 C ATOM 51 CG BTRP A 9 75.801 22.059 20.912 0.40 22.89 C ATOM 52 CD1BTRP A 9 75.678 22.062 19.553 0.40 23.48 C ATOM 53 CD2BTRP A 9 76.911 22.917 21.216 0.40 23.73 C ATOM 54 NE1BTRP A 9 76.638 22.864 18.993 0.40 23.14 N ATOM 55 CE2BTRP A 9 77.410 23.401 19.989 0.40 25.15 C ATOM 56 CE3BTRP A 9 77.532 23.320 22.406 0.40 24.98 C ATOM 57 CZ2BTRP A 9 78.507 24.271 19.912 0.40 24.79 C ATOM 58 CZ3BTRP A 9 78.624 24.185 22.332 0.40 25.47 C ATOM 59 CH2BTRP A 9 79.100 24.649 21.091 0.40 26.76 C ATOM 0 H BTRP A 9 75.569 19.013 21.292 0.40 18.26 H new ATOM 0 HA BTRP A 9 76.634 20.728 22.943 0.40 19.34 H new ATOM 0 HB2BTRP A 9 74.268 20.817 21.413 0.40 21.58 H new ATOM 0 HB3BTRP A 9 74.495 21.943 22.469 0.40 21.58 H new ATOM 0 HD1BTRP A 9 75.036 21.588 19.076 0.40 23.48 H new ATOM 0 HE1BTRP A 9 76.739 23.007 18.151 0.40 23.14 H new ATOM 0 HE3BTRP A 9 77.222 23.017 23.229 0.40 24.98 H new ATOM 0 HZ2BTRP A 9 78.821 24.580 19.093 0.40 24.79 H new ATOM 0 HZ3BTRP A 9 79.044 24.459 23.115 0.40 25.47 H new ATOM 0 HH2BTRP A 9 79.831 25.223 21.069 0.40 26.76 H new ATOM 60 N BLEU A 10 74.087 19.153 24.067 0.40 20.73 N ATOM 61 CA BLEU A 10 73.332 18.809 25.271 0.40 21.40 C ATOM 62 C BLEU A 10 74.259 18.190 26.309 0.40 20.52 C ATOM 63 O BLEU A 10 74.166 18.494 27.501 0.40 19.51 O ATOM 64 CB BLEU A 10 72.205 17.829 24.934 0.40 23.80 C ATOM 65 CG BLEU A 10 71.024 18.466 24.194 0.40 26.02 C ATOM 66 CD1BLEU A 10 70.052 17.382 23.736 0.40 27.14 C ATOM 67 CD2BLEU A 10 70.327 19.472 25.123 0.40 26.24 C ATOM 0 H BLEU A 10 73.862 18.708 23.366 0.40 20.73 H new ATOM 0 HA BLEU A 10 72.943 19.620 25.633 0.40 21.40 H new ATOM 0 HB2BLEU A 10 72.565 17.111 24.391 0.40 23.80 H new ATOM 0 HB3BLEU A 10 71.881 17.428 25.756 0.40 23.80 H new ATOM 0 HG BLEU A 10 71.343 18.936 23.408 0.40 26.02 H new ATOM 0 HD11BLEU A 10 69.307 17.791 23.269 0.40 27.14 H new ATOM 0 HD12BLEU A 10 70.509 16.768 23.140 0.40 27.14 H new ATOM 0 HD13BLEU A 10 69.721 16.897 24.508 0.40 27.14 H new ATOM 0 HD21BLEU A 10 69.579 19.877 24.658 0.40 26.24 H new ATOM 0 HD22BLEU A 10 70.005 19.013 25.914 0.40 26.24 H new ATOM 0 HD23BLEU A 10 70.957 20.162 25.384 0.40 26.24 H new ATOM 68 N BGLY A 11 75.139 17.303 25.854 0.40 19.72 N ATOM 69 CA BGLY A 11 76.088 16.691 26.768 0.40 20.10 C ATOM 70 C BGLY A 11 76.996 17.761 27.355 0.40 19.34 C ATOM 71 O BGLY A 11 77.314 17.737 28.543 0.40 19.69 O ATOM 0 H BGLY A 11 75.201 17.047 25.035 0.40 19.72 H new ATOM 0 HA2BGLY A 11 75.615 16.230 27.479 0.40 20.10 H new ATOM 0 HA3BGLY A 11 76.617 16.026 26.301 0.40 20.10 H new ATOM 72 N BALA A 12 77.400 18.713 26.519 0.40 18.34 N ATOM 73 CA BALA A 12 78.270 19.798 26.949 0.40 19.82 C ATOM 74 C BALA A 12 77.606 20.654 28.026 0.40 20.20 C ATOM 75 O BALA A 12 78.218 20.958 29.049 0.40 19.76 O ATOM 76 CB BALA A 12 78.652 20.672 25.742 0.40 18.98 C ATOM 0 H BALA A 12 77.177 18.747 25.689 0.40 18.34 H new ATOM 0 HA BALA A 12 79.071 19.407 27.332 0.40 19.82 H new ATOM 0 HB1BALA A 12 79.231 21.393 26.035 0.40 18.98 H new ATOM 0 HB2BALA A 12 79.117 20.131 25.085 0.40 18.98 H new ATOM 0 HB3BALA A 12 77.849 21.044 25.345 0.40 18.98 H new ATOM 77 N BILE A 13 76.356 21.045 27.782 0.40 22.00 N ATOM 78 CA BILE A 13 75.606 21.863 28.734 0.40 23.54 C ATOM 79 C BILE A 13 75.490 21.173 30.093 0.40 21.08 C ATOM 80 O BILE A 13 75.719 21.798 31.133 0.40 22.47 O ATOM 81 CB BILE A 13 74.191 22.182 28.190 0.40 25.27 C ATOM 82 CG1BILE A 13 74.316 23.039 26.929 0.40 27.44 C ATOM 83 CG2BILE A 13 73.364 22.933 29.246 0.40 26.88 C ATOM 84 CD1BILE A 13 73.001 23.227 26.192 0.40 29.94 C ATOM 0 H BILE A 13 75.922 20.846 27.067 0.40 22.00 H new ATOM 0 HA BILE A 13 76.096 22.692 28.851 0.40 23.54 H new ATOM 0 HB BILE A 13 73.740 21.350 27.979 0.40 25.27 H new ATOM 0 HG12BILE A 13 74.670 23.909 27.171 0.40 27.44 H new ATOM 0 HG13BILE A 13 74.959 22.628 26.330 0.40 27.44 H new ATOM 0 HG21BILE A 13 72.482 23.125 28.890 0.40 26.88 H new ATOM 0 HG22BILE A 13 73.279 22.384 30.041 0.40 26.88 H new ATOM 0 HG23BILE A 13 73.808 23.765 29.474 0.40 26.88 H new ATOM 0 HD11BILE A 13 73.146 23.776 25.406 0.40 29.94 H new ATOM 0 HD12BILE A 13 72.655 22.362 25.922 0.40 29.94 H new ATOM 0 HD13BILE A 13 72.361 23.663 26.777 0.40 29.94 H new ATOM 85 N BGLY A 14 75.144 19.887 30.083 0.40 20.86 N ATOM 86 CA BGLY A 14 75.036 19.132 31.323 0.40 19.41 C ATOM 87 C BGLY A 14 76.359 19.086 32.074 0.40 18.58 C ATOM 88 O BGLY A 14 76.407 19.299 33.291 0.40 20.40 O ATOM 0 H BGLY A 14 74.969 19.437 29.371 0.40 20.86 H new ATOM 0 HA2BGLY A 14 74.357 19.533 31.888 0.40 19.41 H new ATOM 0 HA3BGLY A 14 74.744 18.228 31.127 0.40 19.41 H new ATOM 89 N BMET A 15 77.443 18.802 31.359 0.40 18.95 N ATOM 90 CA BMET A 15 78.767 18.771 31.991 0.40 18.67 C ATOM 91 C BMET A 15 79.133 20.164 32.539 0.40 19.13 C ATOM 92 O BMET A 15 79.623 20.287 33.663 0.40 18.07 O ATOM 93 CB BMET A 15 79.835 18.314 30.989 0.40 16.45 C ATOM 94 CG BMET A 15 79.674 16.868 30.514 0.40 15.99 C ATOM 95 SD BMET A 15 79.774 15.676 31.879 0.40 20.90 S ATOM 96 CE BMET A 15 79.147 14.211 31.020 0.40 17.17 C ATOM 0 H BMET A 15 77.439 18.626 30.517 0.40 18.95 H new ATOM 0 HA BMET A 15 78.735 18.138 32.726 0.40 18.67 H new ATOM 0 HB2BMET A 15 79.812 18.901 30.217 0.40 16.45 H new ATOM 0 HB3BMET A 15 80.710 18.414 31.396 0.40 16.45 H new ATOM 0 HG2BMET A 15 78.820 16.771 30.065 0.40 15.99 H new ATOM 0 HG3BMET A 15 80.362 16.666 29.861 0.40 15.99 H new ATOM 0 HE1BMET A 15 78.780 13.588 31.667 0.40 17.17 H new ATOM 0 HE2BMET A 15 78.453 14.474 30.396 0.40 17.17 H new ATOM 0 HE3BMET A 15 79.871 13.785 30.536 0.40 17.17 H new ATOM 97 N BLEU A 16 78.903 21.217 31.767 0.40 20.72 N ATOM 98 CA BLEU A 16 79.242 22.553 32.288 0.40 24.32 C ATOM 99 C BLEU A 16 78.372 22.915 33.491 0.40 24.23 C ATOM 100 O BLEU A 16 78.850 23.478 34.487 0.40 26.20 O ATOM 101 CB BLEU A 16 79.105 23.638 31.203 0.40 25.73 C ATOM 102 CG BLEU A 16 79.514 25.034 31.720 0.40 28.86 C ATOM 103 CD1BLEU A 16 80.988 25.016 32.132 0.40 29.41 C ATOM 104 CD2BLEU A 16 79.289 26.100 30.644 0.40 31.57 C ATOM 0 H BLEU A 16 78.568 21.195 30.975 0.40 20.72 H new ATOM 0 HA BLEU A 16 80.169 22.517 32.571 0.40 24.32 H new ATOM 0 HB2BLEU A 16 79.657 23.403 30.441 0.40 25.73 H new ATOM 0 HB3BLEU A 16 78.187 23.667 30.890 0.40 25.73 H new ATOM 0 HG BLEU A 16 78.963 25.254 32.488 0.40 28.86 H new ATOM 0 HD11BLEU A 16 81.244 25.893 32.457 0.40 29.41 H new ATOM 0 HD12BLEU A 16 81.120 24.360 32.835 0.40 29.41 H new ATOM 0 HD13BLEU A 16 81.535 24.783 31.366 0.40 29.41 H new ATOM 0 HD21BLEU A 16 79.552 26.968 30.988 0.40 31.57 H new ATOM 0 HD22BLEU A 16 79.822 25.888 29.862 0.40 31.57 H new ATOM 0 HD23BLEU A 16 78.351 26.120 30.399 0.40 31.57 H new ATOM 105 N BVAL A 17 77.086 22.606 33.398 0.40 25.93 N ATOM 106 CA BVAL A 17 76.186 22.887 34.497 0.40 26.58 C ATOM 107 C BVAL A 17 76.729 22.155 35.712 0.40 25.63 C ATOM 108 O BVAL A 17 76.790 22.710 36.817 0.40 25.67 O ATOM 109 CB BVAL A 17 74.739 22.413 34.176 0.40 27.42 C ATOM 110 CG1BVAL A 17 73.991 22.107 35.452 0.40 27.56 C ATOM 111 CG2BVAL A 17 74.003 23.506 33.418 0.40 29.23 C ATOM 0 H BVAL A 17 76.720 22.237 32.713 0.40 25.93 H new ATOM 0 HA BVAL A 17 76.138 23.842 34.658 0.40 26.58 H new ATOM 0 HB BVAL A 17 74.787 21.609 33.635 0.40 27.42 H new ATOM 0 HG11BVAL A 17 73.092 21.813 35.238 0.40 27.56 H new ATOM 0 HG12BVAL A 17 74.453 21.406 35.938 0.40 27.56 H new ATOM 0 HG13BVAL A 17 73.947 22.905 36.001 0.40 27.56 H new ATOM 0 HG21BVAL A 17 73.101 23.210 33.218 0.40 29.23 H new ATOM 0 HG22BVAL A 17 73.967 24.309 33.961 0.40 29.23 H new ATOM 0 HG23BVAL A 17 74.471 23.697 32.590 0.40 29.23 H new ATOM 112 N BGLY A 18 77.142 20.907 35.505 0.40 24.87 N ATOM 113 CA BGLY A 18 77.690 20.138 36.612 0.40 24.11 C ATOM 114 C BGLY A 18 78.975 20.757 37.141 0.40 22.98 C ATOM 115 O BGLY A 18 79.164 20.920 38.348 0.40 21.79 O ATOM 0 H BGLY A 18 77.114 20.497 34.749 0.40 24.87 H new ATOM 0 HA2BGLY A 18 77.036 20.087 37.327 0.40 24.11 H new ATOM 0 HA3BGLY A 18 77.864 19.229 36.321 0.40 24.11 H new ATOM 116 N BTHR A 19 79.872 21.118 36.236 0.40 22.91 N ATOM 117 CA BTHR A 19 81.134 21.712 36.654 0.40 23.87 C ATOM 118 C BTHR A 19 80.879 22.934 37.559 0.40 25.02 C ATOM 119 O BTHR A 19 81.411 23.036 38.671 0.40 26.08 O ATOM 120 CB BTHR A 19 81.956 22.164 35.434 0.40 24.78 C ATOM 121 OG1BTHR A 19 82.128 21.062 34.532 0.40 26.16 O ATOM 122 CG2BTHR A 19 83.321 22.687 35.877 0.40 25.28 C ATOM 0 H BTHR A 19 79.773 21.030 35.386 0.40 22.91 H new ATOM 0 HA BTHR A 19 81.629 21.037 37.144 0.40 23.87 H new ATOM 0 HB BTHR A 19 81.480 22.879 34.983 0.40 24.78 H new ATOM 0 HG1BTHR A 19 81.392 20.878 34.171 0.40 26.16 H new ATOM 0 HG21BTHR A 19 83.828 22.968 35.099 0.40 25.28 H new ATOM 0 HG22BTHR A 19 83.200 23.442 36.474 0.40 25.28 H new ATOM 0 HG23BTHR A 19 83.803 21.984 36.339 0.40 25.28 H new ATOM 123 N BLEU A 20 80.067 23.862 37.081 0.40 25.02 N ATOM 124 CA BLEU A 20 79.775 25.055 37.860 0.40 26.58 C ATOM 125 C BLEU A 20 79.141 24.751 39.225 0.40 26.29 C ATOM 126 O BLEU A 20 79.463 25.402 40.217 0.40 26.65 O ATOM 127 CB BLEU A 20 78.890 26.001 37.043 0.40 27.79 C ATOM 128 CG BLEU A 20 79.506 26.481 35.724 0.40 28.76 C ATOM 129 CD1BLEU A 20 78.657 27.601 35.150 0.40 31.87 C ATOM 130 CD2BLEU A 20 80.936 26.981 35.948 0.40 30.71 C ATOM 0 H BLEU A 20 79.677 23.823 36.315 0.40 25.02 H new ATOM 0 HA BLEU A 20 80.623 25.485 38.053 0.40 26.58 H new ATOM 0 HB2BLEU A 20 78.052 25.553 36.849 0.40 27.79 H new ATOM 0 HB3BLEU A 20 78.678 26.776 37.587 0.40 27.79 H new ATOM 0 HG BLEU A 20 79.533 25.737 35.102 0.40 28.76 H new ATOM 0 HD11BLEU A 20 79.045 27.906 34.315 0.40 31.87 H new ATOM 0 HD12BLEU A 20 77.758 27.275 34.988 0.40 31.87 H new ATOM 0 HD13BLEU A 20 78.625 28.338 35.780 0.40 31.87 H new ATOM 0 HD21BLEU A 20 81.310 27.280 35.105 0.40 30.71 H new ATOM 0 HD22BLEU A 20 80.926 27.719 36.577 0.40 30.71 H new ATOM 0 HD23BLEU A 20 81.479 26.260 36.304 0.40 30.71 H new ATOM 131 N BALA A 21 78.250 23.765 39.285 0.40 25.06 N ATOM 132 CA BALA A 21 77.622 23.414 40.559 0.40 25.31 C ATOM 133 C BALA A 21 78.656 22.883 41.548 0.40 25.79 C ATOM 134 O BALA A 21 78.636 23.239 42.731 0.40 25.56 O ATOM 135 CB BALA A 21 76.524 22.375 40.350 0.40 24.84 C ATOM 0 H BALA A 21 77.997 23.293 38.612 0.40 25.06 H new ATOM 0 HA BALA A 21 77.226 24.220 40.926 0.40 25.31 H new ATOM 0 HB1BALA A 21 76.120 22.155 41.204 0.40 24.84 H new ATOM 0 HB2BALA A 21 75.847 22.734 39.755 0.40 24.84 H new ATOM 0 HB3BALA A 21 76.906 21.574 39.958 0.40 24.84 H new ATOM 136 N BPHE A 22 79.558 22.027 41.073 0.40 24.71 N ATOM 137 CA BPHE A 22 80.581 21.480 41.950 0.40 24.42 C ATOM 138 C BPHE A 22 81.548 22.580 42.399 0.40 24.80 C ATOM 139 O BPHE A 22 81.949 22.620 43.562 0.40 24.58 O ATOM 140 CB BPHE A 22 81.342 20.339 41.251 0.40 24.49 C ATOM 141 CG BPHE A 22 80.439 19.252 40.710 0.40 23.12 C ATOM 142 CD1BPHE A 22 79.284 18.880 41.402 0.40 24.48 C ATOM 143 CD2BPHE A 22 80.725 18.628 39.500 0.40 22.31 C ATOM 144 CE1BPHE A 22 78.422 17.907 40.893 0.40 25.22 C ATOM 145 CE2BPHE A 22 79.871 17.647 38.976 0.40 23.04 C ATOM 146 CZ BPHE A 22 78.715 17.285 39.672 0.40 24.22 C ATOM 0 H BPHE A 22 79.593 21.755 40.258 0.40 24.71 H new ATOM 0 HA BPHE A 22 80.146 21.116 42.737 0.40 24.42 H new ATOM 0 HB2BPHE A 22 81.865 20.708 40.522 0.40 24.49 H new ATOM 0 HB3BPHE A 22 81.969 19.946 41.879 0.40 24.49 H new ATOM 0 HD1BPHE A 22 79.086 19.287 42.215 0.40 24.48 H new ATOM 0 HD2BPHE A 22 81.493 18.865 39.032 0.40 22.31 H new ATOM 0 HE1BPHE A 22 77.655 17.672 41.363 0.40 25.22 H new ATOM 0 HE2BPHE A 22 80.074 17.238 38.166 0.40 23.04 H new ATOM 0 HZ BPHE A 22 78.144 16.636 39.328 0.40 24.22 H new ATOM 147 N BALA A 23 81.924 23.472 41.485 0.40 25.67 N ATOM 148 CA BALA A 23 82.837 24.568 41.833 0.40 28.07 C ATOM 149 C BALA A 23 82.206 25.443 42.925 0.40 28.89 C ATOM 150 O BALA A 23 82.873 25.856 43.874 0.40 29.14 O ATOM 151 CB BALA A 23 83.147 25.426 40.593 0.40 26.66 C ATOM 0 H BALA A 23 81.667 23.464 40.664 0.40 25.67 H new ATOM 0 HA BALA A 23 83.666 24.188 42.163 0.40 28.07 H new ATOM 0 HB1BALA A 23 83.750 26.145 40.839 0.40 26.66 H new ATOM 0 HB2BALA A 23 83.563 24.874 39.913 0.40 26.66 H new ATOM 0 HB3BALA A 23 82.323 25.801 40.245 0.40 26.66 H new ATOM 152 N BTRP A 24 80.914 25.717 42.782 0.40 31.17 N ATOM 153 CA BTRP A 24 80.199 26.535 43.753 0.40 33.66 C ATOM 154 C BTRP A 24 80.114 25.811 45.098 0.40 33.65 C ATOM 155 O BTRP A 24 80.458 26.372 46.143 0.40 32.62 O ATOM 156 CB BTRP A 24 79.055 27.006 43.028 0.40 35.96 C ATOM 157 CG BTRP A 24 78.195 27.766 43.994 0.40 39.94 C ATOM 158 CD1BTRP A 24 77.184 27.263 44.764 0.40 41.24 C ATOM 159 CD2BTRP A 24 78.272 29.163 44.298 0.40 42.11 C ATOM 160 NE1BTRP A 24 76.627 28.261 45.527 0.40 42.90 N ATOM 161 CE2BTRP A 24 77.276 29.438 45.261 0.40 42.54 C ATOM 162 CE3BTRP A 24 79.087 30.211 43.850 0.40 43.63 C ATOM 163 CZ2BTRP A 24 77.072 30.719 45.785 0.40 44.15 C ATOM 164 CZ3BTRP A 24 78.883 31.487 44.372 0.40 45.11 C ATOM 165 CH2BTRP A 24 77.883 31.727 45.330 0.40 44.14 C ATOM 0 H BTRP A 24 80.432 25.437 42.127 0.40 31.17 H new ATOM 0 HA BTRP A 24 80.615 27.345 44.089 0.40 33.66 H new ATOM 0 HB2BTRP A 24 79.328 27.576 42.292 0.40 35.96 H new ATOM 0 HB3BTRP A 24 78.564 26.263 42.645 0.40 35.96 H new ATOM 0 HD1BTRP A 24 76.912 26.374 44.771 0.40 41.24 H new ATOM 0 HE1BTRP A 24 75.977 28.163 46.081 0.40 42.90 H new ATOM 0 HE3BTRP A 24 79.751 30.058 43.217 0.40 43.63 H new ATOM 0 HZ2BTRP A 24 76.411 30.881 46.419 0.40 44.15 H new ATOM 0 HZ3BTRP A 24 79.417 32.191 44.082 0.40 45.11 H new ATOM 0 HH2BTRP A 24 77.769 32.588 45.663 0.40 44.14 H new ATOM 166 N BALA A 25 79.676 24.556 45.058 0.40 33.86 N ATOM 167 CA BALA A 25 79.524 23.746 46.265 0.40 34.21 C ATOM 168 C BALA A 25 80.786 23.691 47.111 0.40 34.81 C ATOM 169 O BALA A 25 80.709 23.557 48.331 0.40 35.43 O ATOM 170 CB BALA A 25 79.085 22.329 45.900 0.40 34.45 C ATOM 0 H BALA A 25 79.459 24.150 44.332 0.40 33.86 H new ATOM 0 HA BALA A 25 78.841 24.178 46.802 0.40 34.21 H new ATOM 0 HB1BALA A 25 78.988 21.802 46.708 0.40 34.45 H new ATOM 0 HB2BALA A 25 78.236 22.363 45.433 0.40 34.45 H new ATOM 0 HB3BALA A 25 79.753 21.921 45.327 0.40 34.45 H new ATOM 171 N BGLY A 26 81.946 23.784 46.473 0.40 35.25 N ATOM 172 CA BGLY A 26 83.183 23.745 47.226 0.40 37.79 C ATOM 173 C BGLY A 26 83.910 25.080 47.307 0.40 40.22 C ATOM 174 O BGLY A 26 85.124 25.097 47.510 0.40 40.00 O ATOM 0 H BGLY A 26 82.035 23.868 45.622 0.40 35.25 H new ATOM 0 HA2BGLY A 26 82.992 23.438 48.126 0.40 37.79 H new ATOM 0 HA3BGLY A 26 83.774 23.091 46.822 0.40 37.79 H new ATOM 175 N BARG A 27 83.185 26.190 47.165 0.40 42.53 N ATOM 176 CA BARG A 27 83.801 27.524 47.200 0.40 45.76 C ATOM 177 C BARG A 27 84.683 27.786 48.417 0.40 47.76 C ATOM 178 O BARG A 27 85.812 28.264 48.279 0.40 49.07 O ATOM 179 CB BARG A 27 82.733 28.621 47.087 0.40 45.47 C ATOM 180 CG BARG A 27 81.609 28.563 48.115 0.40 46.74 C ATOM 181 CD BARG A 27 80.600 29.673 47.839 0.40 47.61 C ATOM 182 NE BARG A 27 79.395 29.593 48.664 0.40 48.57 N ATOM 183 CZ BARG A 27 78.497 28.614 48.600 0.40 49.66 C ATOM 184 NH1BARG A 27 78.654 27.612 47.745 0.40 48.91 N ATOM 185 NH2BARG A 27 77.433 28.641 49.390 0.40 50.49 N ATOM 0 H BARG A 27 82.333 26.195 47.047 0.40 42.53 H new ATOM 0 HA BARG A 27 84.391 27.547 46.430 0.40 45.76 H new ATOM 0 HB2BARG A 27 83.171 29.483 47.160 0.40 45.47 H new ATOM 0 HB3BARG A 27 82.341 28.576 46.201 0.40 45.47 H new ATOM 0 HG2BARG A 27 81.170 27.699 48.078 0.40 46.74 H new ATOM 0 HG3BARG A 27 81.972 28.659 49.009 0.40 46.74 H new ATOM 0 HD2BARG A 27 81.027 30.531 47.987 0.40 47.61 H new ATOM 0 HD3BARG A 27 80.344 29.641 46.904 0.40 47.61 H new ATOM 0 HE BARG A 27 79.257 30.224 49.231 0.40 48.57 H new ATOM 0 HH11BARG A 27 79.340 27.592 47.227 0.40 48.91 H new ATOM 0 HH12BARG A 27 78.070 26.982 47.709 0.40 48.91 H new ATOM 0 HH21BARG A 27 77.324 29.291 49.943 0.40 50.49 H new ATOM 0 HH22BARG A 27 76.851 28.009 49.350 0.40 50.49 H new ATOM 186 N BASP A 28 84.171 27.489 49.606 0.40 50.00 N ATOM 187 CA BASP A 28 84.944 27.673 50.829 0.40 52.88 C ATOM 188 C BASP A 28 84.950 26.383 51.641 0.40 53.58 C ATOM 189 O BASP A 28 83.981 26.067 52.333 0.40 54.00 O ATOM 190 CB BASP A 28 84.377 28.835 51.652 0.40 54.72 C ATOM 191 CG BASP A 28 84.830 30.195 51.128 0.40 56.37 C ATOM 192 OD1BASP A 28 86.054 30.450 51.137 0.40 56.93 O ATOM 193 OD2BASP A 28 83.971 31.003 50.707 0.40 56.73 O ATOM 0 H BASP A 28 83.378 27.180 49.727 0.40 50.00 H new ATOM 0 HA BASP A 28 85.859 27.892 50.593 0.40 52.88 H new ATOM 0 HB2BASP A 28 83.408 28.793 51.641 0.40 54.72 H new ATOM 0 HB3BASP A 28 84.654 28.739 52.577 0.40 54.72 H new ATOM 194 N BALA A 29 86.051 25.640 51.548 0.40 54.12 N ATOM 195 CA BALA A 29 86.179 24.364 52.248 0.40 53.69 C ATOM 196 C BALA A 29 87.625 24.046 52.618 0.40 53.23 C ATOM 197 O BALA A 29 88.555 24.484 51.943 0.40 53.79 O ATOM 198 CB BALA A 29 85.607 23.245 51.375 0.40 53.06 C ATOM 0 H BALA A 29 86.739 25.859 51.081 0.40 54.12 H new ATOM 0 HA BALA A 29 85.680 24.432 53.077 0.40 53.69 H new ATOM 0 HB1BALA A 29 85.691 22.397 51.839 0.40 53.06 H new ATOM 0 HB2BALA A 29 84.671 23.422 51.194 0.40 53.06 H new ATOM 0 HB3BALA A 29 86.096 23.205 50.538 0.40 53.06 H new ATOM 199 N BGLY A 30 87.799 23.276 53.691 0.40 53.58 N ATOM 200 CA BGLY A 30 89.127 22.899 54.147 0.40 53.03 C ATOM 201 C BGLY A 30 89.860 22.048 53.127 0.40 53.23 C ATOM 202 O BGLY A 30 89.228 21.292 52.389 0.40 52.86 O ATOM 0 H BGLY A 30 87.156 22.962 54.168 0.40 53.58 H new ATOM 0 HA2BGLY A 30 89.644 23.699 54.330 0.40 53.03 H new ATOM 0 HA3BGLY A 30 89.054 22.410 54.982 0.40 53.03 H new ATOM 203 N BSER A 31 91.187 22.172 53.083 0.40 52.70 N ATOM 204 CA BSER A 31 92.011 21.417 52.139 0.40 52.80 C ATOM 205 C BSER A 31 91.626 19.946 52.115 0.40 51.98 C ATOM 206 O BSER A 31 91.625 19.306 51.056 0.40 53.08 O ATOM 207 CB BSER A 31 93.496 21.553 52.501 0.40 53.53 C ATOM 208 OG BSER A 31 94.318 20.784 51.635 0.40 55.09 O ATOM 0 H BSER A 31 91.634 22.695 53.599 0.40 52.70 H new ATOM 0 HA BSER A 31 91.857 21.787 51.256 0.40 52.80 H new ATOM 0 HB2BSER A 31 93.757 22.486 52.453 0.40 53.53 H new ATOM 0 HB3BSER A 31 93.634 21.267 53.418 0.40 53.53 H new ATOM 0 HG BSER A 31 95.123 20.879 51.855 0.40 55.09 H new ATOM 209 N BGLY A 32 91.301 19.414 53.289 0.40 50.82 N ATOM 210 CA BGLY A 32 90.913 18.021 53.388 0.40 49.40 C ATOM 211 C BGLY A 32 89.803 17.682 52.415 0.40 47.89 C ATOM 212 O BGLY A 32 89.996 16.877 51.501 0.40 48.84 O ATOM 0 H BGLY A 32 91.300 19.844 54.034 0.40 50.82 H new ATOM 0 HA2BGLY A 32 91.682 17.457 53.212 0.40 49.40 H new ATOM 0 HA3BGLY A 32 90.621 17.829 54.293 0.40 49.40 H new ATOM 213 N BGLU A 33 88.641 18.302 52.609 0.40 45.04 N ATOM 214 CA BGLU A 33 87.487 18.068 51.749 0.40 42.45 C ATOM 215 C BGLU A 33 87.657 18.663 50.349 0.40 39.51 C ATOM 216 O BGLU A 33 87.128 18.128 49.372 0.40 37.01 O ATOM 217 CB BGLU A 33 86.223 18.681 52.362 0.40 44.29 C ATOM 218 CG BGLU A 33 85.980 18.390 53.833 0.40 48.91 C ATOM 219 CD BGLU A 33 86.203 19.607 54.721 0.40 50.51 C ATOM 220 OE1BGLU A 33 85.760 20.716 54.348 0.40 51.75 O ATOM 221 OE2BGLU A 33 86.811 19.452 55.799 0.40 51.92 O ATOM 0 H BGLU A 33 88.501 18.868 53.241 0.40 45.04 H new ATOM 0 HA BGLU A 33 87.408 17.104 51.673 0.40 42.45 H new ATOM 0 HB2BGLU A 33 86.263 19.643 52.244 0.40 44.29 H new ATOM 0 HB3BGLU A 33 85.456 18.365 51.858 0.40 44.29 H new ATOM 0 HG2BGLU A 33 85.071 18.072 53.950 0.40 48.91 H new ATOM 0 HG3BGLU A 33 86.569 17.674 54.118 0.40 48.91 H new ATOM 222 N BARG A 34 88.391 19.770 50.256 0.40 36.80 N ATOM 223 CA BARG A 34 88.569 20.464 48.984 0.40 35.58 C ATOM 224 C BARG A 34 89.079 19.619 47.810 0.40 32.65 C ATOM 225 O BARG A 34 88.663 19.836 46.676 0.40 30.31 O ATOM 226 CB BARG A 34 89.462 21.696 49.191 0.40 38.95 C ATOM 227 CG BARG A 34 89.157 22.837 48.231 0.40 42.76 C ATOM 228 CD BARG A 34 89.271 24.197 48.933 0.40 46.60 C ATOM 229 NE BARG A 34 88.765 25.294 48.107 0.40 48.66 N ATOM 230 CZ BARG A 34 88.614 26.547 48.531 0.40 50.75 C ATOM 231 NH1BARG A 34 88.927 26.876 49.779 0.40 51.07 N ATOM 232 NH2BARG A 34 88.149 27.476 47.705 0.40 50.81 N ATOM 0 H BARG A 34 88.795 20.136 50.921 0.40 36.80 H new ATOM 0 HA BARG A 34 87.673 20.717 48.712 0.40 35.58 H new ATOM 0 HB2BARG A 34 89.357 22.013 50.102 0.40 38.95 H new ATOM 0 HB3BARG A 34 90.390 21.435 49.087 0.40 38.95 H new ATOM 0 HG2BARG A 34 89.771 22.805 47.481 0.40 42.76 H new ATOM 0 HG3BARG A 34 88.263 22.730 47.871 0.40 42.76 H new ATOM 0 HD2BARG A 34 88.778 24.170 49.768 0.40 46.60 H new ATOM 0 HD3BARG A 34 90.199 24.366 49.157 0.40 46.60 H new ATOM 0 HE BARG A 34 88.551 25.117 47.293 0.40 48.66 H new ATOM 0 HH11BARG A 34 89.229 26.278 50.318 0.40 51.07 H new ATOM 0 HH12BARG A 34 88.828 27.687 50.048 0.40 51.07 H new ATOM 0 HH21BARG A 34 87.945 27.269 46.896 0.40 50.81 H new ATOM 0 HH22BARG A 34 88.052 28.285 47.979 0.40 50.81 H new ATOM 233 N BARG A 35 89.970 18.667 48.074 0.40 30.63 N ATOM 234 CA BARG A 35 90.501 17.801 47.017 0.40 29.99 C ATOM 235 C BARG A 35 89.373 17.042 46.301 0.40 27.66 C ATOM 236 O BARG A 35 89.476 16.708 45.115 0.40 25.41 O ATOM 237 CB BARG A 35 91.501 16.794 47.595 0.40 33.46 C ATOM 238 CG BARG A 35 92.832 17.401 48.048 0.40 39.28 C ATOM 239 CD BARG A 35 93.854 16.315 48.403 0.40 43.38 C ATOM 240 NE BARG A 35 95.156 16.863 48.795 0.40 48.13 N ATOM 241 CZ BARG A 35 95.946 17.592 48.008 0.40 49.96 C ATOM 242 NH1BARG A 35 95.583 17.879 46.763 0.40 50.30 N ATOM 243 NH2BARG A 35 97.107 18.036 48.467 0.40 50.24 N ATOM 0 H BARG A 35 90.282 18.504 48.859 0.40 30.63 H new ATOM 0 HA BARG A 35 90.952 18.371 46.374 0.40 29.99 H new ATOM 0 HB2BARG A 35 91.090 16.346 48.351 0.40 33.46 H new ATOM 0 HB3BARG A 35 91.680 16.115 46.926 0.40 33.46 H new ATOM 0 HG2BARG A 35 93.188 17.964 47.343 0.40 39.28 H new ATOM 0 HG3BARG A 35 92.683 17.971 48.819 0.40 39.28 H new ATOM 0 HD2BARG A 35 93.505 15.773 49.128 0.40 43.38 H new ATOM 0 HD3BARG A 35 93.972 15.727 47.641 0.40 43.38 H new ATOM 0 HE BARG A 35 95.431 16.702 49.594 0.40 48.13 H new ATOM 0 HH11BARG A 35 94.831 17.594 46.458 0.40 50.30 H new ATOM 0 HH12BARG A 35 96.100 18.350 46.262 0.40 50.30 H new ATOM 0 HH21BARG A 35 97.349 17.853 49.272 0.40 50.24 H new ATOM 0 HH22BARG A 35 97.618 18.507 47.960 0.40 50.24 H new ATOM 244 N BTYR A 36 88.300 16.771 47.034 0.40 24.26 N ATOM 245 CA BTYR A 36 87.155 16.066 46.480 0.40 23.10 C ATOM 246 C BTYR A 36 86.384 16.941 45.488 0.40 21.98 C ATOM 247 O BTYR A 36 86.017 16.485 44.407 0.40 19.15 O ATOM 248 CB BTYR A 36 86.247 15.602 47.621 0.40 22.48 C ATOM 249 CG BTYR A 36 86.861 14.470 48.420 0.40 23.09 C ATOM 250 CD1BTYR A 36 86.721 13.140 48.004 0.40 23.64 C ATOM 251 CD2BTYR A 36 87.584 14.722 49.587 0.40 24.24 C ATOM 252 CE1BTYR A 36 87.279 12.090 48.735 0.40 23.27 C ATOM 253 CE2BTYR A 36 88.153 13.673 50.329 0.40 24.52 C ATOM 254 CZ BTYR A 36 87.989 12.359 49.894 0.40 24.40 C ATOM 255 OH BTYR A 36 88.513 11.315 50.624 0.40 24.95 O ATOM 0 H BTYR A 36 88.216 16.990 47.862 0.40 24.26 H new ATOM 0 HA BTYR A 36 87.473 15.293 45.988 0.40 23.10 H new ATOM 0 HB2BTYR A 36 86.065 16.350 48.211 0.40 22.48 H new ATOM 0 HB3BTYR A 36 85.395 15.314 47.257 0.40 22.48 H new ATOM 0 HD1BTYR A 36 86.247 12.953 47.226 0.40 23.64 H new ATOM 0 HD2BTYR A 36 87.691 15.599 49.878 0.40 24.24 H new ATOM 0 HE1BTYR A 36 87.175 11.213 48.445 0.40 23.27 H new ATOM 0 HE2BTYR A 36 88.635 13.854 51.104 0.40 24.52 H new ATOM 0 HH BTYR A 36 87.892 10.809 50.875 0.40 24.95 H new ATOM 256 N BTYR A 37 86.150 18.197 45.859 0.40 20.69 N ATOM 257 CA BTYR A 37 85.431 19.146 44.999 0.40 20.97 C ATOM 258 C BTYR A 37 86.230 19.445 43.740 0.40 20.09 C ATOM 259 O BTYR A 37 85.688 19.585 42.642 0.40 20.46 O ATOM 260 CB BTYR A 37 85.191 20.451 45.761 0.40 22.39 C ATOM 261 CG BTYR A 37 84.259 20.288 46.919 0.40 23.22 C ATOM 262 CD1BTYR A 37 82.876 20.333 46.734 0.40 25.36 C ATOM 263 CD2BTYR A 37 84.750 20.037 48.201 0.40 25.75 C ATOM 264 CE1BTYR A 37 82.010 20.134 47.789 0.40 27.08 C ATOM 265 CE2BTYR A 37 83.885 19.836 49.267 0.40 27.57 C ATOM 266 CZ BTYR A 37 82.518 19.888 49.051 0.40 28.30 C ATOM 267 OH BTYR A 37 81.660 19.716 50.104 0.40 31.80 O ATOM 0 H BTYR A 37 86.401 18.526 46.613 0.40 20.69 H new ATOM 0 HA BTYR A 37 84.583 18.748 44.746 0.40 20.97 H new ATOM 0 HB2BTYR A 37 86.040 20.794 46.081 0.40 22.39 H new ATOM 0 HB3BTYR A 37 84.829 21.114 45.152 0.40 22.39 H new ATOM 0 HD1BTYR A 37 82.533 20.500 45.886 0.40 25.36 H new ATOM 0 HD2BTYR A 37 85.669 20.004 48.343 0.40 25.75 H new ATOM 0 HE1BTYR A 37 81.091 20.165 47.652 0.40 27.08 H new ATOM 0 HE2BTYR A 37 84.220 19.668 50.118 0.40 27.57 H new ATOM 0 HH BTYR A 37 81.865 19.016 50.521 0.40 31.80 H new ATOM 268 N BVAL A 38 87.532 19.571 43.926 0.40 19.74 N ATOM 269 CA BVAL A 38 88.449 19.843 42.837 0.40 19.90 C ATOM 270 C BVAL A 38 88.383 18.734 41.789 0.40 18.17 C ATOM 271 O BVAL A 38 88.340 18.998 40.580 0.40 15.83 O ATOM 272 CB BVAL A 38 89.899 19.971 43.390 0.40 21.10 C ATOM 273 CG1BVAL A 38 90.921 19.841 42.264 0.40 23.08 C ATOM 274 CG2BVAL A 38 90.048 21.312 44.101 0.40 23.15 C ATOM 0 H BVAL A 38 87.912 19.500 44.694 0.40 19.74 H new ATOM 0 HA BVAL A 38 88.193 20.678 42.415 0.40 19.90 H new ATOM 0 HB BVAL A 38 90.064 19.254 44.022 0.40 21.10 H new ATOM 0 HG11BVAL A 38 91.816 19.923 42.628 0.40 23.08 H new ATOM 0 HG12BVAL A 38 90.824 18.975 41.837 0.40 23.08 H new ATOM 0 HG13BVAL A 38 90.773 20.542 41.610 0.40 23.08 H new ATOM 0 HG21BVAL A 38 90.950 21.396 44.447 0.40 23.15 H new ATOM 0 HG22BVAL A 38 89.874 22.032 43.474 0.40 23.15 H new ATOM 0 HG23BVAL A 38 89.415 21.362 44.834 0.40 23.15 H new ATOM 275 N BTHR A 39 88.368 17.491 42.259 0.40 16.76 N ATOM 276 CA BTHR A 39 88.318 16.338 41.367 0.40 17.08 C ATOM 277 C BTHR A 39 87.019 16.328 40.539 0.40 15.67 C ATOM 278 O BTHR A 39 87.041 16.100 39.328 0.40 16.76 O ATOM 279 CB BTHR A 39 88.465 15.029 42.201 0.40 17.83 C ATOM 280 OG1BTHR A 39 89.693 15.089 42.938 0.40 19.26 O ATOM 281 CG2BTHR A 39 88.498 13.776 41.284 0.40 17.00 C ATOM 0 H BTHR A 39 88.386 17.293 43.096 0.40 16.76 H new ATOM 0 HA BTHR A 39 89.055 16.395 40.739 0.40 17.08 H new ATOM 0 HB BTHR A 39 87.702 14.956 42.796 0.40 17.83 H new ATOM 0 HG1BTHR A 39 89.597 15.595 43.601 0.40 19.26 H new ATOM 0 HG21BTHR A 39 88.590 12.979 41.829 0.40 17.00 H new ATOM 0 HG22BTHR A 39 87.674 13.726 40.774 0.40 17.00 H new ATOM 0 HG23BTHR A 39 89.251 13.840 40.675 0.40 17.00 H new ATOM 282 N BLEU A 40 85.894 16.589 41.192 0.40 16.50 N ATOM 283 CA BLEU A 40 84.597 16.631 40.509 0.40 16.69 C ATOM 284 C BLEU A 40 84.591 17.692 39.408 0.40 19.62 C ATOM 285 O BLEU A 40 84.093 17.463 38.300 0.40 18.42 O ATOM 286 CB BLEU A 40 83.494 16.935 41.513 0.40 17.75 C ATOM 287 CG BLEU A 40 83.228 15.820 42.539 0.40 20.39 C ATOM 288 CD1BLEU A 40 82.013 16.209 43.366 0.40 19.84 C ATOM 289 CD2BLEU A 40 82.982 14.463 41.821 0.40 19.28 C ATOM 0 H BLEU A 40 85.855 16.746 42.037 0.40 16.50 H new ATOM 0 HA BLEU A 40 84.441 15.764 40.103 0.40 16.69 H new ATOM 0 HB2BLEU A 40 83.724 17.748 41.990 0.40 17.75 H new ATOM 0 HB3BLEU A 40 82.673 17.113 41.028 0.40 17.75 H new ATOM 0 HG BLEU A 40 84.001 15.714 43.115 0.40 20.39 H new ATOM 0 HD11BLEU A 40 81.831 15.516 44.019 0.40 19.84 H new ATOM 0 HD12BLEU A 40 82.187 17.046 43.824 0.40 19.84 H new ATOM 0 HD13BLEU A 40 81.245 16.314 42.783 0.40 19.84 H new ATOM 0 HD21BLEU A 40 82.816 13.772 42.482 0.40 19.28 H new ATOM 0 HD22BLEU A 40 82.212 14.541 41.236 0.40 19.28 H new ATOM 0 HD23BLEU A 40 83.764 14.228 41.297 0.40 19.28 H new ATOM 290 N BVAL A 41 85.143 18.862 39.715 0.40 19.29 N ATOM 291 CA BVAL A 41 85.214 19.934 38.734 0.40 20.56 C ATOM 292 C BVAL A 41 86.073 19.480 37.550 0.40 20.63 C ATOM 293 O BVAL A 41 85.735 19.725 36.384 0.40 19.71 O ATOM 294 CB BVAL A 41 85.818 21.212 39.380 0.40 21.49 C ATOM 295 CG1BVAL A 41 86.156 22.249 38.313 0.40 22.06 C ATOM 296 CG2BVAL A 41 84.816 21.787 40.374 0.40 22.00 C ATOM 0 H BVAL A 41 85.480 19.053 40.483 0.40 19.29 H new ATOM 0 HA BVAL A 41 84.321 20.143 38.420 0.40 20.56 H new ATOM 0 HB BVAL A 41 86.639 20.978 39.841 0.40 21.49 H new ATOM 0 HG11BVAL A 41 86.531 23.038 38.735 0.40 22.06 H new ATOM 0 HG12BVAL A 41 86.802 21.877 37.693 0.40 22.06 H new ATOM 0 HG13BVAL A 41 85.350 22.493 37.832 0.40 22.06 H new ATOM 0 HG21BVAL A 41 85.186 22.586 40.782 0.40 22.00 H new ATOM 0 HG22BVAL A 41 83.994 22.012 39.911 0.40 22.00 H new ATOM 0 HG23BVAL A 41 84.629 21.130 41.063 0.40 22.00 H new ATOM 297 N BGLY A 42 87.175 18.802 37.859 0.40 20.22 N ATOM 298 CA BGLY A 42 88.060 18.324 36.814 0.40 19.80 C ATOM 299 C BGLY A 42 87.398 17.280 35.935 0.40 19.46 C ATOM 300 O BGLY A 42 87.520 17.313 34.721 0.40 20.21 O ATOM 0 H BGLY A 42 87.423 18.612 38.660 0.40 20.22 H new ATOM 0 HA2BGLY A 42 88.345 19.072 36.266 0.40 19.80 H new ATOM 0 HA3BGLY A 42 88.858 17.947 37.216 0.40 19.80 H new ATOM 301 N BILE A 43 86.671 16.364 36.554 0.40 19.24 N ATOM 302 CA BILE A 43 85.994 15.311 35.815 0.40 19.71 C ATOM 303 C BILE A 43 84.961 15.840 34.818 0.40 19.99 C ATOM 304 O BILE A 43 85.049 15.546 33.629 0.40 17.90 O ATOM 305 CB BILE A 43 85.313 14.324 36.776 0.40 19.64 C ATOM 306 CG1BILE A 43 86.378 13.459 37.449 0.40 18.77 C ATOM 307 CG2BILE A 43 84.283 13.453 36.019 0.40 19.06 C ATOM 308 CD1BILE A 43 85.884 12.740 38.709 0.40 18.01 C ATOM 0 H BILE A 43 86.556 16.334 37.406 0.40 19.24 H new ATOM 0 HA BILE A 43 86.684 14.859 35.305 0.40 19.71 H new ATOM 0 HB BILE A 43 84.833 14.817 37.459 0.40 19.64 H new ATOM 0 HG12BILE A 43 86.696 12.799 36.813 0.40 18.77 H new ATOM 0 HG13BILE A 43 87.137 14.017 37.681 0.40 18.77 H new ATOM 0 HG21BILE A 43 83.863 12.836 36.639 0.40 19.06 H new ATOM 0 HG22BILE A 43 83.606 14.023 35.622 0.40 19.06 H new ATOM 0 HG23BILE A 43 84.733 12.952 35.321 0.40 19.06 H new ATOM 0 HD11BILE A 43 86.606 12.211 39.084 0.40 18.01 H new ATOM 0 HD12BILE A 43 85.590 13.395 39.361 0.40 18.01 H new ATOM 0 HD13BILE A 43 85.143 12.158 38.480 0.40 18.01 H new ATOM 309 N BSER A 44 83.988 16.620 35.283 0.40 20.19 N ATOM 310 CA BSER A 44 82.976 17.113 34.354 0.40 19.72 C ATOM 311 C BSER A 44 83.495 18.228 33.444 0.40 18.76 C ATOM 312 O BSER A 44 82.992 18.415 32.338 0.40 18.62 O ATOM 313 CB BSER A 44 81.702 17.535 35.115 0.40 21.64 C ATOM 314 OG BSER A 44 81.989 18.457 36.154 0.40 24.25 O ATOM 0 H BSER A 44 83.896 16.868 36.101 0.40 20.19 H new ATOM 0 HA BSER A 44 82.747 16.379 33.763 0.40 19.72 H new ATOM 0 HB2BSER A 44 81.072 17.933 34.494 0.40 21.64 H new ATOM 0 HB3BSER A 44 81.274 16.749 35.489 0.40 21.64 H new ATOM 0 HG BSER A 44 82.068 19.228 35.831 0.40 24.25 H new ATOM 315 N BGLY A 45 84.535 18.931 33.889 0.40 17.52 N ATOM 316 CA BGLY A 45 85.114 20.013 33.095 0.40 17.13 C ATOM 317 C BGLY A 45 85.826 19.512 31.849 0.40 17.17 C ATOM 318 O BGLY A 45 85.749 20.123 30.783 0.40 18.53 O ATOM 0 H BGLY A 45 84.919 18.798 34.647 0.40 17.52 H new ATOM 0 HA2BGLY A 45 84.412 20.630 32.835 0.40 17.13 H new ATOM 0 HA3BGLY A 45 85.741 20.511 33.643 0.40 17.13 H new ATOM 319 N BILE A 46 86.543 18.404 31.985 0.40 15.68 N ATOM 320 CA BILE A 46 87.232 17.807 30.848 0.40 15.51 C ATOM 321 C BILE A 46 86.147 17.221 29.933 0.40 15.96 C ATOM 322 O BILE A 46 86.212 17.337 28.707 0.40 16.67 O ATOM 323 CB BILE A 46 88.227 16.714 31.339 0.40 15.69 C ATOM 324 CG1BILE A 46 89.406 17.397 32.068 0.40 16.07 C ATOM 325 CG2BILE A 46 88.696 15.849 30.150 0.40 14.50 C ATOM 326 CD1BILE A 46 90.333 16.441 32.931 0.40 18.05 C ATOM 0 H BILE A 46 86.644 17.982 32.727 0.40 15.68 H new ATOM 0 HA BILE A 46 87.757 18.462 30.362 0.40 15.51 H new ATOM 0 HB BILE A 46 87.789 16.118 31.967 0.40 15.69 H new ATOM 0 HG12BILE A 46 89.958 17.844 31.407 0.40 16.07 H new ATOM 0 HG13BILE A 46 89.049 18.085 32.651 0.40 16.07 H new ATOM 0 HG21BILE A 46 89.315 15.172 30.466 0.40 14.50 H new ATOM 0 HG22BILE A 46 87.929 15.419 29.740 0.40 14.50 H new ATOM 0 HG23BILE A 46 89.139 16.411 29.496 0.40 14.50 H new ATOM 0 HD11BILE A 46 91.039 16.962 33.345 0.40 18.05 H new ATOM 0 HD12BILE A 46 89.802 16.011 33.620 0.40 18.05 H new ATOM 0 HD13BILE A 46 90.726 15.765 32.356 0.40 18.05 H new ATOM 327 N BALA A 47 85.137 16.605 30.539 0.40 16.38 N ATOM 328 CA BALA A 47 84.022 16.044 29.767 0.40 18.24 C ATOM 329 C BALA A 47 83.349 17.157 28.950 0.40 17.30 C ATOM 330 O BALA A 47 83.000 16.964 27.772 0.40 17.15 O ATOM 331 CB BALA A 47 83.013 15.401 30.706 0.40 18.66 C ATOM 0 H BALA A 47 85.074 16.500 31.390 0.40 16.38 H new ATOM 0 HA BALA A 47 84.361 15.366 29.161 0.40 18.24 H new ATOM 0 HB1BALA A 47 82.279 15.033 30.190 0.40 18.66 H new ATOM 0 HB2BALA A 47 83.444 14.691 31.207 0.40 18.66 H new ATOM 0 HB3BALA A 47 82.672 16.069 31.321 0.40 18.66 H new ATOM 332 N BALA A 48 83.172 18.318 29.581 0.40 15.65 N ATOM 333 CA BALA A 48 82.550 19.463 28.918 0.40 15.46 C ATOM 334 C BALA A 48 83.331 19.885 27.678 0.40 15.26 C ATOM 335 O BALA A 48 82.739 20.226 26.669 0.40 17.38 O ATOM 336 CB BALA A 48 82.435 20.655 29.899 0.40 15.80 C ATOM 0 H BALA A 48 83.406 18.463 30.396 0.40 15.65 H new ATOM 0 HA BALA A 48 81.662 19.192 28.636 0.40 15.46 H new ATOM 0 HB1BALA A 48 82.021 21.407 29.447 0.40 15.80 H new ATOM 0 HB2BALA A 48 81.892 20.397 30.660 0.40 15.80 H new ATOM 0 HB3BALA A 48 83.320 20.909 30.205 0.40 15.80 H new ATOM 337 N BVAL A 49 84.661 19.876 27.767 0.40 16.32 N ATOM 338 CA BVAL A 49 85.513 20.247 26.645 0.40 15.24 C ATOM 339 C BVAL A 49 85.374 19.243 25.494 0.40 14.50 C ATOM 340 O BVAL A 49 85.213 19.626 24.338 0.40 14.04 O ATOM 341 CB BVAL A 49 87.013 20.319 27.092 0.40 16.14 C ATOM 342 CG1BVAL A 49 87.930 20.485 25.874 0.40 16.97 C ATOM 343 CG2BVAL A 49 87.207 21.482 28.078 0.40 17.77 C ATOM 0 H BVAL A 49 85.091 19.655 28.478 0.40 16.32 H new ATOM 0 HA BVAL A 49 85.228 21.121 26.336 0.40 15.24 H new ATOM 0 HB BVAL A 49 87.249 19.489 27.536 0.40 16.14 H new ATOM 0 HG11BVAL A 49 88.854 20.528 26.167 0.40 16.97 H new ATOM 0 HG12BVAL A 49 87.816 19.729 25.277 0.40 16.97 H new ATOM 0 HG13BVAL A 49 87.702 21.303 25.406 0.40 16.97 H new ATOM 0 HG21BVAL A 49 88.137 21.523 28.352 0.40 17.77 H new ATOM 0 HG22BVAL A 49 86.960 22.316 27.648 0.40 17.77 H new ATOM 0 HG23BVAL A 49 86.647 21.343 28.857 0.40 17.77 H new ATOM 344 N BALA A 50 85.449 17.955 25.806 0.40 12.38 N ATOM 345 CA BALA A 50 85.316 16.935 24.769 0.40 14.22 C ATOM 346 C BALA A 50 83.950 17.056 24.059 0.40 13.73 C ATOM 347 O BALA A 50 83.858 16.912 22.830 0.40 14.31 O ATOM 348 CB BALA A 50 85.477 15.529 25.388 0.40 12.89 C ATOM 0 H BALA A 50 85.575 17.651 26.601 0.40 12.38 H new ATOM 0 HA BALA A 50 86.014 17.070 24.110 0.40 14.22 H new ATOM 0 HB1BALA A 50 85.387 14.857 24.694 0.40 12.89 H new ATOM 0 HB2BALA A 50 86.353 15.454 25.799 0.40 12.89 H new ATOM 0 HB3BALA A 50 84.792 15.391 26.061 0.40 12.89 H new ATOM 349 N BTYR A 51 82.886 17.320 24.812 0.40 12.71 N ATOM 350 CA BTYR A 51 81.591 17.445 24.153 0.40 13.57 C ATOM 351 C BTYR A 51 81.537 18.697 23.269 0.40 15.08 C ATOM 352 O BTYR A 51 80.977 18.662 22.175 0.40 14.61 O ATOM 353 CB BTYR A 51 80.442 17.408 25.177 0.40 16.07 C ATOM 354 CG BTYR A 51 79.997 15.976 25.443 0.40 16.92 C ATOM 355 CD1BTYR A 51 80.327 15.316 26.626 0.40 18.49 C ATOM 356 CD2BTYR A 51 79.321 15.254 24.459 0.40 18.40 C ATOM 357 CE1BTYR A 51 79.998 13.963 26.817 0.40 17.12 C ATOM 358 CE2BTYR A 51 78.991 13.907 24.640 0.40 19.13 C ATOM 359 CZ BTYR A 51 79.331 13.271 25.812 0.40 18.27 C ATOM 360 OH BTYR A 51 79.006 11.940 25.961 0.40 20.02 O ATOM 0 H BTYR A 51 82.888 17.426 25.665 0.40 12.71 H new ATOM 0 HA BTYR A 51 81.476 16.680 23.568 0.40 13.57 H new ATOM 0 HB2BTYR A 51 80.730 17.821 26.006 0.40 16.07 H new ATOM 0 HB3BTYR A 51 79.692 17.928 24.847 0.40 16.07 H new ATOM 0 HD1BTYR A 51 80.772 15.778 27.299 0.40 18.49 H new ATOM 0 HD2BTYR A 51 79.085 15.678 23.666 0.40 18.40 H new ATOM 0 HE1BTYR A 51 80.225 13.533 27.610 0.40 17.12 H new ATOM 0 HE2BTYR A 51 78.543 13.442 23.970 0.40 19.13 H new ATOM 0 HH BTYR A 51 79.450 11.612 26.594 0.40 20.02 H new ATOM 361 N BVAL A 52 82.138 19.792 23.726 0.40 14.13 N ATOM 362 CA BVAL A 52 82.167 21.013 22.912 0.40 14.38 C ATOM 363 C BVAL A 52 82.990 20.789 21.644 0.40 16.40 C ATOM 364 O BVAL A 52 82.614 21.246 20.566 0.40 18.33 O ATOM 365 CB BVAL A 52 82.769 22.214 23.704 0.40 14.52 C ATOM 366 CG1BVAL A 52 83.079 23.379 22.760 0.40 15.70 C ATOM 367 CG2BVAL A 52 81.790 22.656 24.765 0.40 16.08 C ATOM 0 H BVAL A 52 82.529 19.853 24.489 0.40 14.13 H new ATOM 0 HA BVAL A 52 81.250 21.224 22.676 0.40 14.38 H new ATOM 0 HB BVAL A 52 83.597 21.932 24.124 0.40 14.52 H new ATOM 0 HG11BVAL A 52 83.452 24.117 23.268 0.40 15.70 H new ATOM 0 HG12BVAL A 52 83.719 23.092 22.090 0.40 15.70 H new ATOM 0 HG13BVAL A 52 82.262 23.668 22.323 0.40 15.70 H new ATOM 0 HG21BVAL A 52 82.163 23.403 25.259 0.40 16.08 H new ATOM 0 HG22BVAL A 52 80.959 22.929 24.345 0.40 16.08 H new ATOM 0 HG23BVAL A 52 81.618 21.920 25.374 0.40 16.08 H new ATOM 368 N BVAL A 53 84.114 20.081 21.761 0.40 17.03 N ATOM 369 CA BVAL A 53 84.937 19.808 20.593 0.40 18.36 C ATOM 370 C BVAL A 53 84.126 18.966 19.597 0.40 17.67 C ATOM 371 O BVAL A 53 84.122 19.233 18.387 0.40 17.40 O ATOM 372 CB BVAL A 53 86.260 19.074 20.993 0.40 20.24 C ATOM 373 CG1BVAL A 53 87.003 18.587 19.752 0.40 20.87 C ATOM 374 CG2BVAL A 53 87.164 20.034 21.785 0.40 20.75 C ATOM 0 H BVAL A 53 84.411 19.755 22.499 0.40 17.03 H new ATOM 0 HA BVAL A 53 85.189 20.648 20.178 0.40 18.36 H new ATOM 0 HB BVAL A 53 86.033 18.307 21.542 0.40 20.24 H new ATOM 0 HG11BVAL A 53 87.819 18.135 20.019 0.40 20.87 H new ATOM 0 HG12BVAL A 53 86.440 17.971 19.258 0.40 20.87 H new ATOM 0 HG13BVAL A 53 87.223 19.345 19.188 0.40 20.87 H new ATOM 0 HG21BVAL A 53 87.983 19.577 22.032 0.40 20.75 H new ATOM 0 HG22BVAL A 53 87.377 20.805 21.236 0.40 20.75 H new ATOM 0 HG23BVAL A 53 86.703 20.326 22.587 0.40 20.75 H new ATOM 375 N BMET A 54 83.423 17.955 20.094 0.40 16.76 N ATOM 376 CA BMET A 54 82.613 17.130 19.201 0.40 17.60 C ATOM 377 C BMET A 54 81.430 17.935 18.632 0.40 17.55 C ATOM 378 O BMET A 54 81.096 17.800 17.450 0.40 17.99 O ATOM 379 CB BMET A 54 82.119 15.878 19.937 0.40 17.69 C ATOM 380 CG BMET A 54 83.248 14.886 20.202 0.40 17.15 C ATOM 381 SD BMET A 54 82.736 13.341 21.004 0.40 20.51 S ATOM 382 CE BMET A 54 82.375 13.920 22.681 0.40 17.28 C ATOM 0 H BMET A 54 83.399 17.732 20.924 0.40 16.76 H new ATOM 0 HA BMET A 54 83.167 16.850 18.455 0.40 17.60 H new ATOM 0 HB2BMET A 54 81.714 16.138 20.779 0.40 17.69 H new ATOM 0 HB3BMET A 54 81.428 15.447 19.411 0.40 17.69 H new ATOM 0 HG2BMET A 54 83.676 14.671 19.359 0.40 17.15 H new ATOM 0 HG3BMET A 54 83.916 15.317 20.757 0.40 17.15 H new ATOM 0 HE1BMET A 54 82.237 13.157 23.264 0.40 17.28 H new ATOM 0 HE2BMET A 54 83.120 14.447 23.009 0.40 17.28 H new ATOM 0 HE3BMET A 54 81.574 14.466 22.669 0.40 17.28 H new ATOM 383 N BALA A 55 80.808 18.768 19.465 0.40 16.61 N ATOM 384 CA BALA A 55 79.686 19.612 19.010 0.40 17.56 C ATOM 385 C BALA A 55 80.106 20.512 17.834 0.40 18.98 C ATOM 386 O BALA A 55 79.300 20.819 16.955 0.40 20.71 O ATOM 387 CB BALA A 55 79.163 20.476 20.159 0.40 15.51 C ATOM 0 H BALA A 55 81.014 18.864 20.294 0.40 16.61 H new ATOM 0 HA BALA A 55 78.979 19.021 18.708 0.40 17.56 H new ATOM 0 HB1BALA A 55 78.427 21.024 19.843 0.40 15.51 H new ATOM 0 HB2BALA A 55 78.854 19.904 20.879 0.40 15.51 H new ATOM 0 HB3BALA A 55 79.875 21.049 20.484 0.40 15.51 H new ATOM 388 N BLEU A 56 81.370 20.927 17.821 0.40 18.43 N ATOM 389 CA BLEU A 56 81.887 21.774 16.747 0.40 19.93 C ATOM 390 C BLEU A 56 82.346 20.953 15.542 0.40 21.65 C ATOM 391 O BLEU A 56 82.964 21.484 14.622 0.40 22.02 O ATOM 392 CB BLEU A 56 83.054 22.637 17.255 0.40 19.81 C ATOM 393 CG BLEU A 56 82.695 23.657 18.340 0.40 19.89 C ATOM 394 CD1BLEU A 56 83.963 24.186 18.996 0.40 19.44 C ATOM 395 CD2BLEU A 56 81.869 24.799 17.723 0.40 20.33 C ATOM 0 H BLEU A 56 81.947 20.729 18.427 0.40 18.43 H new ATOM 0 HA BLEU A 56 81.158 22.347 16.461 0.40 19.93 H new ATOM 0 HB2BLEU A 56 83.744 22.049 17.601 0.40 19.81 H new ATOM 0 HB3BLEU A 56 83.437 23.112 16.501 0.40 19.81 H new ATOM 0 HG BLEU A 56 82.159 23.229 19.026 0.40 19.89 H new ATOM 0 HD11BLEU A 56 83.728 24.831 19.681 0.40 19.44 H new ATOM 0 HD12BLEU A 56 84.451 23.450 19.398 0.40 19.44 H new ATOM 0 HD13BLEU A 56 84.519 24.614 18.327 0.40 19.44 H new ATOM 0 HD21BLEU A 56 81.643 25.444 18.412 0.40 20.33 H new ATOM 0 HD22BLEU A 56 82.388 25.236 17.030 0.40 20.33 H new ATOM 0 HD23BLEU A 56 81.055 24.438 17.338 0.40 20.33 H new ATOM 396 N BGLY A 57 82.042 19.658 15.551 0.40 23.21 N ATOM 397 CA BGLY A 57 82.415 18.791 14.443 0.40 23.25 C ATOM 398 C BGLY A 57 83.909 18.546 14.322 0.40 23.86 C ATOM 399 O BGLY A 57 84.463 18.492 13.220 0.40 25.50 O ATOM 0 H BGLY A 57 81.621 19.264 16.189 0.40 23.21 H new ATOM 0 HA2BGLY A 57 81.965 17.938 14.547 0.40 23.25 H new ATOM 0 HA3BGLY A 57 82.093 19.183 13.616 0.40 23.25 H new ATOM 400 N BVAL A 58 84.580 18.404 15.454 0.40 22.71 N ATOM 401 CA BVAL A 58 86.010 18.156 15.428 0.40 19.85 C ATOM 402 C BVAL A 58 86.274 16.793 16.078 0.40 21.09 C ATOM 403 O BVAL A 58 85.638 16.434 17.071 0.40 20.58 O ATOM 404 CB BVAL A 58 86.774 19.292 16.159 0.40 20.88 C ATOM 405 CG1BVAL A 58 88.283 19.055 16.096 0.40 21.40 C ATOM 406 CG2BVAL A 58 86.443 20.650 15.499 0.40 19.32 C ATOM 0 H BVAL A 58 84.231 18.447 16.239 0.40 22.71 H new ATOM 0 HA BVAL A 58 86.331 18.142 14.513 0.40 19.85 H new ATOM 0 HB BVAL A 58 86.496 19.300 17.088 0.40 20.88 H new ATOM 0 HG11BVAL A 58 88.743 19.774 16.557 0.40 21.40 H new ATOM 0 HG12BVAL A 58 88.496 18.210 16.521 0.40 21.40 H new ATOM 0 HG13BVAL A 58 88.569 19.031 15.169 0.40 21.40 H new ATOM 0 HG21BVAL A 58 86.922 21.358 15.958 0.40 19.32 H new ATOM 0 HG22BVAL A 58 86.710 20.631 14.567 0.40 19.32 H new ATOM 0 HG23BVAL A 58 85.489 20.815 15.558 0.40 19.32 H new ATOM 407 N BGLY A 59 87.185 16.020 15.495 0.40 20.59 N ATOM 408 CA BGLY A 59 87.495 14.712 16.050 0.40 23.20 C ATOM 409 C BGLY A 59 86.566 13.609 15.571 0.40 24.25 C ATOM 410 O BGLY A 59 86.501 12.536 16.170 0.40 23.18 O ATOM 0 H BGLY A 59 87.628 16.231 14.789 0.40 20.59 H new ATOM 0 HA2BGLY A 59 88.407 14.479 15.818 0.40 23.20 H new ATOM 0 HA3BGLY A 59 87.453 14.762 17.018 0.40 23.20 H new ATOM 411 N BTRP A 60 85.830 13.868 14.495 0.40 24.63 N ATOM 412 CA BTRP A 60 84.936 12.856 13.944 0.40 26.31 C ATOM 413 C BTRP A 60 85.804 12.027 13.017 0.40 28.12 C ATOM 414 O BTRP A 60 86.424 12.574 12.107 0.40 27.15 O ATOM 415 CB BTRP A 60 83.806 13.506 13.144 0.40 24.12 C ATOM 416 CG BTRP A 60 82.804 14.238 13.971 0.40 23.62 C ATOM 417 CD1BTRP A 60 83.024 14.877 15.158 0.40 22.88 C ATOM 418 CD2BTRP A 60 81.442 14.500 13.622 0.40 22.79 C ATOM 419 NE1BTRP A 60 81.887 15.527 15.565 0.40 21.23 N ATOM 420 CE2BTRP A 60 80.899 15.314 14.640 0.40 21.49 C ATOM 421 CE3BTRP A 60 80.625 14.130 12.541 0.40 22.10 C ATOM 422 CZ2BTRP A 60 79.577 15.768 14.612 0.40 20.57 C ATOM 423 CZ3BTRP A 60 79.309 14.584 12.514 0.40 20.21 C ATOM 424 CH2BTRP A 60 78.801 15.394 13.544 0.40 20.91 C ATOM 0 H BTRP A 60 85.833 14.617 14.072 0.40 24.63 H new ATOM 0 HA BTRP A 60 84.523 12.327 14.644 0.40 26.31 H new ATOM 0 HB2BTRP A 60 84.192 14.123 12.503 0.40 24.12 H new ATOM 0 HB3BTRP A 60 83.348 12.819 12.635 0.40 24.12 H new ATOM 0 HD1BTRP A 60 83.829 14.872 15.623 0.40 22.88 H new ATOM 0 HE1BTRP A 60 81.807 15.992 16.284 0.40 21.23 H new ATOM 0 HE3BTRP A 60 80.956 13.593 11.858 0.40 22.10 H new ATOM 0 HZ2BTRP A 60 79.236 16.303 15.292 0.40 20.57 H new ATOM 0 HZ3BTRP A 60 78.758 14.348 11.803 0.40 20.21 H new ATOM 0 HH2BTRP A 60 77.918 15.683 13.501 0.40 20.91 H new ATOM 425 N BVAL A 61 85.858 10.719 13.246 0.40 29.49 N ATOM 426 CA BVAL A 61 86.685 9.846 12.417 0.40 32.40 C ATOM 427 C BVAL A 61 85.821 8.898 11.589 0.40 34.69 C ATOM 428 O BVAL A 61 85.444 7.820 12.047 0.40 33.77 O ATOM 429 CB BVAL A 61 87.668 9.024 13.287 0.40 32.83 C ATOM 430 CG1BVAL A 61 88.571 8.180 12.401 0.40 32.80 C ATOM 431 CG2BVAL A 61 88.498 9.963 14.168 0.40 31.75 C ATOM 0 H BVAL A 61 85.426 10.318 13.873 0.40 29.49 H new ATOM 0 HA BVAL A 61 87.194 10.413 11.816 0.40 32.40 H new ATOM 0 HB BVAL A 61 87.162 8.429 13.862 0.40 32.83 H new ATOM 0 HG11BVAL A 61 89.182 7.669 12.955 0.40 32.80 H new ATOM 0 HG12BVAL A 61 88.030 7.573 11.872 0.40 32.80 H new ATOM 0 HG13BVAL A 61 89.077 8.759 11.810 0.40 32.80 H new ATOM 0 HG21BVAL A 61 89.111 9.441 14.710 0.40 31.75 H new ATOM 0 HG22BVAL A 61 89.002 10.573 13.606 0.40 31.75 H new ATOM 0 HG23BVAL A 61 87.907 10.470 14.747 0.40 31.75 H new ATOM 432 N BPRO A 62 85.471 9.314 10.362 0.40 38.04 N ATOM 433 CA BPRO A 62 84.648 8.529 9.441 0.40 40.22 C ATOM 434 C BPRO A 62 85.515 7.690 8.519 0.40 41.30 C ATOM 435 O BPRO A 62 86.007 8.180 7.505 0.40 42.17 O ATOM 436 CB BPRO A 62 83.877 9.600 8.683 0.40 40.75 C ATOM 437 CG BPRO A 62 84.913 10.665 8.518 0.40 40.85 C ATOM 438 CD BPRO A 62 85.609 10.704 9.878 0.40 39.50 C ATOM 0 HA BPRO A 62 84.066 7.891 9.883 0.40 40.22 H new ATOM 0 HB2BPRO A 62 83.549 9.276 7.829 0.40 40.75 H new ATOM 0 HB3BPRO A 62 83.107 9.916 9.182 0.40 40.75 H new ATOM 0 HG2BPRO A 62 85.535 10.450 7.805 0.40 40.85 H new ATOM 0 HG3BPRO A 62 84.513 11.521 8.297 0.40 40.85 H new ATOM 0 HD2BPRO A 62 86.540 10.966 9.798 0.40 39.50 H new ATOM 0 HD3BPRO A 62 85.187 11.337 10.479 0.40 39.50 H new ATOM 439 N BVAL A 63 85.698 6.426 8.887 0.40 43.31 N ATOM 440 CA BVAL A 63 86.507 5.491 8.113 0.40 43.66 C ATOM 441 C BVAL A 63 86.114 4.053 8.443 0.40 43.28 C ATOM 442 O BVAL A 63 85.599 3.774 9.530 0.40 43.47 O ATOM 443 CB BVAL A 63 88.007 5.673 8.417 0.40 44.56 C ATOM 444 CG1BVAL A 63 88.551 6.870 7.670 0.40 45.20 C ATOM 445 CG2BVAL A 63 88.204 5.856 9.908 0.40 44.11 C ATOM 0 H BVAL A 63 85.354 6.085 9.597 0.40 43.31 H new ATOM 0 HA BVAL A 63 86.347 5.673 7.174 0.40 43.66 H new ATOM 0 HB BVAL A 63 88.488 4.883 8.126 0.40 44.56 H new ATOM 0 HG11BVAL A 63 89.495 6.974 7.869 0.40 45.20 H new ATOM 0 HG12BVAL A 63 88.435 6.737 6.716 0.40 45.20 H new ATOM 0 HG13BVAL A 63 88.073 7.668 7.945 0.40 45.20 H new ATOM 0 HG21BVAL A 63 89.148 5.970 10.098 0.40 44.11 H new ATOM 0 HG22BVAL A 63 87.717 6.641 10.205 0.40 44.11 H new ATOM 0 HG23BVAL A 63 87.873 5.074 10.377 0.40 44.11 H new ATOM 446 N BALA A 64 86.369 3.147 7.503 0.40 41.46 N ATOM 447 CA BALA A 64 86.038 1.736 7.675 0.40 39.02 C ATOM 448 C BALA A 64 84.525 1.568 7.736 0.40 37.76 C ATOM 449 O BALA A 64 84.006 0.656 8.385 0.40 36.57 O ATOM 450 CB BALA A 64 86.685 1.190 8.939 0.40 40.46 C ATOM 0 H BALA A 64 86.738 3.333 6.749 0.40 41.46 H new ATOM 0 HA BALA A 64 86.381 1.236 6.918 0.40 39.02 H new ATOM 0 HB1BALA A 64 86.457 0.253 9.041 0.40 40.46 H new ATOM 0 HB2BALA A 64 87.648 1.283 8.876 0.40 40.46 H new ATOM 0 HB3BALA A 64 86.363 1.686 9.708 0.40 40.46 H new ATOM 451 N BGLU A 65 83.824 2.483 7.077 0.40 36.05 N ATOM 452 CA BGLU A 65 82.369 2.447 6.993 0.40 36.55 C ATOM 453 C BGLU A 65 81.645 2.875 8.276 0.40 35.25 C ATOM 454 O BGLU A 65 80.417 2.920 8.311 0.40 35.39 O ATOM 455 CB BGLU A 65 81.728 1.177 6.261 0.40 38.77 C ATOM 456 CG BGLU A 65 82.327 0.993 4.876 0.40 43.79 C ATOM 457 CD BGLU A 65 81.653 -0.112 4.092 0.40 46.32 C ATOM 458 OE1BGLU A 65 80.433 -0.002 3.839 0.40 47.21 O ATOM 459 OE2BGLU A 65 82.345 -1.086 3.729 0.40 48.11 O ATOM 0 H BGLU A 65 84.181 3.147 6.663 0.40 36.05 H new ATOM 0 HA BGLU A 65 82.187 3.159 6.359 0.40 36.55 H new ATOM 0 HB2BGLU A 65 81.881 0.380 6.793 0.40 38.77 H new ATOM 0 HB3BGLU A 65 80.767 1.290 6.190 0.40 38.77 H new ATOM 0 HG2BGLU A 65 82.255 1.825 4.383 0.40 43.79 H new ATOM 0 HG3BGLU A 65 83.273 0.795 4.960 0.40 43.79 H new ATOM 460 N BARG A 66 82.396 3.194 9.323 0.40 33.81 N ATOM 461 CA BARG A 66 81.778 3.634 10.573 0.40 34.15 C ATOM 462 C BARG A 66 82.356 4.989 10.983 0.40 32.00 C ATOM 463 O BARG A 66 83.313 5.482 10.384 0.40 31.26 O ATOM 464 CB BARG A 66 81.996 2.335 11.590 0.40 36.10 C ATOM 465 CG BARG A 66 83.473 1.967 11.620 0.40 41.11 C ATOM 466 CD BARG A 66 83.744 0.872 12.646 0.40 43.37 C ATOM 467 NE BARG A 66 82.783 -0.229 12.551 0.40 46.67 N ATOM 468 CZ BARG A 66 82.735 -1.109 11.557 0.40 47.35 C ATOM 469 NH1BARG A 66 83.599 -1.032 10.553 0.40 48.18 N ATOM 470 NH2BARG A 66 81.820 -2.070 11.567 0.40 48.03 N ATOM 0 H BARG A 66 83.255 3.164 9.334 0.40 33.81 H new ATOM 0 HA BARG A 66 80.829 3.833 10.548 0.40 34.15 H new ATOM 0 HB2BARG A 66 81.688 2.554 12.483 0.40 36.10 H new ATOM 0 HB3BARG A 66 81.469 1.580 11.285 0.40 36.10 H new ATOM 0 HG2BARG A 66 83.753 1.667 10.741 0.40 41.11 H new ATOM 0 HG3BARG A 66 84.001 2.752 11.833 0.40 41.11 H new ATOM 0 HD2BARG A 66 84.642 0.527 12.518 0.40 43.37 H new ATOM 0 HD3BARG A 66 83.710 1.252 13.538 0.40 43.37 H new ATOM 0 HE BARG A 66 82.208 -0.312 13.185 0.40 46.67 H new ATOM 0 HH11BARG A 66 84.193 -0.411 10.544 0.40 48.18 H new ATOM 0 HH12BARG A 66 83.565 -1.604 9.911 0.40 48.18 H new ATOM 0 HH21BARG A 66 81.259 -2.123 12.217 0.40 48.03 H new ATOM 0 HH22BARG A 66 81.788 -2.640 10.924 0.40 48.03 H new ATOM 471 N BTHR A 67 81.761 5.598 12.002 0.40 30.19 N ATOM 472 CA BTHR A 67 82.267 6.868 12.506 0.40 29.90 C ATOM 473 C BTHR A 67 82.591 6.717 13.986 0.40 28.42 C ATOM 474 O BTHR A 67 81.743 6.269 14.763 0.40 29.30 O ATOM 475 CB BTHR A 67 81.235 8.004 12.342 0.40 30.45 C ATOM 476 OG1BTHR A 67 81.039 8.271 10.947 0.40 32.90 O ATOM 477 CG2BTHR A 67 81.722 9.272 13.048 0.40 30.04 C ATOM 0 H BTHR A 67 81.069 5.296 12.413 0.40 30.19 H new ATOM 0 HA BTHR A 67 83.058 7.099 11.994 0.40 29.90 H new ATOM 0 HB BTHR A 67 80.395 7.729 12.743 0.40 30.45 H new ATOM 0 HG1BTHR A 67 80.476 8.888 10.856 0.40 32.90 H new ATOM 0 HG21BTHR A 67 81.065 9.977 12.937 0.40 30.04 H new ATOM 0 HG22BTHR A 67 81.844 9.090 13.993 0.40 30.04 H new ATOM 0 HG23BTHR A 67 82.566 9.554 12.662 0.40 30.04 H new ATOM 478 N BVAL A 68 83.822 7.060 14.359 0.40 28.91 N ATOM 479 CA BVAL A 68 84.256 7.001 15.754 0.40 27.93 C ATOM 480 C BVAL A 68 84.543 8.462 16.130 0.40 24.90 C ATOM 481 O BVAL A 68 84.927 9.264 15.280 0.40 25.91 O ATOM 482 CB BVAL A 68 85.559 6.121 15.955 0.40 27.08 C ATOM 483 CG1BVAL A 68 85.519 4.894 15.056 0.40 31.10 C ATOM 484 CG2BVAL A 68 86.800 6.926 15.699 0.40 28.49 C ATOM 0 H BVAL A 68 84.428 7.333 13.813 0.40 28.91 H new ATOM 0 HA BVAL A 68 83.578 6.585 16.309 0.40 27.93 H new ATOM 0 HB BVAL A 68 85.582 5.825 16.878 0.40 27.08 H new ATOM 0 HG11BVAL A 68 86.322 4.367 15.191 0.40 31.10 H new ATOM 0 HG12BVAL A 68 84.741 4.358 15.274 0.40 31.10 H new ATOM 0 HG13BVAL A 68 85.468 5.174 14.129 0.40 31.10 H new ATOM 0 HG21BVAL A 68 87.582 6.366 15.828 0.40 28.49 H new ATOM 0 HG22BVAL A 68 86.788 7.258 14.788 0.40 28.49 H new ATOM 0 HG23BVAL A 68 86.833 7.674 16.315 0.40 28.49 H new ATOM 485 N BPHE A 69 84.348 8.800 17.393 0.40 22.07 N ATOM 486 CA BPHE A 69 84.556 10.168 17.865 0.40 20.90 C ATOM 487 C BPHE A 69 85.755 10.175 18.797 0.40 20.07 C ATOM 488 O BPHE A 69 85.648 9.803 19.971 0.40 19.95 O ATOM 489 CB BPHE A 69 83.288 10.639 18.580 0.40 20.52 C ATOM 490 CG BPHE A 69 82.079 10.703 17.678 0.40 19.97 C ATOM 491 CD1BPHE A 69 81.934 11.746 16.752 0.40 20.99 C ATOM 492 CD2BPHE A 69 81.108 9.699 17.721 0.40 21.17 C ATOM 493 CE1BPHE A 69 80.847 11.789 15.883 0.40 17.72 C ATOM 494 CE2BPHE A 69 80.008 9.727 16.856 0.40 20.05 C ATOM 495 CZ BPHE A 69 79.875 10.770 15.934 0.40 20.49 C ATOM 0 H BPHE A 69 84.093 8.250 18.003 0.40 22.07 H new ATOM 0 HA BPHE A 69 84.732 10.774 17.128 0.40 20.90 H new ATOM 0 HB2BPHE A 69 83.100 10.040 19.319 0.40 20.52 H new ATOM 0 HB3BPHE A 69 83.446 11.517 18.960 0.40 20.52 H new ATOM 0 HD1BPHE A 69 82.574 12.420 16.718 0.40 20.99 H new ATOM 0 HD2BPHE A 69 81.194 9.003 18.332 0.40 21.17 H new ATOM 0 HE1BPHE A 69 80.763 12.486 15.273 0.40 17.72 H new ATOM 0 HE2BPHE A 69 79.367 9.054 16.894 0.40 20.05 H new ATOM 0 HZ BPHE A 69 79.147 10.791 15.356 0.40 20.49 H new ATOM 496 N BALA A 70 86.904 10.585 18.270 0.40 18.98 N ATOM 497 CA BALA A 70 88.137 10.586 19.051 0.40 18.91 C ATOM 498 C BALA A 70 88.071 11.296 20.401 0.40 18.23 C ATOM 499 O BALA A 70 88.606 10.788 21.379 0.40 18.82 O ATOM 500 CB BALA A 70 89.307 11.149 18.203 0.40 20.98 C ATOM 0 H BALA A 70 86.992 10.867 17.462 0.40 18.98 H new ATOM 0 HA BALA A 70 88.287 9.654 19.274 0.40 18.91 H new ATOM 0 HB1BALA A 70 90.121 11.145 18.731 0.40 20.98 H new ATOM 0 HB2BALA A 70 89.431 10.597 17.415 0.40 20.98 H new ATOM 0 HB3BALA A 70 89.102 12.058 17.932 0.40 20.98 H new ATOM 501 N BPRO A 71 87.416 12.475 20.480 0.40 18.36 N ATOM 502 CA BPRO A 71 87.354 13.165 21.783 0.40 15.36 C ATOM 503 C BPRO A 71 86.669 12.348 22.873 0.40 15.89 C ATOM 504 O BPRO A 71 86.930 12.538 24.058 0.40 15.34 O ATOM 505 CB BPRO A 71 86.593 14.456 21.474 0.40 16.14 C ATOM 506 CG BPRO A 71 86.894 14.698 20.002 0.40 16.42 C ATOM 507 CD BPRO A 71 86.797 13.290 19.416 0.40 15.63 C ATOM 0 HA BPRO A 71 88.240 13.321 22.145 0.40 15.36 H new ATOM 0 HB2BPRO A 71 85.641 14.357 21.633 0.40 16.14 H new ATOM 0 HB3BPRO A 71 86.898 15.192 22.027 0.40 16.14 H new ATOM 0 HG2BPRO A 71 86.254 15.304 19.596 0.40 16.42 H new ATOM 0 HG3BPRO A 71 87.774 15.085 19.871 0.40 16.42 H new ATOM 0 HD2BPRO A 71 85.878 13.029 19.246 0.40 15.63 H new ATOM 0 HD3BPRO A 71 87.274 13.213 18.575 0.40 15.63 H new ATOM 508 N BARG A 72 85.766 11.460 22.471 0.40 16.46 N ATOM 509 CA BARG A 72 85.075 10.620 23.440 0.40 18.95 C ATOM 510 C BARG A 72 86.104 9.743 24.148 0.40 18.17 C ATOM 511 O BARG A 72 86.171 9.741 25.375 0.40 17.53 O ATOM 512 CB BARG A 72 84.030 9.744 22.743 0.40 18.57 C ATOM 513 CG BARG A 72 83.680 8.481 23.503 0.40 22.50 C ATOM 514 CD BARG A 72 82.761 7.613 22.669 0.40 23.88 C ATOM 515 NE BARG A 72 81.490 8.289 22.422 0.40 24.31 N ATOM 516 CZ BARG A 72 80.535 7.813 21.631 0.40 26.52 C ATOM 517 NH1BARG A 72 80.704 6.655 21.005 0.40 29.98 N ATOM 518 NH2BARG A 72 79.407 8.489 21.474 0.40 27.56 N ATOM 0 H BARG A 72 85.541 11.329 21.651 0.40 16.46 H new ATOM 0 HA BARG A 72 84.617 11.180 24.085 0.40 18.95 H new ATOM 0 HB2BARG A 72 83.222 10.264 22.609 0.40 18.57 H new ATOM 0 HB3BARG A 72 84.360 9.501 21.864 0.40 18.57 H new ATOM 0 HG2BARG A 72 84.488 7.992 23.722 0.40 22.50 H new ATOM 0 HG3BARG A 72 83.250 8.708 24.342 0.40 22.50 H new ATOM 0 HD2BARG A 72 83.188 7.401 21.825 0.40 23.88 H new ATOM 0 HD3BARG A 72 82.601 6.772 23.125 0.40 23.88 H new ATOM 0 HE BARG A 72 81.351 9.042 22.813 0.40 24.31 H new ATOM 0 HH11BARG A 72 81.433 6.211 21.111 0.40 29.98 H new ATOM 0 HH12BARG A 72 80.085 6.348 20.493 0.40 29.98 H new ATOM 0 HH21BARG A 72 79.293 9.236 21.884 0.40 27.56 H new ATOM 0 HH22BARG A 72 78.789 8.181 20.962 0.40 27.56 H new ATOM 519 N BTYR A 73 86.908 9.011 23.381 0.40 18.49 N ATOM 520 CA BTYR A 73 87.915 8.128 23.976 0.40 19.09 C ATOM 521 C BTYR A 73 88.991 8.889 24.747 0.40 19.48 C ATOM 522 O BTYR A 73 89.510 8.374 25.739 0.40 18.76 O ATOM 523 CB BTYR A 73 88.543 7.232 22.894 0.40 21.05 C ATOM 524 CG BTYR A 73 87.479 6.435 22.167 0.40 21.89 C ATOM 525 CD1BTYR A 73 86.824 5.375 22.795 0.40 22.19 C ATOM 526 CD2BTYR A 73 87.017 6.839 20.916 0.40 21.68 C ATOM 527 CE1BTYR A 73 85.720 4.750 22.198 0.40 24.86 C ATOM 528 CE2BTYR A 73 85.921 6.223 20.314 0.40 23.26 C ATOM 529 CZ BTYR A 73 85.274 5.186 20.959 0.40 26.08 C ATOM 530 OH BTYR A 73 84.152 4.623 20.380 0.40 26.77 O ATOM 0 H BTYR A 73 86.889 9.009 22.521 0.40 18.49 H new ATOM 0 HA BTYR A 73 87.458 7.571 24.625 0.40 19.09 H new ATOM 0 HB2BTYR A 73 89.032 7.779 22.260 0.40 21.05 H new ATOM 0 HB3BTYR A 73 89.183 6.628 23.301 0.40 21.05 H new ATOM 0 HD1BTYR A 73 87.125 5.078 23.623 0.40 22.19 H new ATOM 0 HD2BTYR A 73 87.449 7.534 20.474 0.40 21.68 H new ATOM 0 HE1BTYR A 73 85.290 4.048 22.630 0.40 24.86 H new ATOM 0 HE2BTYR A 73 85.626 6.509 19.480 0.40 23.26 H new ATOM 0 HH BTYR A 73 84.007 4.988 19.638 0.40 26.77 H new ATOM 531 N BILE A 74 89.322 10.106 24.304 0.40 19.31 N ATOM 532 CA BILE A 74 90.322 10.916 24.996 0.40 19.97 C ATOM 533 C BILE A 74 89.802 11.327 26.376 0.40 19.52 C ATOM 534 O BILE A 74 90.519 11.243 27.374 0.40 19.22 O ATOM 535 CB BILE A 74 90.697 12.198 24.186 0.40 21.02 C ATOM 536 CG1BILE A 74 91.444 11.816 22.905 0.40 22.00 C ATOM 537 CG2BILE A 74 91.551 13.135 25.045 0.40 21.03 C ATOM 538 CD1BILE A 74 92.606 10.862 23.117 0.40 22.67 C ATOM 0 H BILE A 74 88.979 10.477 23.608 0.40 19.31 H new ATOM 0 HA BILE A 74 91.120 10.372 25.088 0.40 19.97 H new ATOM 0 HB BILE A 74 89.881 12.662 23.940 0.40 21.02 H new ATOM 0 HG12BILE A 74 90.816 11.411 22.286 0.40 22.00 H new ATOM 0 HG13BILE A 74 91.776 12.624 22.484 0.40 22.00 H new ATOM 0 HG21BILE A 74 91.778 13.927 24.533 0.40 21.03 H new ATOM 0 HG22BILE A 74 91.052 13.394 25.836 0.40 21.03 H new ATOM 0 HG23BILE A 74 92.364 12.679 25.311 0.40 21.03 H new ATOM 0 HD11BILE A 74 93.026 10.669 22.264 0.40 22.67 H new ATOM 0 HD12BILE A 74 93.255 11.269 23.712 0.40 22.67 H new ATOM 0 HD13BILE A 74 92.280 10.037 23.511 0.40 22.67 H new ATOM 539 N BASP A 75 88.553 11.781 26.429 0.40 19.80 N ATOM 540 CA BASP A 75 87.920 12.167 27.688 0.40 20.37 C ATOM 541 C BASP A 75 87.916 10.957 28.653 0.40 18.09 C ATOM 542 O BASP A 75 88.277 11.085 29.816 0.40 16.03 O ATOM 543 CB BASP A 75 86.477 12.613 27.407 0.40 23.95 C ATOM 544 CG BASP A 75 85.771 13.161 28.632 0.40 30.87 C ATOM 545 OD1BASP A 75 86.020 14.338 28.970 0.40 35.99 O ATOM 546 OD2BASP A 75 84.956 12.424 29.256 0.40 30.73 O ATOM 0 H BASP A 75 88.049 11.874 25.738 0.40 19.80 H new ATOM 0 HA BASP A 75 88.412 12.897 28.095 0.40 20.37 H new ATOM 0 HB2BASP A 75 86.484 13.292 26.714 0.40 23.95 H new ATOM 0 HB3BASP A 75 85.974 11.860 27.061 0.40 23.95 H new ATOM 547 N BTRP A 76 87.507 9.777 28.183 0.40 15.63 N ATOM 548 CA BTRP A 76 87.487 8.620 29.088 0.40 15.23 C ATOM 549 C BTRP A 76 88.868 8.325 29.663 0.40 12.63 C ATOM 550 O BTRP A 76 89.019 8.021 30.844 0.40 13.98 O ATOM 551 CB BTRP A 76 86.988 7.369 28.370 0.40 16.85 C ATOM 552 CG BTRP A 76 85.565 7.436 27.913 0.40 17.89 C ATOM 553 CD1BTRP A 76 84.639 8.391 28.222 0.40 18.71 C ATOM 554 CD2BTRP A 76 84.911 6.504 27.050 0.40 17.88 C ATOM 555 NE1BTRP A 76 83.446 8.111 27.592 0.40 17.40 N ATOM 556 CE2BTRP A 76 83.585 6.959 26.869 0.40 18.46 C ATOM 557 CE3BTRP A 76 85.317 5.322 26.411 0.40 17.78 C ATOM 558 CZ2BTRP A 76 82.658 6.276 26.071 0.40 18.66 C ATOM 559 CZ3BTRP A 76 84.394 4.639 25.620 0.40 17.03 C ATOM 560 CH2BTRP A 76 83.078 5.123 25.457 0.40 19.51 C ATOM 0 H BTRP A 76 87.247 9.625 27.378 0.40 15.63 H new ATOM 0 HA BTRP A 76 86.883 8.850 29.811 0.40 15.23 H new ATOM 0 HB2BTRP A 76 87.555 7.205 27.600 0.40 16.85 H new ATOM 0 HB3BTRP A 76 87.089 6.608 28.963 0.40 16.85 H new ATOM 0 HD1BTRP A 76 84.791 9.122 28.776 0.40 18.71 H new ATOM 0 HE1BTRP A 76 82.730 8.584 27.645 0.40 17.40 H new ATOM 0 HE3BTRP A 76 86.184 5.001 26.513 0.40 17.78 H new ATOM 0 HZ2BTRP A 76 81.790 6.592 25.961 0.40 18.66 H new ATOM 0 HZ3BTRP A 76 84.649 3.853 25.193 0.40 17.03 H new ATOM 0 HH2BTRP A 76 82.483 4.650 24.922 0.40 19.51 H new ATOM 561 N BILE A 77 89.870 8.387 28.804 0.40 14.35 N ATOM 562 CA BILE A 77 91.242 8.130 29.223 0.40 15.34 C ATOM 563 C BILE A 77 91.610 9.062 30.373 0.40 15.99 C ATOM 564 O BILE A 77 92.236 8.633 31.342 0.40 15.38 O ATOM 565 CB BILE A 77 92.198 8.337 28.030 0.40 17.80 C ATOM 566 CG1BILE A 77 92.131 7.105 27.114 0.40 19.49 C ATOM 567 CG2BILE A 77 93.627 8.587 28.512 0.40 20.85 C ATOM 568 CD1BILE A 77 92.578 7.362 25.666 0.40 20.74 C ATOM 0 H BILE A 77 89.780 8.577 27.970 0.40 14.35 H new ATOM 0 HA BILE A 77 91.322 7.213 29.528 0.40 15.34 H new ATOM 0 HB BILE A 77 91.922 9.121 27.530 0.40 17.80 H new ATOM 0 HG12BILE A 77 92.685 6.405 27.492 0.40 19.49 H new ATOM 0 HG13BILE A 77 91.220 6.772 27.105 0.40 19.49 H new ATOM 0 HG21BILE A 77 94.209 8.714 27.747 0.40 20.85 H new ATOM 0 HG22BILE A 77 93.647 9.381 29.068 0.40 20.85 H new ATOM 0 HG23BILE A 77 93.933 7.824 29.027 0.40 20.85 H new ATOM 0 HD11BILE A 77 92.507 6.541 25.155 0.40 20.74 H new ATOM 0 HD12BILE A 77 92.011 8.040 25.268 0.40 20.74 H new ATOM 0 HD13BILE A 77 93.499 7.667 25.661 0.40 20.74 H new ATOM 569 N BLEU A 78 91.189 10.323 30.267 0.40 14.97 N ATOM 570 CA BLEU A 78 91.489 11.353 31.270 0.40 17.54 C ATOM 571 C BLEU A 78 90.553 11.518 32.474 0.40 17.98 C ATOM 572 O BLEU A 78 91.011 11.887 33.548 0.40 19.42 O ATOM 573 CB BLEU A 78 91.602 12.716 30.583 0.40 18.07 C ATOM 574 CG BLEU A 78 92.636 12.894 29.476 0.40 21.65 C ATOM 575 CD1BLEU A 78 92.469 14.275 28.845 0.40 20.59 C ATOM 576 CD2BLEU A 78 94.041 12.716 30.050 0.40 22.84 C ATOM 0 H BLEU A 78 90.718 10.609 29.607 0.40 14.97 H new ATOM 0 HA BLEU A 78 92.315 11.022 31.657 0.40 17.54 H new ATOM 0 HB2BLEU A 78 90.732 12.931 30.211 0.40 18.07 H new ATOM 0 HB3BLEU A 78 91.788 13.377 31.269 0.40 18.07 H new ATOM 0 HG BLEU A 78 92.504 12.223 28.788 0.40 21.65 H new ATOM 0 HD11BLEU A 78 93.126 14.391 28.141 0.40 20.59 H new ATOM 0 HD12BLEU A 78 91.577 14.355 28.472 0.40 20.59 H new ATOM 0 HD13BLEU A 78 92.598 14.958 29.522 0.40 20.59 H new ATOM 0 HD21BLEU A 78 94.696 12.830 29.344 0.40 22.84 H new ATOM 0 HD22BLEU A 78 94.194 13.378 30.742 0.40 22.84 H new ATOM 0 HD23BLEU A 78 94.126 11.827 30.429 0.40 22.84 H new ATOM 577 N BTHR A 79 89.253 11.275 32.314 0.40 16.05 N ATOM 578 CA BTHR A 79 88.348 11.451 33.440 0.40 16.42 C ATOM 579 C BTHR A 79 88.101 10.193 34.305 0.40 15.77 C ATOM 580 O BTHR A 79 87.916 10.308 35.507 0.40 14.71 O ATOM 581 CB BTHR A 79 86.977 12.012 32.979 0.40 17.67 C ATOM 582 OG1BTHR A 79 86.273 11.023 32.211 0.40 19.15 O ATOM 583 CG2BTHR A 79 87.183 13.260 32.120 0.40 18.69 C ATOM 0 H BTHR A 79 88.885 11.015 31.581 0.40 16.05 H new ATOM 0 HA BTHR A 79 88.815 12.085 34.006 0.40 16.42 H new ATOM 0 HB BTHR A 79 86.457 12.242 33.765 0.40 17.67 H new ATOM 0 HG1BTHR A 79 86.669 10.901 31.480 0.40 19.15 H new ATOM 0 HG21BTHR A 79 86.321 13.604 31.836 0.40 18.69 H new ATOM 0 HG22BTHR A 79 87.646 13.937 32.638 0.40 18.69 H new ATOM 0 HG23BTHR A 79 87.712 13.032 31.340 0.40 18.69 H new ATOM 584 N BTHR A 80 88.097 9.001 33.712 0.40 15.95 N ATOM 585 CA BTHR A 80 87.869 7.815 34.530 0.40 16.11 C ATOM 586 C BTHR A 80 88.959 7.633 35.590 0.40 15.58 C ATOM 587 O BTHR A 80 88.677 7.176 36.696 0.40 17.88 O ATOM 588 CB BTHR A 80 87.663 6.536 33.660 0.40 15.52 C ATOM 589 OG1BTHR A 80 88.772 6.339 32.771 0.40 14.91 O ATOM 590 CG2BTHR A 80 86.382 6.680 32.862 0.40 16.67 C ATOM 0 H BTHR A 80 88.219 8.860 32.872 0.40 15.95 H new ATOM 0 HA BTHR A 80 87.038 7.956 35.011 0.40 16.11 H new ATOM 0 HB BTHR A 80 87.603 5.764 34.244 0.40 15.52 H new ATOM 0 HG1BTHR A 80 88.758 6.927 32.171 0.40 14.91 H new ATOM 0 HG21BTHR A 80 86.248 5.888 32.319 0.40 16.67 H new ATOM 0 HG22BTHR A 80 85.633 6.786 33.469 0.40 16.67 H new ATOM 0 HG23BTHR A 80 86.444 7.459 32.287 0.40 16.67 H new ATOM 591 N BPRO A 81 90.224 7.975 35.280 0.40 15.44 N ATOM 592 CA BPRO A 81 91.183 7.787 36.373 0.40 14.11 C ATOM 593 C BPRO A 81 90.889 8.772 37.523 0.40 15.26 C ATOM 594 O BPRO A 81 91.209 8.498 38.676 0.40 16.82 O ATOM 595 CB BPRO A 81 92.545 8.032 35.706 0.40 15.72 C ATOM 596 CG BPRO A 81 92.203 8.800 34.433 0.40 16.83 C ATOM 597 CD BPRO A 81 90.914 8.167 33.994 0.40 14.67 C ATOM 0 HA BPRO A 81 91.143 6.909 36.784 0.40 14.11 H new ATOM 0 HB2BPRO A 81 93.135 8.544 36.281 0.40 15.72 H new ATOM 0 HB3BPRO A 81 92.997 7.198 35.506 0.40 15.72 H new ATOM 0 HG2BPRO A 81 92.098 9.749 34.603 0.40 16.83 H new ATOM 0 HG3BPRO A 81 92.896 8.708 33.761 0.40 16.83 H new ATOM 0 HD2BPRO A 81 90.412 8.740 33.393 0.40 14.67 H new ATOM 0 HD3BPRO A 81 91.060 7.328 33.530 0.40 14.67 H new ATOM 598 N BLEU A 82 90.269 9.908 37.213 0.40 13.97 N ATOM 599 CA BLEU A 82 89.926 10.879 38.265 0.40 16.38 C ATOM 600 C BLEU A 82 88.749 10.349 39.083 0.40 15.16 C ATOM 601 O BLEU A 82 88.638 10.616 40.289 0.40 14.19 O ATOM 602 CB BLEU A 82 89.562 12.232 37.658 0.40 16.09 C ATOM 603 CG BLEU A 82 90.678 12.938 36.880 0.40 17.63 C ATOM 604 CD1BLEU A 82 90.184 14.289 36.371 0.40 18.48 C ATOM 605 CD2BLEU A 82 91.877 13.127 37.777 0.40 19.71 C ATOM 0 H BLEU A 82 90.039 10.138 36.417 0.40 13.97 H new ATOM 0 HA BLEU A 82 90.698 10.999 38.839 0.40 16.38 H new ATOM 0 HB2BLEU A 82 88.806 12.107 37.064 0.40 16.09 H new ATOM 0 HB3BLEU A 82 89.268 12.819 38.372 0.40 16.09 H new ATOM 0 HG BLEU A 82 90.933 12.393 36.119 0.40 17.63 H new ATOM 0 HD11BLEU A 82 90.895 14.730 35.880 0.40 18.48 H new ATOM 0 HD12BLEU A 82 89.422 14.156 35.786 0.40 18.48 H new ATOM 0 HD13BLEU A 82 89.920 14.842 37.123 0.40 18.48 H new ATOM 0 HD21BLEU A 82 92.583 13.574 37.284 0.40 19.71 H new ATOM 0 HD22BLEU A 82 91.626 13.667 38.543 0.40 19.71 H new ATOM 0 HD23BLEU A 82 92.193 12.262 38.081 0.40 19.71 H new ATOM 606 N BILE A 83 87.861 9.607 38.423 0.40 15.12 N ATOM 607 CA BILE A 83 86.722 9.014 39.122 0.40 15.28 C ATOM 608 C BILE A 83 87.295 7.930 40.034 0.40 15.79 C ATOM 609 O BILE A 83 86.914 7.821 41.198 0.40 15.12 O ATOM 610 CB BILE A 83 85.693 8.398 38.135 0.40 16.28 C ATOM 611 CG1BILE A 83 84.971 9.530 37.385 0.40 17.91 C ATOM 612 CG2BILE A 83 84.689 7.510 38.901 0.40 15.66 C ATOM 613 CD1BILE A 83 84.255 9.103 36.106 0.40 19.99 C ATOM 0 H BILE A 83 87.898 9.436 37.581 0.40 15.12 H new ATOM 0 HA BILE A 83 86.245 9.694 39.623 0.40 15.28 H new ATOM 0 HB BILE A 83 86.152 7.839 37.489 0.40 16.28 H new ATOM 0 HG12BILE A 83 84.323 9.934 37.983 0.40 17.91 H new ATOM 0 HG13BILE A 83 85.619 10.217 37.163 0.40 17.91 H new ATOM 0 HG21BILE A 83 84.051 7.130 38.277 0.40 15.66 H new ATOM 0 HG22BILE A 83 85.166 6.795 39.350 0.40 15.66 H new ATOM 0 HG23BILE A 83 84.218 8.046 39.558 0.40 15.66 H new ATOM 0 HD11BILE A 83 83.830 9.874 35.700 0.40 19.99 H new ATOM 0 HD12BILE A 83 84.898 8.725 35.486 0.40 19.99 H new ATOM 0 HD13BILE A 83 83.582 8.438 36.318 0.40 19.99 H new ATOM 614 N BVAL A 84 88.224 7.143 39.504 0.40 16.36 N ATOM 615 CA BVAL A 84 88.868 6.098 40.308 0.40 17.57 C ATOM 616 C BVAL A 84 89.619 6.772 41.467 0.40 17.79 C ATOM 617 O BVAL A 84 89.602 6.288 42.606 0.40 17.52 O ATOM 618 CB BVAL A 84 89.874 5.257 39.465 0.40 17.99 C ATOM 619 CG1BVAL A 84 90.636 4.284 40.375 0.40 19.93 C ATOM 620 CG2BVAL A 84 89.122 4.466 38.397 0.40 20.46 C ATOM 0 H BVAL A 84 88.497 7.193 38.690 0.40 16.36 H new ATOM 0 HA BVAL A 84 88.183 5.496 40.638 0.40 17.57 H new ATOM 0 HB BVAL A 84 90.504 5.859 39.038 0.40 17.99 H new ATOM 0 HG11BVAL A 84 91.260 3.765 39.844 0.40 19.93 H new ATOM 0 HG12BVAL A 84 91.124 4.784 41.048 0.40 19.93 H new ATOM 0 HG13BVAL A 84 90.007 3.687 40.810 0.40 19.93 H new ATOM 0 HG21BVAL A 84 89.753 3.945 37.876 0.40 20.46 H new ATOM 0 HG22BVAL A 84 88.486 3.871 38.823 0.40 20.46 H new ATOM 0 HG23BVAL A 84 88.649 5.079 37.813 0.40 20.46 H new ATOM 621 N BTYR A 85 90.253 7.903 41.172 0.40 18.48 N ATOM 622 CA BTYR A 85 91.010 8.653 42.184 0.40 18.47 C ATOM 623 C BTYR A 85 90.073 9.100 43.329 0.40 17.75 C ATOM 624 O BTYR A 85 90.354 8.879 44.515 0.40 18.88 O ATOM 625 CB BTYR A 85 91.670 9.868 41.525 0.40 19.27 C ATOM 626 CG BTYR A 85 92.429 10.746 42.485 0.40 19.73 C ATOM 627 CD1BTYR A 85 93.563 10.271 43.144 0.40 22.17 C ATOM 628 CD2BTYR A 85 92.032 12.063 42.719 0.40 21.31 C ATOM 629 CE1BTYR A 85 94.286 11.086 44.006 0.40 24.55 C ATOM 630 CE2BTYR A 85 92.746 12.885 43.581 0.40 23.10 C ATOM 631 CZ BTYR A 85 93.873 12.394 44.218 0.40 24.39 C ATOM 632 OH BTYR A 85 94.604 13.212 45.051 0.40 26.24 O ATOM 0 H BTYR A 85 90.260 8.258 40.389 0.40 18.48 H new ATOM 0 HA BTYR A 85 91.698 8.083 42.561 0.40 18.47 H new ATOM 0 HB2BTYR A 85 92.277 9.560 40.834 0.40 19.27 H new ATOM 0 HB3BTYR A 85 90.986 10.398 41.087 0.40 19.27 H new ATOM 0 HD1BTYR A 85 93.840 9.394 43.004 0.40 22.17 H new ATOM 0 HD2BTYR A 85 91.277 12.396 42.291 0.40 21.31 H new ATOM 0 HE1BTYR A 85 95.041 10.758 44.438 0.40 24.55 H new ATOM 0 HE2BTYR A 85 92.469 13.760 43.730 0.40 23.10 H new ATOM 0 HH BTYR A 85 94.244 13.970 45.087 0.40 26.24 H new ATOM 633 N BPHE A 86 88.958 9.719 42.957 0.40 17.69 N ATOM 634 CA BPHE A 86 87.951 10.172 43.925 0.40 16.35 C ATOM 635 C BPHE A 86 87.550 8.979 44.831 0.40 16.19 C ATOM 636 O BPHE A 86 87.531 9.087 46.059 0.40 15.60 O ATOM 637 CB BPHE A 86 86.722 10.693 43.169 0.40 16.04 C ATOM 638 CG BPHE A 86 85.682 11.348 44.049 0.40 17.83 C ATOM 639 CD1BPHE A 86 85.529 12.739 44.054 0.40 18.57 C ATOM 640 CD2BPHE A 86 84.847 10.581 44.862 0.40 17.93 C ATOM 641 CE1BPHE A 86 84.557 13.354 44.855 0.40 17.83 C ATOM 642 CE2BPHE A 86 83.873 11.189 45.670 0.40 18.83 C ATOM 643 CZ BPHE A 86 83.728 12.579 45.666 0.40 17.75 C ATOM 0 H BPHE A 86 88.760 9.890 42.138 0.40 17.69 H new ATOM 0 HA BPHE A 86 88.312 10.885 44.474 0.40 16.35 H new ATOM 0 HB2BPHE A 86 87.014 11.332 42.500 0.40 16.04 H new ATOM 0 HB3BPHE A 86 86.310 9.954 42.694 0.40 16.04 H new ATOM 0 HD1BPHE A 86 86.080 13.263 43.518 0.40 18.57 H new ATOM 0 HD2BPHE A 86 84.937 9.655 44.869 0.40 17.93 H new ATOM 0 HE1BPHE A 86 84.465 14.279 44.846 0.40 17.83 H new ATOM 0 HE2BPHE A 86 83.324 10.666 46.208 0.40 18.83 H new ATOM 0 HZ BPHE A 86 83.084 12.984 46.200 0.40 17.75 H new ATOM 644 N BLEU A 87 87.235 7.846 44.216 0.40 17.45 N ATOM 645 CA BLEU A 87 86.846 6.647 44.977 0.40 18.78 C ATOM 646 C BLEU A 87 87.982 6.163 45.867 0.40 18.44 C ATOM 647 O BLEU A 87 87.750 5.794 47.016 0.40 18.79 O ATOM 648 CB BLEU A 87 86.412 5.527 44.022 0.40 17.43 C ATOM 649 CG BLEU A 87 85.135 5.852 43.246 0.40 18.82 C ATOM 650 CD1BLEU A 87 84.860 4.795 42.161 0.40 17.83 C ATOM 651 CD2BLEU A 87 83.975 5.924 44.236 0.40 20.05 C ATOM 0 H BLEU A 87 87.238 7.743 43.362 0.40 17.45 H new ATOM 0 HA BLEU A 87 86.098 6.887 45.547 0.40 18.78 H new ATOM 0 HB2BLEU A 87 87.129 5.352 43.393 0.40 17.43 H new ATOM 0 HB3BLEU A 87 86.275 4.712 44.530 0.40 17.43 H new ATOM 0 HG BLEU A 87 85.238 6.704 42.795 0.40 18.82 H new ATOM 0 HD11BLEU A 87 84.047 5.024 41.685 0.40 17.83 H new ATOM 0 HD12BLEU A 87 85.603 4.770 41.538 0.40 17.83 H new ATOM 0 HD13BLEU A 87 84.757 3.924 42.576 0.40 17.83 H new ATOM 0 HD21BLEU A 87 83.155 6.130 43.760 0.40 20.05 H new ATOM 0 HD22BLEU A 87 83.881 5.070 44.687 0.40 20.05 H new ATOM 0 HD23BLEU A 87 84.151 6.618 44.891 0.40 20.05 H new ATOM 652 N BGLY A 88 89.204 6.168 45.332 0.40 17.73 N ATOM 653 CA BGLY A 88 90.359 5.751 46.112 0.40 17.19 C ATOM 654 C BGLY A 88 90.555 6.642 47.332 0.40 18.17 C ATOM 655 O BGLY A 88 90.952 6.162 48.390 0.40 18.36 O ATOM 0 H BGLY A 88 89.380 6.408 44.525 0.40 17.73 H new ATOM 0 HA2BGLY A 88 90.245 4.831 46.396 0.40 17.19 H new ATOM 0 HA3BGLY A 88 91.154 5.780 45.557 0.40 17.19 H new ATOM 656 N BLEU A 89 90.273 7.939 47.187 0.40 17.79 N ATOM 657 CA BLEU A 89 90.393 8.891 48.294 0.40 18.85 C ATOM 658 C BLEU A 89 89.384 8.574 49.389 0.40 18.94 C ATOM 659 O BLEU A 89 89.681 8.684 50.577 0.40 18.57 O ATOM 660 CB BLEU A 89 90.145 10.327 47.810 0.40 20.19 C ATOM 661 CG BLEU A 89 91.303 11.105 47.190 0.40 20.77 C ATOM 662 CD1BLEU A 89 90.806 12.486 46.737 0.40 21.34 C ATOM 663 CD2BLEU A 89 92.420 11.258 48.214 0.40 22.87 C ATOM 0 H BLEU A 89 90.008 8.290 46.448 0.40 17.79 H new ATOM 0 HA BLEU A 89 91.294 8.814 48.644 0.40 18.85 H new ATOM 0 HB2BLEU A 89 89.428 10.297 47.157 0.40 20.19 H new ATOM 0 HB3BLEU A 89 89.818 10.839 48.566 0.40 20.19 H new ATOM 0 HG BLEU A 89 91.645 10.624 46.420 0.40 20.77 H new ATOM 0 HD11BLEU A 89 91.541 12.981 46.343 0.40 21.34 H new ATOM 0 HD12BLEU A 89 90.101 12.377 46.080 0.40 21.34 H new ATOM 0 HD13BLEU A 89 90.462 12.973 47.502 0.40 21.34 H new ATOM 0 HD21BLEU A 89 93.155 11.752 47.819 0.40 22.87 H new ATOM 0 HD22BLEU A 89 92.086 11.738 48.988 0.40 22.87 H new ATOM 0 HD23BLEU A 89 92.731 10.381 48.488 0.40 22.87 H new ATOM 664 N BLEU A 90 88.172 8.218 48.979 0.40 21.08 N ATOM 665 CA BLEU A 90 87.131 7.859 49.933 0.40 22.18 C ATOM 666 C BLEU A 90 87.514 6.559 50.617 0.40 21.80 C ATOM 667 O BLEU A 90 87.331 6.408 51.825 0.40 22.20 O ATOM 668 CB BLEU A 90 85.791 7.656 49.232 0.40 20.94 C ATOM 669 CG BLEU A 90 84.988 8.865 48.776 0.40 22.95 C ATOM 670 CD1BLEU A 90 83.676 8.363 48.180 0.40 20.20 C ATOM 671 CD2BLEU A 90 84.714 9.793 49.970 0.40 20.87 C ATOM 0 H BLEU A 90 87.932 8.178 48.154 0.40 21.08 H new ATOM 0 HA BLEU A 90 87.045 8.580 50.577 0.40 22.18 H new ATOM 0 HB2BLEU A 90 85.953 7.105 48.451 0.40 20.94 H new ATOM 0 HB3BLEU A 90 85.226 7.142 49.830 0.40 20.94 H new ATOM 0 HG BLEU A 90 85.483 9.369 48.111 0.40 22.95 H new ATOM 0 HD11BLEU A 90 83.146 9.119 47.882 0.40 20.20 H new ATOM 0 HD12BLEU A 90 83.864 7.782 47.426 0.40 20.20 H new ATOM 0 HD13BLEU A 90 83.183 7.868 48.853 0.40 20.20 H new ATOM 0 HD21BLEU A 90 84.202 10.561 49.672 0.40 20.87 H new ATOM 0 HD22BLEU A 90 84.211 9.312 50.645 0.40 20.87 H new ATOM 0 HD23BLEU A 90 85.556 10.093 50.347 0.40 20.87 H new ATOM 672 N BALA A 91 88.055 5.621 49.841 0.40 21.60 N ATOM 673 CA BALA A 91 88.454 4.325 50.399 0.40 22.72 C ATOM 674 C BALA A 91 89.708 4.434 51.260 0.40 23.50 C ATOM 675 O BALA A 91 89.994 3.538 52.058 0.40 25.07 O ATOM 676 CB BALA A 91 88.678 3.300 49.275 0.40 20.26 C ATOM 0 H BALA A 91 88.199 5.711 48.998 0.40 21.60 H new ATOM 0 HA BALA A 91 87.729 4.024 50.969 0.40 22.72 H new ATOM 0 HB1BALA A 91 88.941 2.449 49.660 0.40 20.26 H new ATOM 0 HB2BALA A 91 87.856 3.186 48.772 0.40 20.26 H new ATOM 0 HB3BALA A 91 89.378 3.617 48.683 0.40 20.26 H new ATOM 677 N BGLY A 92 90.458 5.521 51.090 0.40 23.41 N ATOM 678 CA BGLY A 92 91.675 5.709 51.864 0.40 23.49 C ATOM 679 C BGLY A 92 92.859 4.894 51.354 0.40 25.51 C ATOM 680 O BGLY A 92 93.639 4.354 52.141 0.40 24.75 O ATOM 0 H BGLY A 92 90.279 6.154 50.536 0.40 23.41 H new ATOM 0 HA2BGLY A 92 91.912 6.649 51.855 0.40 23.49 H new ATOM 0 HA3BGLY A 92 91.501 5.469 52.788 0.40 23.49 H new ATOM 681 N BLEU A 93 93.011 4.810 50.036 0.40 24.73 N ATOM 682 CA BLEU A 93 94.110 4.051 49.461 0.40 24.69 C ATOM 683 C BLEU A 93 95.474 4.699 49.675 0.40 26.46 C ATOM 684 O BLEU A 93 95.586 5.912 49.874 0.40 25.64 O ATOM 685 CB BLEU A 93 93.894 3.855 47.953 0.40 24.93 C ATOM 686 CG BLEU A 93 92.579 3.211 47.505 0.40 24.07 C ATOM 687 CD1BLEU A 93 92.650 2.887 46.013 0.40 23.91 C ATOM 688 CD2BLEU A 93 92.326 1.937 48.321 0.40 24.96 C ATOM 0 H BLEU A 93 92.491 5.184 49.462 0.40 24.73 H new ATOM 0 HA BLEU A 93 94.112 3.199 49.925 0.40 24.69 H new ATOM 0 HB2BLEU A 93 93.963 4.723 47.525 0.40 24.93 H new ATOM 0 HB3BLEU A 93 94.623 3.313 47.614 0.40 24.93 H new ATOM 0 HG BLEU A 93 91.845 3.827 47.655 0.40 24.07 H new ATOM 0 HD11BLEU A 93 91.817 2.479 45.730 0.40 23.91 H new ATOM 0 HD12BLEU A 93 92.796 3.704 45.511 0.40 23.91 H new ATOM 0 HD13BLEU A 93 93.382 2.272 45.850 0.40 23.91 H new ATOM 0 HD21BLEU A 93 91.493 1.530 48.036 0.40 24.96 H new ATOM 0 HD22BLEU A 93 93.055 1.312 48.181 0.40 24.96 H new ATOM 0 HD23BLEU A 93 92.270 2.162 49.263 0.40 24.96 H new ATOM 689 N BASP A 94 96.505 3.863 49.633 0.40 28.05 N ATOM 690 CA BASP A 94 97.885 4.300 49.751 0.40 31.49 C ATOM 691 C BASP A 94 98.416 4.398 48.319 0.40 32.26 C ATOM 692 O BASP A 94 97.724 4.027 47.367 0.40 32.00 O ATOM 693 CB BASP A 94 98.711 3.270 50.527 0.40 34.07 C ATOM 694 CG BASP A 94 98.741 1.915 49.841 0.40 36.05 C ATOM 695 OD1BASP A 94 99.020 1.872 48.626 0.40 36.48 O ATOM 696 OD2BASP A 94 98.493 0.893 50.515 0.40 38.95 O ATOM 0 H BASP A 94 96.418 3.013 49.534 0.40 28.05 H new ATOM 0 HA BASP A 94 97.944 5.144 50.225 0.40 31.49 H new ATOM 0 HB2BASP A 94 99.618 3.598 50.630 0.40 34.07 H new ATOM 0 HB3BASP A 94 98.343 3.170 51.419 0.40 34.07 H new ATOM 697 N BSER A 95 99.646 4.884 48.179 0.40 32.54 N ATOM 698 CA BSER A 95 100.298 5.048 46.884 0.40 33.06 C ATOM 699 C BSER A 95 100.278 3.789 46.008 0.40 32.65 C ATOM 700 O BSER A 95 99.958 3.851 44.817 0.40 31.76 O ATOM 701 CB BSER A 95 101.753 5.485 47.097 0.40 35.48 C ATOM 702 OG BSER A 95 102.420 5.667 45.860 0.40 38.40 O ATOM 0 H BSER A 95 100.132 5.131 48.844 0.40 32.54 H new ATOM 0 HA BSER A 95 99.789 5.724 46.410 0.40 33.06 H new ATOM 0 HB2BSER A 95 101.774 6.312 47.603 0.40 35.48 H new ATOM 0 HB3BSER A 95 102.220 4.818 47.624 0.40 35.48 H new ATOM 0 HG BSER A 95 103.213 5.907 46.001 0.40 38.40 H new ATOM 703 N BARG A 96 100.631 2.655 46.603 0.40 31.81 N ATOM 704 CA BARG A 96 100.676 1.387 45.886 0.40 30.68 C ATOM 705 C BARG A 96 99.305 1.012 45.319 0.40 29.52 C ATOM 706 O BARG A 96 99.166 0.737 44.127 0.40 28.19 O ATOM 707 CB BARG A 96 101.171 0.288 46.829 0.40 31.17 C ATOM 708 CG BARG A 96 101.112 -1.113 46.255 0.40 31.83 C ATOM 709 CD BARG A 96 101.919 -1.222 44.980 0.40 33.04 C ATOM 710 NE BARG A 96 101.951 -2.599 44.507 0.40 33.46 N ATOM 711 CZ BARG A 96 102.360 -2.972 43.300 0.40 32.62 C ATOM 712 NH1BARG A 96 102.777 -2.068 42.423 0.40 32.82 N ATOM 713 NH2BARG A 96 102.346 -4.254 42.976 0.40 31.72 N ATOM 0 H BARG A 96 100.851 2.599 47.433 0.40 31.81 H new ATOM 0 HA BARG A 96 101.287 1.481 45.139 0.40 30.68 H new ATOM 0 HB2BARG A 96 102.087 0.483 47.080 0.40 31.17 H new ATOM 0 HB3BARG A 96 100.642 0.314 47.642 0.40 31.17 H new ATOM 0 HG2BARG A 96 101.449 -1.746 46.908 0.40 31.83 H new ATOM 0 HG3BARG A 96 100.189 -1.353 46.077 0.40 31.83 H new ATOM 0 HD2BARG A 96 101.534 -0.650 44.298 0.40 33.04 H new ATOM 0 HD3BARG A 96 102.823 -0.908 45.136 0.40 33.04 H new ATOM 0 HE BARG A 96 101.686 -3.214 45.047 0.40 33.46 H new ATOM 0 HH11BARG A 96 102.784 -1.235 42.635 0.40 32.82 H new ATOM 0 HH12BARG A 96 103.041 -2.316 41.643 0.40 32.82 H new ATOM 0 HH21BARG A 96 102.074 -4.838 43.545 0.40 31.72 H new ATOM 0 HH22BARG A 96 102.609 -4.503 42.196 0.40 31.72 H new ATOM 714 N BGLU A 97 98.302 1.010 46.189 0.40 27.66 N ATOM 715 CA BGLU A 97 96.945 0.656 45.810 0.40 27.32 C ATOM 716 C BGLU A 97 96.390 1.558 44.714 0.40 25.50 C ATOM 717 O BGLU A 97 95.728 1.060 43.801 0.40 24.14 O ATOM 718 CB BGLU A 97 96.047 0.671 47.055 0.40 30.68 C ATOM 719 CG BGLU A 97 96.301 -0.516 48.000 0.40 33.71 C ATOM 720 CD BGLU A 97 96.151 -0.156 49.480 0.40 35.98 C ATOM 721 OE1BGLU A 97 95.286 0.686 49.817 0.40 35.00 O ATOM 722 OE2BGLU A 97 96.897 -0.728 50.306 0.40 37.28 O ATOM 0 H BGLU A 97 98.392 1.215 47.019 0.40 27.66 H new ATOM 0 HA BGLU A 97 96.961 -0.239 45.436 0.40 27.32 H new ATOM 0 HB2BGLU A 97 96.190 1.499 47.540 0.40 30.68 H new ATOM 0 HB3BGLU A 97 95.118 0.662 46.777 0.40 30.68 H new ATOM 0 HG2BGLU A 97 95.683 -1.231 47.784 0.40 33.71 H new ATOM 0 HG3BGLU A 97 97.196 -0.858 47.846 0.40 33.71 H new ATOM 723 N BPHE A 98 96.649 2.866 44.802 0.40 22.33 N ATOM 724 CA BPHE A 98 96.195 3.811 43.780 0.40 22.40 C ATOM 725 C BPHE A 98 96.860 3.443 42.452 0.40 22.37 C ATOM 726 O BPHE A 98 96.245 3.522 41.388 0.40 21.39 O ATOM 727 CB BPHE A 98 96.611 5.251 44.124 0.40 22.31 C ATOM 728 CG BPHE A 98 95.562 6.053 44.851 0.40 22.53 C ATOM 729 CD1BPHE A 98 94.278 6.193 44.328 0.40 22.02 C ATOM 730 CD2BPHE A 98 95.886 6.740 46.018 0.40 23.12 C ATOM 731 CE1BPHE A 98 93.336 7.014 44.958 0.40 21.40 C ATOM 732 CE2BPHE A 98 94.953 7.560 46.650 0.40 23.24 C ATOM 733 CZ BPHE A 98 93.677 7.698 46.116 0.40 21.12 C ATOM 0 H BPHE A 98 97.088 3.226 45.448 0.40 22.33 H new ATOM 0 HA BPHE A 98 95.228 3.763 43.729 0.40 22.40 H new ATOM 0 HB2BPHE A 98 97.413 5.222 44.669 0.40 22.31 H new ATOM 0 HB3BPHE A 98 96.842 5.713 43.303 0.40 22.31 H new ATOM 0 HD1BPHE A 98 94.045 5.736 43.552 0.40 22.02 H new ATOM 0 HD2BPHE A 98 96.738 6.650 46.381 0.40 23.12 H new ATOM 0 HE1BPHE A 98 92.482 7.101 44.601 0.40 21.40 H new ATOM 0 HE2BPHE A 98 95.184 8.014 47.428 0.40 23.24 H new ATOM 0 HZ BPHE A 98 93.054 8.247 46.534 0.40 21.12 H new ATOM 734 N BGLY A 99 98.133 3.065 42.529 0.40 22.16 N ATOM 735 CA BGLY A 99 98.877 2.711 41.334 0.40 22.71 C ATOM 736 C BGLY A 99 98.235 1.570 40.584 0.40 20.98 C ATOM 737 O BGLY A 99 98.094 1.617 39.367 0.40 21.28 O ATOM 0 H BGLY A 99 98.579 3.008 43.262 0.40 22.16 H new ATOM 0 HA2BGLY A 99 98.939 3.485 40.752 0.40 22.71 H new ATOM 0 HA3BGLY A 99 99.783 2.466 41.579 0.40 22.71 H new ATOM 738 N BILE A 100 97.846 0.539 41.320 0.40 20.05 N ATOM 739 CA BILE A 100 97.203 -0.631 40.733 0.40 20.67 C ATOM 740 C BILE A 100 95.864 -0.313 40.046 0.40 20.53 C ATOM 741 O BILE A 100 95.632 -0.721 38.901 0.40 19.25 O ATOM 742 CB BILE A 100 96.936 -1.708 41.809 0.40 21.26 C ATOM 743 CG1BILE A 100 98.265 -2.252 42.345 0.40 24.08 C ATOM 744 CG2BILE A 100 96.085 -2.826 41.225 0.40 20.60 C ATOM 745 CD1BILE A 100 98.131 -3.022 43.658 0.40 24.52 C ATOM 0 H BILE A 100 97.946 0.496 42.173 0.40 20.05 H new ATOM 0 HA BILE A 100 97.824 -0.953 40.061 0.40 20.67 H new ATOM 0 HB BILE A 100 96.450 -1.310 42.548 0.40 21.26 H new ATOM 0 HG12BILE A 100 98.659 -2.834 41.677 0.40 24.08 H new ATOM 0 HG13BILE A 100 98.879 -1.512 42.475 0.40 24.08 H new ATOM 0 HG21BILE A 100 95.922 -3.498 41.905 0.40 20.60 H new ATOM 0 HG22BILE A 100 95.239 -2.463 40.920 0.40 20.60 H new ATOM 0 HG23BILE A 100 96.551 -3.231 40.477 0.40 20.60 H new ATOM 0 HD11BILE A 100 99.004 -3.337 43.939 0.40 24.52 H new ATOM 0 HD12BILE A 100 97.763 -2.438 44.340 0.40 24.52 H new ATOM 0 HD13BILE A 100 97.540 -3.781 43.530 0.40 24.52 H new ATOM 746 N BVAL A 101 94.978 0.410 40.726 0.40 20.30 N ATOM 747 CA BVAL A 101 93.684 0.681 40.099 0.40 20.16 C ATOM 748 C BVAL A 101 93.761 1.678 38.945 0.40 19.59 C ATOM 749 O BVAL A 101 92.971 1.600 38.004 0.40 17.92 O ATOM 750 CB BVAL A 101 92.611 1.125 41.141 0.40 20.89 C ATOM 751 CG1BVAL A 101 92.326 -0.033 42.083 0.40 22.88 C ATOM 752 CG2BVAL A 101 93.072 2.348 41.917 0.40 17.11 C ATOM 0 H BVAL A 101 95.094 0.739 41.512 0.40 20.30 H new ATOM 0 HA BVAL A 101 93.406 -0.166 39.716 0.40 20.16 H new ATOM 0 HB BVAL A 101 91.798 1.370 40.673 0.40 20.89 H new ATOM 0 HG11BVAL A 101 91.659 0.236 42.734 0.40 22.88 H new ATOM 0 HG12BVAL A 101 91.994 -0.790 41.575 0.40 22.88 H new ATOM 0 HG13BVAL A 101 93.142 -0.285 42.542 0.40 22.88 H new ATOM 0 HG21BVAL A 101 92.388 2.602 42.556 0.40 17.11 H new ATOM 0 HG22BVAL A 101 93.894 2.141 42.388 0.40 17.11 H new ATOM 0 HG23BVAL A 101 93.228 3.082 41.302 0.40 17.11 H new ATOM 753 N BILE A 102 94.714 2.604 39.005 0.40 19.44 N ATOM 754 CA BILE A 102 94.868 3.564 37.921 0.40 20.30 C ATOM 755 C BILE A 102 95.459 2.834 36.713 0.40 19.05 C ATOM 756 O BILE A 102 95.126 3.137 35.580 0.40 19.56 O ATOM 757 CB BILE A 102 95.801 4.728 38.297 0.40 21.36 C ATOM 758 CG1BILE A 102 95.186 5.551 39.428 0.40 24.13 C ATOM 759 CG2BILE A 102 96.034 5.611 37.069 0.40 22.08 C ATOM 760 CD1BILE A 102 93.785 6.017 39.143 0.40 23.73 C ATOM 0 H BILE A 102 95.272 2.692 39.653 0.40 19.44 H new ATOM 0 HA BILE A 102 93.995 3.938 37.725 0.40 20.30 H new ATOM 0 HB BILE A 102 96.651 4.372 38.601 0.40 21.36 H new ATOM 0 HG12BILE A 102 95.183 5.019 40.239 0.40 24.13 H new ATOM 0 HG13BILE A 102 95.747 6.324 39.597 0.40 24.13 H new ATOM 0 HG21BILE A 102 96.622 6.345 37.305 0.40 22.08 H new ATOM 0 HG22BILE A 102 96.442 5.084 36.364 0.40 22.08 H new ATOM 0 HG23BILE A 102 95.186 5.964 36.758 0.40 22.08 H new ATOM 0 HD11BILE A 102 93.455 6.531 39.897 0.40 23.73 H new ATOM 0 HD12BILE A 102 93.784 6.573 38.348 0.40 23.73 H new ATOM 0 HD13BILE A 102 93.211 5.248 39.000 0.40 23.73 H new ATOM 761 N BTHR A 103 96.336 1.867 36.970 0.40 17.48 N ATOM 762 CA BTHR A 103 96.944 1.088 35.897 0.40 17.11 C ATOM 763 C BTHR A 103 95.870 0.258 35.194 0.40 16.49 C ATOM 764 O BTHR A 103 95.773 0.248 33.956 0.40 16.39 O ATOM 765 CB BTHR A 103 98.049 0.170 36.464 0.40 14.92 C ATOM 766 OG1BTHR A 103 99.091 0.996 37.000 0.40 18.57 O ATOM 767 CG2BTHR A 103 98.628 -0.742 35.382 0.40 17.36 C ATOM 0 H BTHR A 103 96.592 1.647 37.761 0.40 17.48 H new ATOM 0 HA BTHR A 103 97.348 1.692 35.254 0.40 17.11 H new ATOM 0 HB BTHR A 103 97.665 -0.395 37.153 0.40 14.92 H new ATOM 0 HG1BTHR A 103 98.874 1.257 37.768 0.40 18.57 H new ATOM 0 HG21BTHR A 103 99.317 -1.305 35.768 0.40 17.36 H new ATOM 0 HG22BTHR A 103 97.923 -1.299 35.017 0.40 17.36 H new ATOM 0 HG23BTHR A 103 99.011 -0.201 34.674 0.40 17.36 H new ATOM 768 N BLEU A 104 95.044 -0.423 35.978 0.40 16.16 N ATOM 769 CA BLEU A 104 93.980 -1.237 35.395 0.40 17.89 C ATOM 770 C BLEU A 104 93.070 -0.350 34.563 0.40 17.60 C ATOM 771 O BLEU A 104 92.755 -0.651 33.412 0.40 14.55 O ATOM 772 CB BLEU A 104 93.152 -1.925 36.491 0.40 18.49 C ATOM 773 CG BLEU A 104 93.868 -3.057 37.245 0.40 22.60 C ATOM 774 CD1BLEU A 104 93.073 -3.448 38.489 0.40 22.18 C ATOM 775 CD2BLEU A 104 94.061 -4.249 36.310 0.40 24.18 C ATOM 0 H BLEU A 104 95.079 -0.430 36.837 0.40 16.16 H new ATOM 0 HA BLEU A 104 94.384 -1.921 34.838 0.40 17.89 H new ATOM 0 HB2BLEU A 104 92.874 -1.254 37.134 0.40 18.49 H new ATOM 0 HB3BLEU A 104 92.346 -2.284 36.089 0.40 18.49 H new ATOM 0 HG BLEU A 104 94.741 -2.752 37.538 0.40 22.60 H new ATOM 0 HD11BLEU A 104 93.534 -4.162 38.956 0.40 22.18 H new ATOM 0 HD12BLEU A 104 92.990 -2.680 39.075 0.40 22.18 H new ATOM 0 HD13BLEU A 104 92.190 -3.751 38.227 0.40 22.18 H new ATOM 0 HD21BLEU A 104 94.513 -4.964 36.785 0.40 24.18 H new ATOM 0 HD22BLEU A 104 93.196 -4.562 36.002 0.40 24.18 H new ATOM 0 HD23BLEU A 104 94.597 -3.979 35.548 0.40 24.18 H new ATOM 776 N BASN A 105 92.637 0.746 35.171 0.40 16.91 N ATOM 777 CA BASN A 105 91.752 1.686 34.499 0.40 17.71 C ATOM 778 C BASN A 105 92.308 2.159 33.174 0.40 16.60 C ATOM 779 O BASN A 105 91.593 2.228 32.170 0.40 18.05 O ATOM 780 CB BASN A 105 91.521 2.902 35.405 0.40 19.64 C ATOM 781 CG BASN A 105 90.618 3.934 34.772 0.40 22.90 C ATOM 782 OD1BASN A 105 89.355 3.913 35.153 0.40 23.56 O flip ATOM 783 ND2BASN A 105 91.048 4.732 33.941 0.40 22.30 N flip ATOM 0 H BASN A 105 92.845 0.965 35.976 0.40 16.91 H new ATOM 0 HA BASN A 105 90.919 1.222 34.321 0.40 17.71 H new ATOM 0 HB2BASN A 105 91.132 2.607 36.243 0.40 19.64 H new ATOM 0 HB3BASN A 105 92.375 3.310 35.617 0.40 19.64 H new ATOM 0 HD21BASN A 105 91.878 4.715 33.718 0.40 22.30 H new ATOM 0 HD22BASN A 105 90.518 5.307 33.583 0.40 22.30 H new ATOM 784 N BTHR A 106 93.597 2.484 33.166 0.40 16.61 N ATOM 785 CA BTHR A 106 94.214 3.005 31.966 0.40 15.53 C ATOM 786 C BTHR A 106 94.287 1.997 30.829 0.40 15.97 C ATOM 787 O BTHR A 106 94.175 2.368 29.669 0.40 14.20 O ATOM 788 CB BTHR A 106 95.601 3.588 32.302 0.40 17.11 C ATOM 789 OG1BTHR A 106 95.435 4.593 33.316 0.40 18.57 O ATOM 790 CG2BTHR A 106 96.223 4.236 31.081 0.40 19.88 C ATOM 0 H BTHR A 106 94.123 2.409 33.842 0.40 16.61 H new ATOM 0 HA BTHR A 106 93.641 3.714 31.636 0.40 15.53 H new ATOM 0 HB BTHR A 106 96.180 2.872 32.606 0.40 17.11 H new ATOM 0 HG1BTHR A 106 95.316 4.223 34.061 0.40 18.57 H new ATOM 0 HG21BTHR A 106 97.093 4.596 31.313 0.40 19.88 H new ATOM 0 HG22BTHR A 106 96.324 3.574 30.379 0.40 19.88 H new ATOM 0 HG23BTHR A 106 95.650 4.953 30.768 0.40 19.88 H new ATOM 791 N BVAL A 107 94.452 0.723 31.162 0.40 14.96 N ATOM 792 CA BVAL A 107 94.496 -0.311 30.137 0.40 15.74 C ATOM 793 C BVAL A 107 93.115 -0.403 29.496 0.40 14.45 C ATOM 794 O BVAL A 107 92.987 -0.489 28.270 0.40 15.95 O ATOM 795 CB BVAL A 107 94.871 -1.681 30.744 0.40 15.57 C ATOM 796 CG1BVAL A 107 94.727 -2.787 29.678 0.40 15.72 C ATOM 797 CG2BVAL A 107 96.315 -1.635 31.264 0.40 17.37 C ATOM 0 H BVAL A 107 94.540 0.438 31.969 0.40 14.96 H new ATOM 0 HA BVAL A 107 95.170 -0.080 29.479 0.40 15.74 H new ATOM 0 HB BVAL A 107 94.273 -1.879 31.482 0.40 15.57 H new ATOM 0 HG11BVAL A 107 94.964 -3.644 30.066 0.40 15.72 H new ATOM 0 HG12BVAL A 107 93.810 -2.817 29.365 0.40 15.72 H new ATOM 0 HG13BVAL A 107 95.317 -2.596 28.932 0.40 15.72 H new ATOM 0 HG21BVAL A 107 96.550 -2.496 31.645 0.40 17.37 H new ATOM 0 HG22BVAL A 107 96.917 -1.432 30.531 0.40 17.37 H new ATOM 0 HG23BVAL A 107 96.392 -0.949 31.945 0.40 17.37 H new ATOM 798 N BVAL A 108 92.082 -0.390 30.329 0.40 13.00 N ATOM 799 CA BVAL A 108 90.706 -0.445 29.832 0.40 14.32 C ATOM 800 C BVAL A 108 90.488 0.659 28.779 0.40 14.68 C ATOM 801 O BVAL A 108 90.056 0.401 27.654 0.40 13.31 O ATOM 802 CB BVAL A 108 89.660 -0.204 30.984 0.40 12.62 C ATOM 803 CG1BVAL A 108 88.236 -0.127 30.400 0.40 12.69 C ATOM 804 CG2BVAL A 108 89.736 -1.310 32.037 0.40 12.63 C ATOM 0 H BVAL A 108 92.152 -0.350 31.185 0.40 13.00 H new ATOM 0 HA BVAL A 108 90.575 -1.329 29.454 0.40 14.32 H new ATOM 0 HB BVAL A 108 89.874 0.639 31.414 0.40 12.62 H new ATOM 0 HG11BVAL A 108 87.600 0.021 31.117 0.40 12.69 H new ATOM 0 HG12BVAL A 108 88.185 0.606 29.766 0.40 12.69 H new ATOM 0 HG13BVAL A 108 88.026 -0.960 29.949 0.40 12.69 H new ATOM 0 HG21BVAL A 108 89.083 -1.139 32.734 0.40 12.63 H new ATOM 0 HG22BVAL A 108 89.548 -2.166 31.622 0.40 12.63 H new ATOM 0 HG23BVAL A 108 90.625 -1.328 32.424 0.40 12.63 H new ATOM 805 N BMET A 109 90.810 1.895 29.152 0.40 14.28 N ATOM 806 CA BMET A 109 90.583 3.027 28.256 0.40 15.64 C ATOM 807 C BMET A 109 91.441 3.105 27.001 0.40 15.30 C ATOM 808 O BMET A 109 90.952 3.495 25.949 0.40 16.89 O ATOM 809 CB BMET A 109 90.687 4.341 29.049 0.40 14.00 C ATOM 810 CG BMET A 109 89.760 4.413 30.243 0.40 14.49 C ATOM 811 SD BMET A 109 87.994 3.953 29.937 0.40 17.20 S ATOM 812 CE BMET A 109 87.607 3.176 31.530 0.40 15.91 C ATOM 0 H BMET A 109 91.158 2.099 29.912 0.40 14.28 H new ATOM 0 HA BMET A 109 89.689 2.878 27.910 0.40 15.64 H new ATOM 0 HB2BMET A 109 91.601 4.453 29.353 0.40 14.00 H new ATOM 0 HB3BMET A 109 90.493 5.083 28.455 0.40 14.00 H new ATOM 0 HG2BMET A 109 90.110 3.832 30.936 0.40 14.49 H new ATOM 0 HG3BMET A 109 89.783 5.318 30.593 0.40 14.49 H new ATOM 0 HE1BMET A 109 86.718 2.789 31.494 0.40 15.91 H new ATOM 0 HE2BMET A 109 88.256 2.479 31.717 0.40 15.91 H new ATOM 0 HE3BMET A 109 87.640 3.844 32.233 0.40 15.91 H new ATOM 813 N BLEU A 110 92.721 2.773 27.107 0.40 16.94 N ATOM 814 CA BLEU A 110 93.603 2.786 25.950 0.40 17.94 C ATOM 815 C BLEU A 110 93.193 1.665 24.997 0.40 18.79 C ATOM 816 O BLEU A 110 93.287 1.792 23.774 0.40 18.82 O ATOM 817 CB BLEU A 110 95.061 2.568 26.387 0.40 20.86 C ATOM 818 CG BLEU A 110 95.778 3.643 27.215 0.40 23.11 C ATOM 819 CD1BLEU A 110 97.211 3.156 27.494 0.40 23.03 C ATOM 820 CD2BLEU A 110 95.809 4.991 26.478 0.40 22.45 C ATOM 0 H BLEU A 110 93.099 2.537 27.842 0.40 16.94 H new ATOM 0 HA BLEU A 110 93.531 3.646 25.507 0.40 17.94 H new ATOM 0 HB2BLEU A 110 95.090 1.743 26.897 0.40 20.86 H new ATOM 0 HB3BLEU A 110 95.585 2.424 25.584 0.40 20.86 H new ATOM 0 HG BLEU A 110 95.298 3.782 28.046 0.40 23.11 H new ATOM 0 HD11BLEU A 110 97.683 3.822 28.017 0.40 23.03 H new ATOM 0 HD12BLEU A 110 97.179 2.321 27.987 0.40 23.03 H new ATOM 0 HD13BLEU A 110 97.675 3.017 26.654 0.40 23.03 H new ATOM 0 HD21BLEU A 110 96.267 5.648 27.025 0.40 22.45 H new ATOM 0 HD22BLEU A 110 96.278 4.888 25.635 0.40 22.45 H new ATOM 0 HD23BLEU A 110 94.901 5.288 26.308 0.40 22.45 H new ATOM 821 N BALA A 111 92.743 0.557 25.574 0.40 19.03 N ATOM 822 CA BALA A 111 92.305 -0.582 24.793 0.40 19.28 C ATOM 823 C BALA A 111 91.072 -0.206 23.970 0.40 20.91 C ATOM 824 O BALA A 111 90.985 -0.534 22.785 0.40 20.08 O ATOM 825 CB BALA A 111 91.980 -1.745 25.719 0.40 20.39 C ATOM 0 H BALA A 111 92.685 0.448 26.425 0.40 19.03 H new ATOM 0 HA BALA A 111 93.016 -0.847 24.189 0.40 19.28 H new ATOM 0 HB1BALA A 111 91.687 -2.506 25.193 0.40 20.39 H new ATOM 0 HB2BALA A 111 92.772 -1.987 26.224 0.40 20.39 H new ATOM 0 HB3BALA A 111 91.274 -1.484 26.331 0.40 20.39 H new ATOM 826 N BGLY A 112 90.122 0.484 24.596 0.40 21.73 N ATOM 827 CA BGLY A 112 88.915 0.887 23.889 0.40 20.48 C ATOM 828 C BGLY A 112 89.183 1.961 22.845 0.40 21.08 C ATOM 829 O BGLY A 112 88.560 1.983 21.785 0.40 21.39 O ATOM 0 H BGLY A 112 90.158 0.726 25.421 0.40 21.73 H new ATOM 0 HA2BGLY A 112 88.522 0.112 23.458 0.40 20.48 H new ATOM 0 HA3BGLY A 112 88.264 1.217 24.528 0.40 20.48 H new ATOM 830 N BPHE A 113 90.114 2.859 23.134 0.40 20.79 N ATOM 831 CA BPHE A 113 90.451 3.919 22.181 0.40 20.73 C ATOM 832 C BPHE A 113 91.161 3.294 20.978 0.40 20.44 C ATOM 833 O BPHE A 113 90.865 3.617 19.824 0.40 19.12 O ATOM 834 CB BPHE A 113 91.357 4.957 22.859 0.40 22.83 C ATOM 835 CG BPHE A 113 91.781 6.096 21.957 0.40 28.47 C ATOM 836 CD1BPHE A 113 91.063 6.414 20.809 0.40 30.04 C ATOM 837 CD2BPHE A 113 92.886 6.869 22.282 0.40 32.47 C ATOM 838 CE1BPHE A 113 91.440 7.485 20.000 0.40 32.27 C ATOM 839 CE2BPHE A 113 93.274 7.943 21.481 0.40 35.03 C ATOM 840 CZ BPHE A 113 92.547 8.251 20.337 0.40 33.65 C ATOM 0 H BPHE A 113 90.561 2.877 23.868 0.40 20.79 H new ATOM 0 HA BPHE A 113 89.644 4.366 21.881 0.40 20.73 H new ATOM 0 HB2BPHE A 113 90.893 5.323 23.628 0.40 22.83 H new ATOM 0 HB3BPHE A 113 92.150 4.510 23.193 0.40 22.83 H new ATOM 0 HD1BPHE A 113 90.320 5.904 20.578 0.40 30.04 H new ATOM 0 HD2BPHE A 113 93.376 6.668 23.046 0.40 32.47 H new ATOM 0 HE1BPHE A 113 90.950 7.686 19.235 0.40 32.27 H new ATOM 0 HE2BPHE A 113 94.017 8.452 21.712 0.40 35.03 H new ATOM 0 HZ BPHE A 113 92.801 8.967 19.800 0.40 33.65 H new ATOM 841 N BALA A 114 92.093 2.385 21.260 0.40 19.13 N ATOM 842 CA BALA A 114 92.852 1.712 20.215 0.40 18.78 C ATOM 843 C BALA A 114 91.950 0.811 19.371 0.40 18.84 C ATOM 844 O BALA A 114 92.057 0.786 18.146 0.40 19.60 O ATOM 845 CB BALA A 114 93.997 0.890 20.845 0.40 18.55 C ATOM 0 H BALA A 114 92.300 2.144 22.059 0.40 19.13 H new ATOM 0 HA BALA A 114 93.230 2.386 19.629 0.40 18.78 H new ATOM 0 HB1BALA A 114 94.499 0.444 20.145 0.40 18.55 H new ATOM 0 HB2BALA A 114 94.587 1.481 21.338 0.40 18.55 H new ATOM 0 HB3BALA A 114 93.626 0.227 21.448 0.40 18.55 H new ATOM 846 N BGLY A 115 91.051 0.079 20.023 0.40 18.33 N ATOM 847 CA BGLY A 115 90.155 -0.806 19.289 0.40 19.48 C ATOM 848 C BGLY A 115 89.236 -0.050 18.333 0.40 19.41 C ATOM 849 O BGLY A 115 88.932 -0.516 17.224 0.40 18.46 O ATOM 0 H BGLY A 115 90.945 0.080 20.876 0.40 18.33 H new ATOM 0 HA2BGLY A 115 90.680 -1.448 18.787 0.40 19.48 H new ATOM 0 HA3BGLY A 115 89.617 -1.310 19.919 0.40 19.48 H new ATOM 850 N BALA A 116 88.797 1.129 18.755 0.40 19.22 N ATOM 851 CA BALA A 116 87.901 1.943 17.934 0.40 21.77 C ATOM 852 C BALA A 116 88.581 2.485 16.673 0.40 24.42 C ATOM 853 O BALA A 116 87.937 2.695 15.644 0.40 25.55 O ATOM 854 CB BALA A 116 87.346 3.116 18.778 0.40 20.13 C ATOM 0 H BALA A 116 89.004 1.478 19.513 0.40 19.22 H new ATOM 0 HA BALA A 116 87.177 1.368 17.640 0.40 21.77 H new ATOM 0 HB1BALA A 116 86.752 3.655 18.232 0.40 20.13 H new ATOM 0 HB2BALA A 116 86.856 2.765 19.538 0.40 20.13 H new ATOM 0 HB3BALA A 116 88.081 3.664 19.093 0.40 20.13 H new ATOM 855 N BMET A 117 89.886 2.719 16.757 0.40 27.67 N ATOM 856 CA BMET A 117 90.629 3.264 15.632 0.40 29.88 C ATOM 857 C BMET A 117 91.134 2.215 14.655 0.40 30.99 C ATOM 858 O BMET A 117 91.592 2.550 13.570 0.40 31.23 O ATOM 859 CB BMET A 117 91.810 4.095 16.140 0.40 32.18 C ATOM 860 CG BMET A 117 91.403 5.291 16.993 0.40 34.41 C ATOM 861 SD BMET A 117 90.362 6.459 16.080 0.40 39.38 S ATOM 862 CE BMET A 117 91.618 7.581 15.469 0.40 38.61 C ATOM 0 H BMET A 117 90.359 2.568 17.459 0.40 27.67 H new ATOM 0 HA BMET A 117 90.001 3.817 15.142 0.40 29.88 H new ATOM 0 HB2BMET A 117 92.397 3.523 16.660 0.40 32.18 H new ATOM 0 HB3BMET A 117 92.323 4.411 15.379 0.40 32.18 H new ATOM 0 HG2BMET A 117 90.925 4.979 17.778 0.40 34.41 H new ATOM 0 HG3BMET A 117 92.199 5.747 17.308 0.40 34.41 H new ATOM 0 HE1BMET A 117 91.218 8.206 14.845 0.40 38.61 H new ATOM 0 HE2BMET A 117 92.005 8.070 16.212 0.40 38.61 H new ATOM 0 HE3BMET A 117 92.313 7.075 15.019 0.40 38.61 H new ATOM 863 N BVAL A 118 91.043 0.949 15.031 0.40 31.55 N ATOM 864 CA BVAL A 118 91.521 -0.120 14.169 0.40 32.92 C ATOM 865 C BVAL A 118 90.423 -0.897 13.462 0.40 34.67 C ATOM 866 O BVAL A 118 89.545 -1.478 14.102 0.40 34.06 O ATOM 867 CB BVAL A 118 92.389 -1.133 14.967 0.40 32.82 C ATOM 868 CG1BVAL A 118 92.488 -2.456 14.214 0.40 33.52 C ATOM 869 CG2BVAL A 118 93.778 -0.553 15.201 0.40 33.22 C ATOM 0 H BVAL A 118 90.709 0.687 15.779 0.40 31.55 H new ATOM 0 HA BVAL A 118 92.044 0.334 13.489 0.40 32.92 H new ATOM 0 HB BVAL A 118 91.968 -1.299 15.825 0.40 32.82 H new ATOM 0 HG11BVAL A 118 93.032 -3.078 14.722 0.40 33.52 H new ATOM 0 HG12BVAL A 118 91.600 -2.827 14.093 0.40 33.52 H new ATOM 0 HG13BVAL A 118 92.895 -2.305 13.347 0.40 33.52 H new ATOM 0 HG21BVAL A 118 94.315 -1.189 15.699 0.40 33.22 H new ATOM 0 HG22BVAL A 118 94.201 -0.372 14.347 0.40 33.22 H new ATOM 0 HG23BVAL A 118 93.704 0.272 15.706 0.40 33.22 H new ATOM 870 N BPRO A 119 90.449 -0.903 12.121 0.40 36.13 N ATOM 871 CA BPRO A 119 89.434 -1.644 11.373 0.40 37.88 C ATOM 872 C BPRO A 119 89.877 -3.107 11.416 0.40 38.22 C ATOM 873 O BPRO A 119 91.044 -3.392 11.682 0.40 39.51 O ATOM 874 CB BPRO A 119 89.536 -1.039 9.976 0.40 38.39 C ATOM 875 CG BPRO A 119 91.006 -0.760 9.857 0.40 37.97 C ATOM 876 CD BPRO A 119 91.326 -0.144 11.210 0.40 37.59 C ATOM 0 HA BPRO A 119 88.522 -1.598 11.699 0.40 37.88 H new ATOM 0 HB2BPRO A 119 89.227 -1.653 9.292 0.40 38.39 H new ATOM 0 HB3BPRO A 119 89.006 -0.231 9.892 0.40 38.39 H new ATOM 0 HG2BPRO A 119 91.517 -1.569 9.697 0.40 37.97 H new ATOM 0 HG3BPRO A 119 91.202 -0.152 9.127 0.40 37.97 H new ATOM 0 HD2BPRO A 119 92.262 -0.247 11.441 0.40 37.59 H new ATOM 0 HD3BPRO A 119 91.131 0.806 11.229 0.40 37.59 H new ATOM 877 N BGLY A 120 88.965 -4.038 11.178 0.40 38.33 N ATOM 878 CA BGLY A 120 89.362 -5.434 11.211 0.40 36.77 C ATOM 879 C BGLY A 120 89.184 -6.073 12.573 0.40 36.67 C ATOM 880 O BGLY A 120 89.208 -5.390 13.602 0.40 35.97 O ATOM 0 H BGLY A 120 88.137 -3.890 11.001 0.40 38.33 H new ATOM 0 HA2BGLY A 120 88.842 -5.928 10.558 0.40 36.77 H new ATOM 0 HA3BGLY A 120 90.292 -5.506 10.945 0.40 36.77 H new ATOM 881 N BILE A 121 89.028 -7.394 12.574 0.40 35.47 N ATOM 882 CA BILE A 121 88.807 -8.159 13.794 0.40 35.21 C ATOM 883 C BILE A 121 89.851 -8.059 14.898 0.40 34.15 C ATOM 884 O BILE A 121 89.588 -8.455 16.034 0.40 34.65 O ATOM 885 CB BILE A 121 88.584 -9.650 13.473 0.40 36.50 C ATOM 886 CG1BILE A 121 89.701 -10.175 12.562 0.40 37.74 C ATOM 887 CG2BILE A 121 87.206 -9.834 12.840 0.40 37.89 C ATOM 888 CD1BILE A 121 91.017 -10.470 13.273 0.40 37.71 C ATOM 0 H BILE A 121 89.048 -7.874 11.861 0.40 35.47 H new ATOM 0 HA BILE A 121 88.018 -7.730 14.159 0.40 35.21 H new ATOM 0 HB BILE A 121 88.614 -10.167 14.293 0.40 36.50 H new ATOM 0 HG12BILE A 121 89.393 -10.986 12.128 0.40 37.74 H new ATOM 0 HG13BILE A 121 89.864 -9.523 11.863 0.40 37.74 H new ATOM 0 HG21BILE A 121 87.065 -10.772 12.638 0.40 37.89 H new ATOM 0 HG22BILE A 121 86.523 -9.531 13.458 0.40 37.89 H new ATOM 0 HG23BILE A 121 87.154 -9.316 12.022 0.40 37.89 H new ATOM 0 HD11BILE A 121 91.666 -10.796 12.630 0.40 37.71 H new ATOM 0 HD12BILE A 121 91.351 -9.658 13.686 0.40 37.71 H new ATOM 0 HD13BILE A 121 90.872 -11.144 13.956 0.40 37.71 H new ATOM 889 N BGLU A 122 91.034 -7.549 14.586 0.40 32.63 N ATOM 890 CA BGLU A 122 92.053 -7.415 15.614 0.40 31.82 C ATOM 891 C BGLU A 122 91.606 -6.363 16.638 0.40 28.79 C ATOM 892 O BGLU A 122 92.204 -6.213 17.707 0.40 26.35 O ATOM 893 CB BGLU A 122 93.387 -7.026 14.975 0.40 35.76 C ATOM 894 CG BGLU A 122 94.495 -6.746 15.966 0.40 41.87 C ATOM 895 CD BGLU A 122 94.642 -5.273 16.250 0.40 44.82 C ATOM 896 OE1BGLU A 122 95.462 -4.908 17.116 0.40 48.37 O ATOM 897 OE2BGLU A 122 93.940 -4.479 15.594 0.40 48.48 O ATOM 0 H BGLU A 122 91.264 -7.280 13.802 0.40 32.63 H new ATOM 0 HA BGLU A 122 92.173 -8.262 16.071 0.40 31.82 H new ATOM 0 HB2BGLU A 122 93.670 -7.740 14.383 0.40 35.76 H new ATOM 0 HB3BGLU A 122 93.253 -6.238 14.425 0.40 35.76 H new ATOM 0 HG2BGLU A 122 94.313 -7.217 16.794 0.40 41.87 H new ATOM 0 HG3BGLU A 122 95.332 -7.093 15.620 0.40 41.87 H new ATOM 898 N BARG A 123 90.533 -5.643 16.323 0.40 26.32 N ATOM 899 CA BARG A 123 90.045 -4.641 17.262 0.40 24.91 C ATOM 900 C BARG A 123 89.359 -5.370 18.417 0.40 23.73 C ATOM 901 O BARG A 123 89.217 -4.830 19.508 0.40 22.61 O ATOM 902 CB BARG A 123 89.091 -3.659 16.567 0.40 25.80 C ATOM 903 CG BARG A 123 87.758 -4.223 16.080 0.40 25.67 C ATOM 904 CD BARG A 123 87.010 -3.092 15.353 0.40 27.24 C ATOM 905 NE BARG A 123 85.683 -3.443 14.853 0.40 28.08 N ATOM 906 CZ BARG A 123 85.448 -4.270 13.841 0.40 28.67 C ATOM 907 NH1BARG A 123 86.450 -4.854 13.203 0.40 29.84 N ATOM 908 NH2BARG A 123 84.202 -4.500 13.457 0.40 31.27 N ATOM 0 H BARG A 123 90.085 -5.716 15.593 0.40 26.32 H new ATOM 0 HA BARG A 123 90.784 -4.114 17.605 0.40 24.91 H new ATOM 0 HB2BARG A 123 88.905 -2.932 17.181 0.40 25.80 H new ATOM 0 HB3BARG A 123 89.554 -3.276 15.805 0.40 25.80 H new ATOM 0 HG2BARG A 123 87.904 -4.974 15.483 0.40 25.67 H new ATOM 0 HG3BARG A 123 87.234 -4.552 16.827 0.40 25.67 H new ATOM 0 HD2BARG A 123 86.923 -2.340 15.959 0.40 27.24 H new ATOM 0 HD3BARG A 123 87.552 -2.793 14.606 0.40 27.24 H new ATOM 0 HE BARG A 123 85.004 -3.088 15.243 0.40 28.08 H new ATOM 0 HH11BARG A 123 87.261 -4.699 13.443 0.40 29.84 H new ATOM 0 HH12BARG A 123 86.290 -5.388 12.549 0.40 29.84 H new ATOM 0 HH21BARG A 123 83.549 -4.114 13.863 0.40 31.27 H new ATOM 0 HH22BARG A 123 84.046 -5.035 12.802 0.40 31.27 H new ATOM 909 N BTYR A 124 88.950 -6.612 18.175 0.40 22.51 N ATOM 910 CA BTYR A 124 88.317 -7.403 19.220 0.40 21.96 C ATOM 911 C BTYR A 124 89.362 -7.923 20.217 0.40 21.11 C ATOM 912 O BTYR A 124 89.045 -8.184 21.382 0.40 21.29 O ATOM 913 CB BTYR A 124 87.498 -8.539 18.592 0.40 23.24 C ATOM 914 CG BTYR A 124 86.284 -8.004 17.844 0.40 25.28 C ATOM 915 CD1BTYR A 124 85.312 -7.249 18.509 0.40 26.00 C ATOM 916 CD2BTYR A 124 86.138 -8.195 16.468 0.40 26.26 C ATOM 917 CE1BTYR A 124 84.229 -6.693 17.822 0.40 25.91 C ATOM 918 CE2BTYR A 124 85.059 -7.645 15.773 0.40 26.26 C ATOM 919 CZ BTYR A 124 84.111 -6.894 16.456 0.40 26.64 C ATOM 920 OH BTYR A 124 83.058 -6.328 15.770 0.40 29.42 O ATOM 0 H BTYR A 124 89.030 -7.011 17.417 0.40 22.51 H new ATOM 0 HA BTYR A 124 87.706 -6.841 19.721 0.40 21.96 H new ATOM 0 HB2BTYR A 124 88.058 -9.045 17.982 0.40 23.24 H new ATOM 0 HB3BTYR A 124 87.208 -9.152 19.285 0.40 23.24 H new ATOM 0 HD1BTYR A 124 85.388 -7.114 19.426 0.40 26.00 H new ATOM 0 HD2BTYR A 124 86.770 -8.697 16.007 0.40 26.26 H new ATOM 0 HE1BTYR A 124 83.592 -6.192 18.278 0.40 25.91 H new ATOM 0 HE2BTYR A 124 84.975 -7.781 14.857 0.40 26.26 H new ATOM 0 HH BTYR A 124 83.112 -6.530 14.956 0.40 29.42 H new ATOM 921 N BALA A 125 90.611 -8.053 19.768 0.40 19.66 N ATOM 922 CA BALA A 125 91.694 -8.485 20.657 0.40 18.95 C ATOM 923 C BALA A 125 91.939 -7.304 21.606 0.40 18.35 C ATOM 924 O BALA A 125 92.188 -7.472 22.810 0.40 17.85 O ATOM 925 CB BALA A 125 92.960 -8.795 19.847 0.40 19.15 C ATOM 0 H BALA A 125 90.852 -7.897 18.957 0.40 19.66 H new ATOM 0 HA BALA A 125 91.463 -9.294 21.141 0.40 18.95 H new ATOM 0 HB1BALA A 125 93.667 -9.079 20.447 0.40 19.15 H new ATOM 0 HB2BALA A 125 92.772 -9.503 19.211 0.40 19.15 H new ATOM 0 HB3BALA A 125 93.242 -7.999 19.370 0.40 19.15 H new ATOM 926 N BLEU A 126 91.877 -6.096 21.055 0.40 16.76 N ATOM 927 CA BLEU A 126 92.045 -4.914 21.879 0.40 16.00 C ATOM 928 C BLEU A 126 90.886 -4.857 22.867 0.40 15.51 C ATOM 929 O BLEU A 126 91.096 -4.639 24.060 0.40 15.78 O ATOM 930 CB BLEU A 126 92.105 -3.658 20.998 0.40 17.41 C ATOM 931 CG BLEU A 126 93.507 -3.492 20.392 0.40 17.14 C ATOM 932 CD1BLEU A 126 93.496 -2.489 19.238 0.40 19.33 C ATOM 933 CD2BLEU A 126 94.484 -3.050 21.512 0.40 19.51 C ATOM 0 H BLEU A 126 91.741 -5.944 20.220 0.40 16.76 H new ATOM 0 HA BLEU A 126 92.880 -4.955 22.371 0.40 16.00 H new ATOM 0 HB2BLEU A 126 91.446 -3.722 20.289 0.40 17.41 H new ATOM 0 HB3BLEU A 126 91.880 -2.876 21.525 0.40 17.41 H new ATOM 0 HG BLEU A 126 93.802 -4.340 20.024 0.40 17.14 H new ATOM 0 HD11BLEU A 126 94.391 -2.404 18.875 0.40 19.33 H new ATOM 0 HD12BLEU A 126 92.894 -2.801 18.544 0.40 19.33 H new ATOM 0 HD13BLEU A 126 93.195 -1.626 19.562 0.40 19.33 H new ATOM 0 HD21BLEU A 126 95.374 -2.942 21.141 0.40 19.51 H new ATOM 0 HD22BLEU A 126 94.186 -2.207 21.888 0.40 19.51 H new ATOM 0 HD23BLEU A 126 94.504 -3.725 22.209 0.40 19.51 H new ATOM 934 N BPHE A 127 89.663 -5.088 22.389 0.40 15.81 N ATOM 935 CA BPHE A 127 88.503 -5.071 23.279 0.40 16.20 C ATOM 936 C BPHE A 127 88.696 -6.053 24.445 0.40 17.84 C ATOM 937 O BPHE A 127 88.430 -5.724 25.604 0.40 17.46 O ATOM 938 CB BPHE A 127 87.228 -5.448 22.515 0.40 19.06 C ATOM 939 CG BPHE A 127 85.995 -5.520 23.389 0.40 18.82 C ATOM 940 CD1BPHE A 127 85.283 -4.362 23.715 0.40 19.45 C ATOM 941 CD2BPHE A 127 85.551 -6.744 23.891 0.40 18.40 C ATOM 942 CE1BPHE A 127 84.146 -4.426 24.525 0.40 17.92 C ATOM 943 CE2BPHE A 127 84.422 -6.823 24.700 0.40 20.00 C ATOM 944 CZ BPHE A 127 83.714 -5.657 25.019 0.40 19.17 C ATOM 0 H BPHE A 127 89.485 -5.254 21.564 0.40 15.81 H new ATOM 0 HA BPHE A 127 88.415 -4.170 23.629 0.40 16.20 H new ATOM 0 HB2BPHE A 127 87.078 -4.798 21.811 0.40 19.06 H new ATOM 0 HB3BPHE A 127 87.360 -6.307 22.085 0.40 19.06 H new ATOM 0 HD1BPHE A 127 85.569 -3.539 23.389 0.40 19.45 H new ATOM 0 HD2BPHE A 127 86.018 -7.520 23.681 0.40 18.40 H new ATOM 0 HE1BPHE A 127 83.678 -3.650 24.734 0.40 17.92 H new ATOM 0 HE2BPHE A 127 84.139 -7.646 25.028 0.40 20.00 H new ATOM 0 HZ BPHE A 127 82.958 -5.703 25.559 0.40 19.17 H new ATOM 945 N BGLY A 128 89.164 -7.260 24.129 0.40 18.76 N ATOM 946 CA BGLY A 128 89.379 -8.272 25.158 0.40 19.62 C ATOM 947 C BGLY A 128 90.404 -7.856 26.198 0.40 20.61 C ATOM 948 O BGLY A 128 90.307 -8.226 27.375 0.40 21.59 O ATOM 0 H BGLY A 128 89.362 -7.510 23.330 0.40 18.76 H new ATOM 0 HA2BGLY A 128 88.536 -8.460 25.600 0.40 19.62 H new ATOM 0 HA3BGLY A 128 89.669 -9.096 24.737 0.40 19.62 H new ATOM 949 N BMET A 129 91.401 -7.096 25.761 0.40 20.08 N ATOM 950 CA BMET A 129 92.443 -6.608 26.647 0.40 20.67 C ATOM 951 C BMET A 129 91.820 -5.696 27.705 0.40 18.75 C ATOM 952 O BMET A 129 92.146 -5.774 28.892 0.40 17.82 O ATOM 953 CB BMET A 129 93.487 -5.835 25.839 0.40 22.00 C ATOM 954 CG BMET A 129 94.690 -5.406 26.631 0.40 26.84 C ATOM 955 SD BMET A 129 95.760 -4.277 25.698 0.40 30.61 S ATOM 956 CE BMET A 129 95.195 -2.698 26.346 0.40 32.48 C ATOM 0 H BMET A 129 91.490 -6.850 24.942 0.40 20.08 H new ATOM 0 HA BMET A 129 92.876 -7.358 27.084 0.40 20.67 H new ATOM 0 HB2BMET A 129 93.781 -6.388 25.098 0.40 22.00 H new ATOM 0 HB3BMET A 129 93.067 -5.048 25.457 0.40 22.00 H new ATOM 0 HG2BMET A 129 94.399 -4.972 27.448 0.40 26.84 H new ATOM 0 HG3BMET A 129 95.199 -6.189 26.892 0.40 26.84 H new ATOM 0 HE1BMET A 129 94.922 -2.126 25.612 0.40 32.48 H new ATOM 0 HE2BMET A 129 94.442 -2.843 26.940 0.40 32.48 H new ATOM 0 HE3BMET A 129 95.916 -2.273 26.837 0.40 32.48 H new ATOM 957 N BGLY A 130 90.925 -4.820 27.262 0.40 20.19 N ATOM 958 CA BGLY A 130 90.255 -3.927 28.183 0.40 17.94 C ATOM 959 C BGLY A 130 89.172 -4.600 29.012 0.40 18.56 C ATOM 960 O BGLY A 130 88.945 -4.208 30.149 0.40 17.82 O ATOM 0 H BGLY A 130 90.696 -4.731 26.438 0.40 20.19 H new ATOM 0 HA2BGLY A 130 90.913 -3.538 28.780 0.40 17.94 H new ATOM 0 HA3BGLY A 130 89.860 -3.196 27.682 0.40 17.94 H new ATOM 961 N BALA A 131 88.488 -5.602 28.463 0.40 19.95 N ATOM 962 CA BALA A 131 87.437 -6.286 29.214 0.40 20.72 C ATOM 963 C BALA A 131 88.028 -7.049 30.415 0.40 20.13 C ATOM 964 O BALA A 131 87.466 -7.046 31.509 0.40 18.74 O ATOM 965 CB BALA A 131 86.680 -7.237 28.292 0.40 22.56 C ATOM 0 H BALA A 131 88.615 -5.899 27.666 0.40 19.95 H new ATOM 0 HA BALA A 131 86.819 -5.623 29.559 0.40 20.72 H new ATOM 0 HB1BALA A 131 85.984 -7.689 28.794 0.40 22.56 H new ATOM 0 HB2BALA A 131 86.280 -6.734 27.566 0.40 22.56 H new ATOM 0 HB3BALA A 131 87.295 -7.894 27.929 0.40 22.56 H new ATOM 966 N BVAL A 132 89.173 -7.690 30.209 0.40 19.76 N ATOM 967 CA BVAL A 132 89.833 -8.422 31.291 0.40 19.34 C ATOM 968 C BVAL A 132 90.370 -7.430 32.340 0.40 18.40 C ATOM 969 O BVAL A 132 90.243 -7.659 33.538 0.40 18.99 O ATOM 970 CB BVAL A 132 91.001 -9.288 30.742 0.40 21.16 C ATOM 971 CG1BVAL A 132 91.872 -9.799 31.901 0.40 21.12 C ATOM 972 CG2BVAL A 132 90.433 -10.464 29.948 0.40 22.97 C ATOM 0 H BVAL A 132 89.585 -7.715 29.454 0.40 19.76 H new ATOM 0 HA BVAL A 132 89.182 -9.011 31.704 0.40 19.34 H new ATOM 0 HB BVAL A 132 91.554 -8.746 30.158 0.40 21.16 H new ATOM 0 HG11BVAL A 132 92.597 -10.338 31.548 0.40 21.12 H new ATOM 0 HG12BVAL A 132 92.238 -9.044 32.388 0.40 21.12 H new ATOM 0 HG13BVAL A 132 91.331 -10.338 32.499 0.40 21.12 H new ATOM 0 HG21BVAL A 132 91.161 -11.005 29.605 0.40 22.97 H new ATOM 0 HG22BVAL A 132 89.873 -11.005 30.527 0.40 22.97 H new ATOM 0 HG23BVAL A 132 89.903 -10.129 29.208 0.40 22.97 H new ATOM 973 N BALA A 133 90.967 -6.332 31.886 0.40 17.96 N ATOM 974 CA BALA A 133 91.483 -5.307 32.802 0.40 18.30 C ATOM 975 C BALA A 133 90.316 -4.714 33.589 0.40 17.79 C ATOM 976 O BALA A 133 90.450 -4.372 34.761 0.40 18.83 O ATOM 977 CB BALA A 133 92.200 -4.206 32.023 0.40 17.22 C ATOM 0 H BALA A 133 91.085 -6.158 31.052 0.40 17.96 H new ATOM 0 HA BALA A 133 92.120 -5.712 33.412 0.40 18.30 H new ATOM 0 HB1BALA A 133 92.535 -3.537 32.641 0.40 17.22 H new ATOM 0 HB2BALA A 133 92.942 -4.589 31.529 0.40 17.22 H new ATOM 0 HB3BALA A 133 91.580 -3.791 31.403 0.40 17.22 H new ATOM 978 N BPHE A 134 89.163 -4.595 32.939 0.40 16.93 N ATOM 979 CA BPHE A 134 87.980 -4.063 33.616 0.40 17.44 C ATOM 980 C BPHE A 134 87.530 -5.011 34.738 0.40 18.19 C ATOM 981 O BPHE A 134 87.117 -4.568 35.820 0.40 17.69 O ATOM 982 CB BPHE A 134 86.848 -3.865 32.614 0.40 17.73 C ATOM 983 CG BPHE A 134 85.560 -3.367 33.231 0.40 19.92 C ATOM 984 CD1BPHE A 134 85.482 -2.092 33.794 0.40 20.04 C ATOM 985 CD2BPHE A 134 84.415 -4.154 33.211 0.40 19.68 C ATOM 986 CE1BPHE A 134 84.275 -1.616 34.318 0.40 20.17 C ATOM 987 CE2BPHE A 134 83.209 -3.682 33.733 0.40 20.95 C ATOM 988 CZ BPHE A 134 83.144 -2.409 34.286 0.40 21.82 C ATOM 0 H BPHE A 134 89.043 -4.813 32.116 0.40 16.93 H new ATOM 0 HA BPHE A 134 88.209 -3.206 34.008 0.40 17.44 H new ATOM 0 HB2BPHE A 134 87.136 -3.234 31.935 0.40 17.73 H new ATOM 0 HB3BPHE A 134 86.676 -4.707 32.164 0.40 17.73 H new ATOM 0 HD1BPHE A 134 86.240 -1.554 33.821 0.40 20.04 H new ATOM 0 HD2BPHE A 134 84.452 -5.008 32.844 0.40 19.68 H new ATOM 0 HE1BPHE A 134 84.234 -0.764 34.689 0.40 20.17 H new ATOM 0 HE2BPHE A 134 82.450 -4.219 33.711 0.40 20.95 H new ATOM 0 HZ BPHE A 134 82.342 -2.092 34.633 0.40 21.82 H new ATOM 989 N BLEU A 135 87.600 -6.318 34.493 0.40 18.04 N ATOM 990 CA BLEU A 135 87.205 -7.263 35.545 0.40 20.49 C ATOM 991 C BLEU A 135 88.166 -7.113 36.721 0.40 19.24 C ATOM 992 O BLEU A 135 87.759 -7.187 37.879 0.40 20.49 O ATOM 993 CB BLEU A 135 87.217 -8.708 35.021 0.40 22.25 C ATOM 994 CG BLEU A 135 86.318 -8.879 33.795 0.40 25.13 C ATOM 995 CD1BLEU A 135 86.276 -10.340 33.348 0.40 27.90 C ATOM 996 CD2BLEU A 135 84.919 -8.376 34.150 0.40 26.54 C ATOM 0 H BLEU A 135 87.863 -6.672 33.754 0.40 18.04 H new ATOM 0 HA BLEU A 135 86.300 -7.065 35.831 0.40 20.49 H new ATOM 0 HB2BLEU A 135 88.125 -8.961 34.793 0.40 22.25 H new ATOM 0 HB3BLEU A 135 86.923 -9.309 35.723 0.40 22.25 H new ATOM 0 HG BLEU A 135 86.673 -8.364 33.054 0.40 25.13 H new ATOM 0 HD11BLEU A 135 85.701 -10.425 32.571 0.40 27.90 H new ATOM 0 HD12BLEU A 135 87.172 -10.635 33.121 0.40 27.90 H new ATOM 0 HD13BLEU A 135 85.928 -10.889 34.068 0.40 27.90 H new ATOM 0 HD21BLEU A 135 84.334 -8.477 33.383 0.40 26.54 H new ATOM 0 HD22BLEU A 135 84.568 -8.891 34.893 0.40 26.54 H new ATOM 0 HD23BLEU A 135 84.965 -7.440 34.400 0.40 26.54 H new ATOM 997 N BGLY A 136 89.444 -6.898 36.426 0.40 19.27 N ATOM 998 CA BGLY A 136 90.401 -6.698 37.497 0.40 19.99 C ATOM 999 C BGLY A 136 90.048 -5.432 38.279 0.40 18.96 C ATOM 1000 O BGLY A 136 90.098 -5.415 39.508 0.40 20.47 O ATOM 0 H BGLY A 136 89.768 -6.865 35.630 0.40 19.27 H new ATOM 0 HA2BGLY A 136 90.400 -7.465 38.090 0.40 19.99 H new ATOM 0 HA3BGLY A 136 91.297 -6.623 37.132 0.40 19.99 H new ATOM 1001 N BLEU A 137 89.674 -4.370 37.570 0.40 19.89 N ATOM 1002 CA BLEU A 137 89.309 -3.107 38.223 0.40 20.06 C ATOM 1003 C BLEU A 137 88.094 -3.317 39.141 0.40 20.23 C ATOM 1004 O BLEU A 137 88.113 -2.929 40.307 0.40 19.33 O ATOM 1005 CB BLEU A 137 88.971 -2.037 37.172 0.40 20.63 C ATOM 1006 CG BLEU A 137 88.596 -0.646 37.715 0.40 20.40 C ATOM 1007 CD1BLEU A 137 89.833 0.015 38.318 0.40 23.21 C ATOM 1008 CD2BLEU A 137 88.035 0.217 36.589 0.40 21.71 C ATOM 0 H BLEU A 137 89.624 -4.356 36.712 0.40 19.89 H new ATOM 0 HA BLEU A 137 90.066 -2.808 38.751 0.40 20.06 H new ATOM 0 HB2BLEU A 137 89.734 -1.938 36.581 0.40 20.63 H new ATOM 0 HB3BLEU A 137 88.234 -2.362 36.632 0.40 20.63 H new ATOM 0 HG BLEU A 137 87.918 -0.740 38.402 0.40 20.40 H new ATOM 0 HD11BLEU A 137 89.597 0.891 38.660 0.40 23.21 H new ATOM 0 HD12BLEU A 137 90.173 -0.534 39.042 0.40 23.21 H new ATOM 0 HD13BLEU A 137 90.516 0.108 37.635 0.40 23.21 H new ATOM 0 HD21BLEU A 137 87.801 1.091 36.937 0.40 21.71 H new ATOM 0 HD22BLEU A 137 88.703 0.315 35.893 0.40 21.71 H new ATOM 0 HD23BLEU A 137 87.244 -0.206 36.220 0.40 21.71 H new ATOM 1009 N BVAL A 138 87.043 -3.938 38.608 0.40 20.06 N ATOM 1010 CA BVAL A 138 85.838 -4.196 39.391 0.40 20.08 C ATOM 1011 C BVAL A 138 86.189 -5.001 40.645 0.40 21.29 C ATOM 1012 O BVAL A 138 85.715 -4.690 41.742 0.40 21.10 O ATOM 1013 CB BVAL A 138 84.787 -4.948 38.553 0.40 20.94 C ATOM 1014 CG1BVAL A 138 83.578 -5.306 39.418 0.40 22.78 C ATOM 1015 CG2BVAL A 138 84.350 -4.070 37.383 0.40 19.46 C ATOM 0 H BVAL A 138 87.008 -4.217 37.795 0.40 20.06 H new ATOM 0 HA BVAL A 138 85.459 -3.344 39.657 0.40 20.08 H new ATOM 0 HB BVAL A 138 85.177 -5.768 38.213 0.40 20.94 H new ATOM 0 HG11BVAL A 138 82.924 -5.779 38.880 0.40 22.78 H new ATOM 0 HG12BVAL A 138 83.862 -5.872 40.153 0.40 22.78 H new ATOM 0 HG13BVAL A 138 83.181 -4.495 39.771 0.40 22.78 H new ATOM 0 HG21BVAL A 138 83.688 -4.542 36.854 0.40 19.46 H new ATOM 0 HG22BVAL A 138 83.965 -3.247 37.722 0.40 19.46 H new ATOM 0 HG23BVAL A 138 85.119 -3.863 36.829 0.40 19.46 H new ATOM 1016 N BTYR A 139 87.031 -6.025 40.493 0.40 22.86 N ATOM 1017 CA BTYR A 139 87.447 -6.823 41.650 0.40 23.66 C ATOM 1018 C BTYR A 139 88.065 -5.905 42.721 0.40 24.07 C ATOM 1019 O BTYR A 139 87.805 -6.044 43.915 0.40 24.98 O ATOM 1020 CB BTYR A 139 88.500 -7.866 41.251 0.40 25.31 C ATOM 1021 CG BTYR A 139 89.365 -8.294 42.427 0.40 27.14 C ATOM 1022 CD1BTYR A 139 88.865 -9.144 43.416 0.40 29.09 C ATOM 1023 CD2BTYR A 139 90.658 -7.794 42.581 0.40 29.13 C ATOM 1024 CE1BTYR A 139 89.635 -9.485 44.536 0.40 31.55 C ATOM 1025 CE2BTYR A 139 91.436 -8.124 43.694 0.40 31.96 C ATOM 1026 CZ BTYR A 139 90.919 -8.969 44.667 0.40 32.14 C ATOM 1027 OH BTYR A 139 91.689 -9.291 45.762 0.40 36.43 O ATOM 0 H BTYR A 139 87.368 -6.272 39.741 0.40 22.86 H new ATOM 0 HA BTYR A 139 86.661 -7.274 41.996 0.40 23.66 H new ATOM 0 HB2BTYR A 139 88.056 -8.644 40.879 0.40 25.31 H new ATOM 0 HB3BTYR A 139 89.065 -7.501 40.553 0.40 25.31 H new ATOM 0 HD1BTYR A 139 88.006 -9.490 43.330 0.40 29.09 H new ATOM 0 HD2BTYR A 139 91.009 -7.230 41.930 0.40 29.13 H new ATOM 0 HE1BTYR A 139 89.289 -10.052 45.187 0.40 31.55 H new ATOM 0 HE2BTYR A 139 92.295 -7.780 43.783 0.40 31.96 H new ATOM 0 HH BTYR A 139 92.435 -8.909 45.703 0.40 36.43 H new ATOM 1028 N BTYR A 140 88.911 -4.980 42.291 0.40 24.81 N ATOM 1029 CA BTYR A 140 89.541 -4.071 43.236 0.40 26.67 C ATOM 1030 C BTYR A 140 88.549 -3.159 43.943 0.40 25.35 C ATOM 1031 O BTYR A 140 88.642 -2.956 45.154 0.40 26.89 O ATOM 1032 CB BTYR A 140 90.633 -3.256 42.532 0.40 29.18 C ATOM 1033 CG BTYR A 140 91.962 -3.955 42.620 0.40 32.06 C ATOM 1034 CD1BTYR A 140 92.773 -3.805 43.742 0.40 33.09 C ATOM 1035 CD2BTYR A 140 92.350 -4.874 41.647 0.40 34.68 C ATOM 1036 CE1BTYR A 140 93.931 -4.558 43.902 0.40 35.67 C ATOM 1037 CE2BTYR A 140 93.505 -5.634 41.796 0.40 36.19 C ATOM 1038 CZ BTYR A 140 94.289 -5.473 42.927 0.40 37.29 C ATOM 1039 OH BTYR A 140 95.421 -6.240 43.085 0.40 39.41 O ATOM 0 H BTYR A 140 89.132 -4.862 41.468 0.40 24.81 H new ATOM 0 HA BTYR A 140 89.943 -4.616 43.930 0.40 26.67 H new ATOM 0 HB2BTYR A 140 90.394 -3.123 41.601 0.40 29.18 H new ATOM 0 HB3BTYR A 140 90.698 -2.377 42.937 0.40 29.18 H new ATOM 0 HD1BTYR A 140 92.535 -3.189 44.397 0.40 33.09 H new ATOM 0 HD2BTYR A 140 91.828 -4.981 40.885 0.40 34.68 H new ATOM 0 HE1BTYR A 140 94.461 -4.448 44.658 0.40 35.67 H new ATOM 0 HE2BTYR A 140 93.750 -6.247 41.140 0.40 36.19 H new ATOM 0 HH BTYR A 140 95.511 -6.747 42.421 0.40 39.41 H new ATOM 1040 N BLEU A 141 87.581 -2.645 43.193 0.40 25.34 N ATOM 1041 CA BLEU A 141 86.578 -1.744 43.746 0.40 25.45 C ATOM 1042 C BLEU A 141 85.653 -2.428 44.746 0.40 25.76 C ATOM 1043 O BLEU A 141 85.324 -1.871 45.787 0.40 24.33 O ATOM 1044 CB BLEU A 141 85.731 -1.151 42.619 0.40 24.65 C ATOM 1045 CG BLEU A 141 86.408 -0.160 41.672 0.40 25.39 C ATOM 1046 CD1BLEU A 141 85.579 -0.003 40.407 0.40 23.43 C ATOM 1047 CD2BLEU A 141 86.577 1.174 42.379 0.40 25.36 C ATOM 0 H BLEU A 141 87.487 -2.808 42.354 0.40 25.34 H new ATOM 0 HA BLEU A 141 87.062 -1.048 44.218 0.40 25.45 H new ATOM 0 HB2BLEU A 141 85.385 -1.885 42.087 0.40 24.65 H new ATOM 0 HB3BLEU A 141 84.968 -0.707 43.020 0.40 24.65 H new ATOM 0 HG BLEU A 141 87.283 -0.493 41.419 0.40 25.39 H new ATOM 0 HD11BLEU A 141 86.014 0.627 39.811 0.40 23.43 H new ATOM 0 HD12BLEU A 141 85.497 -0.862 39.965 0.40 23.43 H new ATOM 0 HD13BLEU A 141 84.696 0.327 40.637 0.40 23.43 H new ATOM 0 HD21BLEU A 141 87.006 1.805 41.781 0.40 25.36 H new ATOM 0 HD22BLEU A 141 85.707 1.515 42.638 0.40 25.36 H new ATOM 0 HD23BLEU A 141 87.126 1.054 43.170 0.40 25.36 H new ATOM 1048 N BVAL A 142 85.240 -3.642 44.413 0.40 25.86 N ATOM 1049 CA BVAL A 142 84.315 -4.389 45.243 0.40 26.88 C ATOM 1050 C BVAL A 142 84.969 -5.133 46.396 0.40 28.07 C ATOM 1051 O BVAL A 142 84.314 -5.425 47.398 0.40 28.28 O ATOM 1052 CB BVAL A 142 83.511 -5.371 44.364 0.40 26.11 C ATOM 1053 CG1BVAL A 142 82.892 -6.466 45.210 0.40 29.13 C ATOM 1054 CG2BVAL A 142 82.428 -4.599 43.607 0.40 26.90 C ATOM 0 H BVAL A 142 85.489 -4.054 43.700 0.40 25.86 H new ATOM 0 HA BVAL A 142 83.728 -3.735 45.654 0.40 26.88 H new ATOM 0 HB BVAL A 142 84.110 -5.792 43.727 0.40 26.11 H new ATOM 0 HG11BVAL A 142 82.392 -7.072 44.641 0.40 29.13 H new ATOM 0 HG12BVAL A 142 83.593 -6.957 45.667 0.40 29.13 H new ATOM 0 HG13BVAL A 142 82.295 -6.071 45.864 0.40 29.13 H new ATOM 0 HG21BVAL A 142 81.920 -5.213 43.053 0.40 26.90 H new ATOM 0 HG22BVAL A 142 81.833 -4.169 44.241 0.40 26.90 H new ATOM 0 HG23BVAL A 142 82.843 -3.925 43.046 0.40 26.90 H new ATOM 1055 N BGLY A 143 86.256 -5.432 46.263 0.40 28.17 N ATOM 1056 CA BGLY A 143 86.944 -6.158 47.313 0.40 29.72 C ATOM 1057 C BGLY A 143 87.857 -5.313 48.181 0.40 30.06 C ATOM 1058 O BGLY A 143 87.397 -4.655 49.113 0.40 31.35 O ATOM 0 H BGLY A 143 86.740 -5.226 45.583 0.40 28.17 H new ATOM 0 HA2BGLY A 143 86.283 -6.584 47.881 0.40 29.72 H new ATOM 0 HA3BGLY A 143 87.469 -6.866 46.908 0.40 29.72 H new ATOM 1059 N BPRO A 144 89.164 -5.316 47.895 0.40 29.84 N ATOM 1060 CA BPRO A 144 90.177 -4.560 48.636 0.40 29.64 C ATOM 1061 C BPRO A 144 89.885 -3.074 48.885 0.40 29.03 C ATOM 1062 O BPRO A 144 90.294 -2.531 49.907 0.40 27.91 O ATOM 1063 CB BPRO A 144 91.453 -4.783 47.821 0.40 30.08 C ATOM 1064 CG BPRO A 144 90.955 -5.183 46.455 0.40 31.73 C ATOM 1065 CD BPRO A 144 89.773 -6.045 46.769 0.40 29.71 C ATOM 0 HA BPRO A 144 90.227 -4.880 49.550 0.40 29.64 H new ATOM 0 HB2BPRO A 144 91.992 -3.978 47.780 0.40 30.08 H new ATOM 0 HB3BPRO A 144 92.007 -5.476 48.213 0.40 30.08 H new ATOM 0 HG2BPRO A 144 90.706 -4.411 45.923 0.40 31.73 H new ATOM 0 HG3BPRO A 144 91.630 -5.667 45.954 0.40 31.73 H new ATOM 0 HD2BPRO A 144 89.168 -6.122 46.015 0.40 29.71 H new ATOM 0 HD3BPRO A 144 90.034 -6.946 47.017 0.40 29.71 H new ATOM 1066 N BMET A 145 89.189 -2.412 47.965 0.40 29.05 N ATOM 1067 CA BMET A 145 88.880 -0.999 48.171 0.40 28.85 C ATOM 1068 C BMET A 145 87.682 -0.836 49.098 0.40 28.45 C ATOM 1069 O BMET A 145 87.575 0.153 49.808 0.40 30.16 O ATOM 1070 CB BMET A 145 88.618 -0.304 46.839 0.40 26.98 C ATOM 1071 CG BMET A 145 89.885 -0.049 46.058 0.40 25.50 C ATOM 1072 SD BMET A 145 89.539 0.718 44.483 0.40 28.49 S ATOM 1073 CE BMET A 145 88.955 2.392 44.988 0.40 27.30 C ATOM 0 H BMET A 145 88.893 -2.751 47.232 0.40 29.05 H new ATOM 0 HA BMET A 145 89.649 -0.582 48.589 0.40 28.85 H new ATOM 0 HB2BMET A 145 88.018 -0.849 46.306 0.40 26.98 H new ATOM 0 HB3BMET A 145 88.167 0.539 47.001 0.40 26.98 H new ATOM 0 HG2BMET A 145 90.476 0.522 46.574 0.40 25.50 H new ATOM 0 HG3BMET A 145 90.353 -0.887 45.916 0.40 25.50 H new ATOM 0 HE1BMET A 145 89.193 3.038 44.304 0.40 27.30 H new ATOM 0 HE2BMET A 145 87.991 2.379 45.099 0.40 27.30 H new ATOM 0 HE3BMET A 145 89.373 2.641 45.827 0.40 27.30 H new ATOM 1074 N BTHR A 146 86.791 -1.821 49.107 0.40 29.51 N ATOM 1075 CA BTHR A 146 85.624 -1.743 49.971 0.40 29.57 C ATOM 1076 C BTHR A 146 86.044 -2.048 51.410 0.40 30.55 C ATOM 1077 O BTHR A 146 85.537 -1.448 52.367 0.40 29.62 O ATOM 1078 CB BTHR A 146 84.537 -2.721 49.504 0.40 29.50 C ATOM 1079 OG1BTHR A 146 84.063 -2.312 48.212 0.40 28.21 O ATOM 1080 CG2BTHR A 146 83.374 -2.743 50.482 0.40 28.73 C ATOM 0 H BTHR A 146 86.843 -2.533 48.627 0.40 29.51 H new ATOM 0 HA BTHR A 146 85.253 -0.848 49.928 0.40 29.57 H new ATOM 0 HB BTHR A 146 84.917 -3.612 49.457 0.40 29.50 H new ATOM 0 HG1BTHR A 146 84.714 -2.229 47.688 0.40 28.21 H new ATOM 0 HG21BTHR A 146 82.700 -3.366 50.169 0.40 28.73 H new ATOM 0 HG22BTHR A 146 83.691 -3.022 51.355 0.40 28.73 H new ATOM 0 HG23BTHR A 146 82.988 -1.855 50.547 0.40 28.73 H new ATOM 1081 N BGLU A 147 86.987 -2.976 51.546 0.40 31.68 N ATOM 1082 CA BGLU A 147 87.508 -3.360 52.847 0.40 33.53 C ATOM 1083 C BGLU A 147 88.311 -2.174 53.364 0.40 32.21 C ATOM 1084 O BGLU A 147 88.356 -1.912 54.562 0.40 33.02 O ATOM 1085 CB BGLU A 147 88.413 -4.586 52.716 0.40 35.43 C ATOM 1086 CG BGLU A 147 88.832 -5.196 54.049 0.40 40.91 C ATOM 1087 CD BGLU A 147 87.710 -5.978 54.735 0.40 42.78 C ATOM 1088 OE1BGLU A 147 86.633 -5.398 54.995 0.40 44.00 O ATOM 1089 OE2BGLU A 147 87.915 -7.179 55.020 0.40 45.27 O ATOM 0 H BGLU A 147 87.340 -3.398 50.886 0.40 31.68 H new ATOM 0 HA BGLU A 147 86.787 -3.589 53.455 0.40 33.53 H new ATOM 0 HB2BGLU A 147 87.953 -5.261 52.193 0.40 35.43 H new ATOM 0 HB3BGLU A 147 89.209 -4.337 52.221 0.40 35.43 H new ATOM 0 HG2BGLU A 147 89.588 -5.787 53.904 0.40 40.91 H new ATOM 0 HG3BGLU A 147 89.134 -4.489 54.641 0.40 40.91 H new ATOM 1090 N BSER A 148 88.952 -1.456 52.449 0.40 31.91 N ATOM 1091 CA BSER A 148 89.736 -0.285 52.824 0.40 29.80 C ATOM 1092 C BSER A 148 88.787 0.819 53.292 0.40 29.34 C ATOM 1093 O BSER A 148 89.090 1.548 54.241 0.40 30.20 O ATOM 1094 CB BSER A 148 90.559 0.207 51.636 0.40 30.86 C ATOM 1095 OG BSER A 148 91.527 1.146 52.056 0.40 32.56 O ATOM 0 H BSER A 148 88.946 -1.629 51.607 0.40 31.91 H new ATOM 0 HA BSER A 148 90.345 -0.522 53.541 0.40 29.80 H new ATOM 0 HB2BSER A 148 90.996 -0.545 51.205 0.40 30.86 H new ATOM 0 HB3BSER A 148 89.974 0.611 50.976 0.40 30.86 H new ATOM 0 HG BSER A 148 91.179 1.910 52.093 0.40 32.56 H new ATOM 1096 N BALA A 149 87.635 0.929 52.634 0.40 27.08 N ATOM 1097 CA BALA A 149 86.651 1.942 52.991 0.40 27.49 C ATOM 1098 C BALA A 149 85.992 1.625 54.335 0.40 27.06 C ATOM 1099 O BALA A 149 85.517 2.526 55.033 0.40 25.84 O ATOM 1100 CB BALA A 149 85.593 2.047 51.905 0.40 26.14 C ATOM 0 H BALA A 149 87.406 0.424 51.976 0.40 27.08 H new ATOM 0 HA BALA A 149 87.111 2.792 53.074 0.40 27.49 H new ATOM 0 HB1BALA A 149 84.943 2.723 52.151 0.40 26.14 H new ATOM 0 HB2BALA A 149 86.013 2.293 51.066 0.40 26.14 H new ATOM 0 HB3BALA A 149 85.147 1.192 51.804 0.40 26.14 H new ATOM 1101 N BSER A 150 85.972 0.340 54.681 0.40 26.95 N ATOM 1102 CA BSER A 150 85.383 -0.143 55.927 0.40 27.57 C ATOM 1103 C BSER A 150 86.178 0.228 57.178 0.40 27.49 C ATOM 1104 O BSER A 150 85.775 -0.107 58.291 0.40 29.21 O ATOM 1105 CB BSER A 150 85.222 -1.672 55.880 0.40 28.12 C ATOM 1106 OG BSER A 150 84.291 -2.065 54.887 0.40 27.88 O ATOM 0 H BSER A 150 86.305 -0.284 54.192 0.40 26.95 H new ATOM 0 HA BSER A 150 84.522 0.299 55.995 0.40 27.57 H new ATOM 0 HB2BSER A 150 86.082 -2.084 55.700 0.40 28.12 H new ATOM 0 HB3BSER A 150 84.928 -1.995 56.746 0.40 28.12 H new ATOM 0 HG BSER A 150 84.608 -1.904 54.126 0.40 27.88 H new ATOM 1107 N BGLN A 151 87.313 0.891 57.011 0.40 27.92 N ATOM 1108 CA BGLN A 151 88.099 1.289 58.172 0.40 29.52 C ATOM 1109 C BGLN A 151 87.839 2.765 58.504 0.40 28.99 C ATOM 1110 O BGLN A 151 88.290 3.269 59.529 0.40 28.86 O ATOM 1111 CB BGLN A 151 89.591 1.062 57.916 0.40 30.76 C ATOM 1112 CG BGLN A 151 89.904 -0.248 57.197 0.40 34.66 C ATOM 1113 CD BGLN A 151 89.247 -1.470 57.829 0.40 37.73 C ATOM 1114 OE1BGLN A 151 89.085 -1.449 59.150 0.40 39.68 O flip ATOM 1115 NE2BGLN A 151 88.900 -2.427 57.131 0.40 38.70 N flip ATOM 0 H BGLN A 151 87.643 1.118 56.250 0.40 27.92 H new ATOM 0 HA BGLN A 151 87.830 0.743 58.927 0.40 29.52 H new ATOM 0 HB2BGLN A 151 89.936 1.800 57.389 0.40 30.76 H new ATOM 0 HB3BGLN A 151 90.061 1.075 58.764 0.40 30.76 H new ATOM 0 HG2BGLN A 151 89.615 -0.177 56.274 0.40 34.66 H new ATOM 0 HG3BGLN A 151 90.865 -0.378 57.184 0.40 34.66 H new ATOM 0 HE21BGLN A 151 89.021 -2.405 56.280 0.40 38.70 H new ATOM 0 HE22BGLN A 151 88.537 -3.116 57.496 0.40 38.70 H new ATOM 1116 N BARG A 152 87.097 3.450 57.641 0.40 27.68 N ATOM 1117 CA BARG A 152 86.790 4.860 57.855 0.40 28.72 C ATOM 1118 C BARG A 152 85.401 4.991 58.484 0.40 28.86 C ATOM 1119 O BARG A 152 84.798 3.985 58.861 0.40 29.66 O ATOM 1120 CB BARG A 152 86.875 5.607 56.521 0.40 29.09 C ATOM 1121 CG BARG A 152 88.178 5.297 55.769 0.40 28.95 C ATOM 1122 CD BARG A 152 88.491 6.331 54.710 0.40 28.98 C ATOM 1123 NE BARG A 152 88.855 7.610 55.302 0.40 28.62 N ATOM 1124 CZ BARG A 152 88.997 8.737 54.614 0.40 29.25 C ATOM 1125 NH1BARG A 152 88.802 8.745 53.299 0.40 28.44 N ATOM 1126 NH2BARG A 152 89.324 9.859 55.240 0.40 28.81 N ATOM 0 H BARG A 152 86.761 3.116 56.923 0.40 27.68 H new ATOM 0 HA BARG A 152 87.434 5.254 58.464 0.40 28.72 H new ATOM 0 HB2BARG A 152 86.117 5.364 55.967 0.40 29.09 H new ATOM 0 HB3BARG A 152 86.815 6.562 56.682 0.40 29.09 H new ATOM 0 HG2BARG A 152 88.912 5.253 56.402 0.40 28.95 H new ATOM 0 HG3BARG A 152 88.109 4.423 55.354 0.40 28.95 H new ATOM 0 HD2BARG A 152 89.218 6.014 54.151 0.40 28.98 H new ATOM 0 HD3BARG A 152 87.720 6.448 54.133 0.40 28.98 H new ATOM 0 HE BARG A 152 88.986 7.638 56.151 0.40 28.62 H new ATOM 0 HH11BARG A 152 88.583 8.019 52.892 0.40 28.44 H new ATOM 0 HH12BARG A 152 88.894 9.476 52.855 0.40 28.44 H new ATOM 0 HH21BARG A 152 89.444 9.857 56.092 0.40 28.81 H new ATOM 0 HH22BARG A 152 89.416 10.589 54.794 0.40 28.81 H new ATOM 1127 N BSER A 153 84.889 6.211 58.601 0.40 28.54 N ATOM 1128 CA BSER A 153 83.582 6.400 59.226 0.40 27.99 C ATOM 1129 C BSER A 153 82.442 5.721 58.465 0.40 28.24 C ATOM 1130 O BSER A 153 82.585 5.334 57.300 0.40 28.67 O ATOM 1131 CB BSER A 153 83.284 7.895 59.410 0.40 27.90 C ATOM 1132 OG BSER A 153 82.924 8.515 58.190 0.40 25.74 O ATOM 0 H BSER A 153 85.273 6.932 58.331 0.40 28.54 H new ATOM 0 HA BSER A 153 83.630 5.969 60.094 0.40 27.99 H new ATOM 0 HB2BSER A 153 82.566 8.005 60.052 0.40 27.90 H new ATOM 0 HB3BSER A 153 84.065 8.337 59.779 0.40 27.90 H new ATOM 0 HG BSER A 153 82.182 8.898 58.279 0.40 25.74 H new ATOM 1133 N BSER A 154 81.307 5.564 59.136 0.40 27.80 N ATOM 1134 CA BSER A 154 80.151 4.927 58.519 0.40 26.76 C ATOM 1135 C BSER A 154 79.640 5.778 57.361 0.40 25.04 C ATOM 1136 O BSER A 154 79.137 5.253 56.372 0.40 23.98 O ATOM 1137 CB BSER A 154 79.046 4.722 59.558 0.40 28.88 C ATOM 1138 OG BSER A 154 78.582 5.960 60.060 0.40 35.47 O ATOM 0 H BSER A 154 81.186 5.819 59.948 0.40 27.80 H new ATOM 0 HA BSER A 154 80.416 4.060 58.174 0.40 26.76 H new ATOM 0 HB2BSER A 154 78.308 4.235 59.158 0.40 28.88 H new ATOM 0 HB3BSER A 154 79.382 4.179 60.288 0.40 28.88 H new ATOM 0 HG BSER A 154 77.977 5.824 60.626 0.40 35.47 H new ATOM 1139 N BGLY A 155 79.785 7.093 57.485 0.40 23.04 N ATOM 1140 CA BGLY A 155 79.343 7.990 56.435 0.40 22.75 C ATOM 1141 C BGLY A 155 80.189 7.857 55.177 0.40 22.33 C ATOM 1142 O BGLY A 155 79.661 7.816 54.068 0.40 21.44 O ATOM 0 H BGLY A 155 80.136 7.481 58.168 0.40 23.04 H new ATOM 0 HA2BGLY A 155 78.415 7.804 56.221 0.40 22.75 H new ATOM 0 HA3BGLY A 155 79.382 8.905 56.755 0.40 22.75 H new ATOM 1143 N BILE A 156 81.503 7.801 55.353 0.40 22.01 N ATOM 1144 CA BILE A 156 82.432 7.661 54.233 0.40 22.73 C ATOM 1145 C BILE A 156 82.226 6.272 53.607 0.40 23.80 C ATOM 1146 O BILE A 156 82.091 6.137 52.384 0.40 21.45 O ATOM 1147 CB BILE A 156 83.893 7.849 54.736 0.40 24.51 C ATOM 1148 CG1BILE A 156 84.100 9.323 55.106 0.40 25.06 C ATOM 1149 CG2BILE A 156 84.902 7.370 53.687 0.40 25.90 C ATOM 1150 CD1BILE A 156 85.490 9.672 55.624 0.40 28.69 C ATOM 0 H BILE A 156 81.883 7.843 56.123 0.40 22.01 H new ATOM 0 HA BILE A 156 82.265 8.339 53.560 0.40 22.73 H new ATOM 0 HB BILE A 156 84.043 7.306 55.525 0.40 24.51 H new ATOM 0 HG12BILE A 156 83.916 9.867 54.324 0.40 25.06 H new ATOM 0 HG13BILE A 156 83.448 9.567 55.781 0.40 25.06 H new ATOM 0 HG21BILE A 156 85.803 7.497 54.023 0.40 25.90 H new ATOM 0 HG22BILE A 156 84.756 6.429 53.503 0.40 25.90 H new ATOM 0 HG23BILE A 156 84.787 7.880 52.870 0.40 25.90 H new ATOM 0 HD11BILE A 156 85.530 10.619 55.832 0.40 28.69 H new ATOM 0 HD12BILE A 156 85.676 9.157 56.425 0.40 28.69 H new ATOM 0 HD13BILE A 156 86.151 9.462 54.945 0.40 28.69 H new ATOM 1151 N BLYS A 157 82.187 5.246 54.456 0.40 23.63 N ATOM 1152 CA BLYS A 157 81.956 3.882 53.995 0.40 23.98 C ATOM 1153 C BLYS A 157 80.648 3.867 53.205 0.40 24.61 C ATOM 1154 O BLYS A 157 80.562 3.268 52.131 0.40 23.68 O ATOM 1155 CB BLYS A 157 81.857 2.934 55.200 0.40 25.63 C ATOM 1156 CG BLYS A 157 81.116 1.623 54.930 0.40 29.35 C ATOM 1157 CD BLYS A 157 81.840 0.740 53.954 0.40 31.66 C ATOM 1158 CE BLYS A 157 80.968 -0.448 53.538 0.40 36.39 C ATOM 1159 NZ BLYS A 157 80.498 -1.283 54.681 0.40 37.87 N ATOM 0 H BLYS A 157 82.293 5.321 55.306 0.40 23.63 H new ATOM 0 HA BLYS A 157 82.689 3.585 53.434 0.40 23.98 H new ATOM 0 HB2BLYS A 157 82.754 2.726 55.506 0.40 25.63 H new ATOM 0 HB3BLYS A 157 81.411 3.399 55.925 0.40 25.63 H new ATOM 0 HG2BLYS A 157 80.996 1.145 55.766 0.40 29.35 H new ATOM 0 HG3BLYS A 157 80.231 1.821 54.587 0.40 29.35 H new ATOM 0 HD2BLYS A 157 82.088 1.254 53.170 0.40 31.66 H new ATOM 0 HD3BLYS A 157 82.663 0.417 54.353 0.40 31.66 H new ATOM 0 HE2BLYS A 157 80.196 -0.117 53.052 0.40 36.39 H new ATOM 0 HE3BLYS A 157 81.470 -1.008 52.925 0.40 36.39 H new ATOM 0 HZ1BLYS A 157 80.073 -2.000 54.370 0.40 37.87 H new ATOM 0 HZ2BLYS A 157 81.197 -1.541 55.168 0.40 37.87 H new ATOM 0 HZ3BLYS A 157 79.943 -0.807 55.188 0.40 37.87 H new ATOM 1160 N BSER A 158 79.640 4.551 53.746 0.40 24.61 N ATOM 1161 CA BSER A 158 78.314 4.655 53.131 0.40 25.80 C ATOM 1162 C BSER A 158 78.332 5.359 51.769 0.40 24.65 C ATOM 1163 O BSER A 158 77.639 4.961 50.834 0.40 24.68 O ATOM 1164 CB BSER A 158 77.368 5.413 54.070 0.40 28.22 C ATOM 1165 OG BSER A 158 76.077 5.519 53.505 0.40 34.20 O ATOM 0 H BSER A 158 79.707 4.974 54.492 0.40 24.61 H new ATOM 0 HA BSER A 158 78.006 3.747 52.983 0.40 25.80 H new ATOM 0 HB2BSER A 158 77.316 4.954 54.923 0.40 28.22 H new ATOM 0 HB3BSER A 158 77.722 6.299 54.246 0.40 28.22 H new ATOM 0 HG BSER A 158 75.573 5.935 54.033 0.40 34.20 H new ATOM 1166 N BLEU A 159 79.114 6.419 51.660 0.40 22.74 N ATOM 1167 CA BLEU A 159 79.197 7.136 50.396 0.40 21.73 C ATOM 1168 C BLEU A 159 79.978 6.307 49.376 0.40 20.58 C ATOM 1169 O BLEU A 159 79.623 6.241 48.199 0.40 21.20 O ATOM 1170 CB BLEU A 159 79.895 8.483 50.589 0.40 20.14 C ATOM 1171 CG BLEU A 159 80.092 9.292 49.295 0.40 19.51 C ATOM 1172 CD1BLEU A 159 78.731 9.544 48.649 0.40 18.99 C ATOM 1173 CD2BLEU A 159 80.798 10.622 49.603 0.40 19.76 C ATOM 0 H BLEU A 159 79.599 6.738 52.294 0.40 22.74 H new ATOM 0 HA BLEU A 159 78.296 7.289 50.072 0.40 21.73 H new ATOM 0 HB2BLEU A 159 79.378 9.015 51.214 0.40 20.14 H new ATOM 0 HB3BLEU A 159 80.762 8.330 50.996 0.40 20.14 H new ATOM 0 HG BLEU A 159 80.649 8.790 48.680 0.40 19.51 H new ATOM 0 HD11BLEU A 159 78.850 10.054 47.832 0.40 18.99 H new ATOM 0 HD12BLEU A 159 78.309 8.696 48.441 0.40 18.99 H new ATOM 0 HD13BLEU A 159 78.169 10.043 49.262 0.40 18.99 H new ATOM 0 HD21BLEU A 159 80.917 11.123 48.781 0.40 19.76 H new ATOM 0 HD22BLEU A 159 80.259 11.139 50.222 0.40 19.76 H new ATOM 0 HD23BLEU A 159 81.665 10.444 50.001 0.40 19.76 H new ATOM 1174 N BTYR A 160 81.049 5.680 49.833 0.40 20.54 N ATOM 1175 CA BTYR A 160 81.858 4.883 48.935 0.40 21.18 C ATOM 1176 C BTYR A 160 81.038 3.769 48.303 0.40 21.25 C ATOM 1177 O BTYR A 160 81.116 3.525 47.096 0.40 20.55 O ATOM 1178 CB BTYR A 160 83.052 4.260 49.663 0.40 20.42 C ATOM 1179 CG BTYR A 160 83.834 3.335 48.754 0.40 22.06 C ATOM 1180 CD1BTYR A 160 84.755 3.846 47.835 0.40 21.76 C ATOM 1181 CD2BTYR A 160 83.577 1.954 48.734 0.40 22.14 C ATOM 1182 CE1BTYR A 160 85.399 3.013 46.908 0.40 19.14 C ATOM 1183 CE2BTYR A 160 84.212 1.114 47.808 0.40 21.46 C ATOM 1184 CZ BTYR A 160 85.118 1.652 46.898 0.40 21.28 C ATOM 1185 OH BTYR A 160 85.723 0.840 45.965 0.40 20.23 O ATOM 0 H BTYR A 160 81.321 5.703 50.649 0.40 20.54 H new ATOM 0 HA BTYR A 160 82.181 5.482 48.244 0.40 21.18 H new ATOM 0 HB2BTYR A 160 83.635 4.962 49.991 0.40 20.42 H new ATOM 0 HB3BTYR A 160 82.739 3.766 50.437 0.40 20.42 H new ATOM 0 HD1BTYR A 160 84.945 4.756 47.838 0.40 21.76 H new ATOM 0 HD2BTYR A 160 82.976 1.591 49.344 0.40 22.14 H new ATOM 0 HE1BTYR A 160 86.010 3.369 46.304 0.40 19.14 H new ATOM 0 HE2BTYR A 160 84.029 0.202 47.802 0.40 21.46 H new ATOM 0 HH BTYR A 160 85.465 0.048 46.074 0.40 20.23 H new ATOM 1186 N BVAL A 161 80.255 3.085 49.123 0.40 21.39 N ATOM 1187 CA BVAL A 161 79.450 1.987 48.622 0.40 22.67 C ATOM 1188 C BVAL A 161 78.428 2.415 47.581 0.40 23.37 C ATOM 1189 O BVAL A 161 78.269 1.741 46.560 0.40 23.44 O ATOM 1190 CB BVAL A 161 78.768 1.241 49.787 0.40 24.19 C ATOM 1191 CG1BVAL A 161 77.661 0.317 49.261 0.40 24.63 C ATOM 1192 CG2BVAL A 161 79.831 0.432 50.538 0.40 21.68 C ATOM 0 H BVAL A 161 80.176 3.239 49.965 0.40 21.39 H new ATOM 0 HA BVAL A 161 80.059 1.383 48.169 0.40 22.67 H new ATOM 0 HB BVAL A 161 78.357 1.881 50.389 0.40 24.19 H new ATOM 0 HG11BVAL A 161 77.243 -0.144 50.005 0.40 24.63 H new ATOM 0 HG12BVAL A 161 76.995 0.844 48.792 0.40 24.63 H new ATOM 0 HG13BVAL A 161 78.044 -0.334 48.653 0.40 24.63 H new ATOM 0 HG21BVAL A 161 79.416 -0.043 51.275 0.40 21.68 H new ATOM 0 HG22BVAL A 161 80.240 -0.206 49.932 0.40 21.68 H new ATOM 0 HG23BVAL A 161 80.511 1.032 50.883 0.40 21.68 H new ATOM 1193 N BARG A 162 77.740 3.528 47.810 0.40 22.92 N ATOM 1194 CA BARG A 162 76.796 4.161 46.774 0.40 25.14 C ATOM 1195 C BARG A 162 77.416 4.483 45.543 0.40 23.87 C ATOM 1196 O BARG A 162 76.849 4.332 44.461 0.40 22.42 O ATOM 1197 CB BARG A 162 76.148 5.410 47.378 0.40 27.50 C ATOM 1198 CG BARG A 162 75.012 5.965 46.551 0.40 35.22 C ATOM 1199 CD BARG A 162 74.216 7.025 47.308 0.40 39.10 C ATOM 1200 NE BARG A 162 73.686 6.524 48.574 0.40 42.98 N ATOM 1201 CZ BARG A 162 74.331 6.584 49.735 0.40 44.06 C ATOM 1202 NH1BARG A 162 75.538 7.129 49.801 0.40 45.64 N ATOM 1203 NH2BARG A 162 73.769 6.095 50.834 0.40 45.45 N ATOM 0 H BARG A 162 77.781 3.962 48.551 0.40 22.92 H new ATOM 0 HA BARG A 162 76.128 3.490 46.563 0.40 25.14 H new ATOM 0 HB2BARG A 162 75.818 5.197 48.265 0.40 27.50 H new ATOM 0 HB3BARG A 162 76.825 6.096 47.485 0.40 27.50 H new ATOM 0 HG2BARG A 162 75.366 6.350 45.734 0.40 35.22 H new ATOM 0 HG3BARG A 162 74.420 5.242 46.290 0.40 35.22 H new ATOM 0 HD2BARG A 162 74.785 7.792 47.479 0.40 39.10 H new ATOM 0 HD3BARG A 162 73.483 7.333 46.753 0.40 39.10 H new ATOM 0 HE BARG A 162 72.904 6.166 48.568 0.40 42.98 H new ATOM 0 HH11BARG A 162 75.906 7.445 49.091 0.40 45.64 H new ATOM 0 HH12BARG A 162 75.952 7.166 50.554 0.40 45.64 H new ATOM 0 HH21BARG A 162 72.987 5.739 50.795 0.40 45.45 H new ATOM 0 HH22BARG A 162 74.187 6.134 51.585 0.40 45.45 H new ATOM 1204 N BLEU A 163 78.603 5.084 45.660 0.40 22.75 N ATOM 1205 CA BLEU A 163 79.324 5.584 44.488 0.40 21.80 C ATOM 1206 C BLEU A 163 79.971 4.402 43.765 0.40 22.13 C ATOM 1207 O BLEU A 163 80.054 4.377 42.537 0.40 21.06 O ATOM 1208 CB BLEU A 163 80.398 6.604 44.898 0.40 20.30 C ATOM 1209 CG BLEU A 163 79.885 7.958 45.408 0.40 19.94 C ATOM 1210 CD1BLEU A 163 81.062 8.924 45.592 0.40 19.80 C ATOM 1211 CD2BLEU A 163 78.877 8.545 44.418 0.40 21.03 C ATOM 0 H BLEU A 163 79.007 5.211 46.409 0.40 22.75 H new ATOM 0 HA BLEU A 163 78.699 6.032 43.897 0.40 21.80 H new ATOM 0 HB2BLEU A 163 80.949 6.206 45.590 0.40 20.30 H new ATOM 0 HB3BLEU A 163 80.974 6.764 44.134 0.40 20.30 H new ATOM 0 HG BLEU A 163 79.445 7.827 46.262 0.40 19.94 H new ATOM 0 HD11BLEU A 163 80.733 9.778 45.914 0.40 19.80 H new ATOM 0 HD12BLEU A 163 81.686 8.555 46.236 0.40 19.80 H new ATOM 0 HD13BLEU A 163 81.512 9.051 44.742 0.40 19.80 H new ATOM 0 HD21BLEU A 163 78.559 9.400 44.748 0.40 21.03 H new ATOM 0 HD22BLEU A 163 79.305 8.671 43.557 0.40 21.03 H new ATOM 0 HD23BLEU A 163 78.127 7.937 44.320 0.40 21.03 H new ATOM 1212 N BARG A 164 80.434 3.428 44.540 0.40 20.89 N ATOM 1213 CA BARG A 164 81.031 2.228 43.975 0.40 21.24 C ATOM 1214 C BARG A 164 79.974 1.479 43.164 0.40 21.74 C ATOM 1215 O BARG A 164 80.232 1.053 42.048 0.40 22.25 O ATOM 1216 CB BARG A 164 81.544 1.300 45.085 0.40 21.22 C ATOM 1217 CG BARG A 164 81.990 -0.069 44.576 0.40 20.11 C ATOM 1218 CD BARG A 164 81.929 -1.137 45.666 0.40 21.15 C ATOM 1219 NE BARG A 164 80.560 -1.504 46.010 0.40 22.18 N ATOM 1220 CZ BARG A 164 80.240 -2.357 46.982 0.40 25.80 C ATOM 1221 NH1BARG A 164 81.193 -2.926 47.710 0.40 24.74 N ATOM 1222 NH2BARG A 164 78.969 -2.652 47.218 0.40 25.12 N ATOM 0 H BARG A 164 80.411 3.444 45.400 0.40 20.89 H new ATOM 0 HA BARG A 164 81.776 2.490 43.411 0.40 21.24 H new ATOM 0 HB2BARG A 164 82.289 1.728 45.536 0.40 21.22 H new ATOM 0 HB3BARG A 164 80.844 1.179 45.745 0.40 21.22 H new ATOM 0 HG2BARG A 164 81.427 -0.335 43.833 0.40 20.11 H new ATOM 0 HG3BARG A 164 82.897 -0.007 44.237 0.40 20.11 H new ATOM 0 HD2BARG A 164 82.408 -1.927 45.369 0.40 21.15 H new ATOM 0 HD3BARG A 164 82.383 -0.812 46.459 0.40 21.15 H new ATOM 0 HE BARG A 164 79.921 -1.148 45.558 0.40 22.18 H new ATOM 0 HH11BARG A 164 82.019 -2.744 47.555 0.40 24.74 H new ATOM 0 HH12BARG A 164 80.984 -3.476 48.337 0.40 24.74 H new ATOM 0 HH21BARG A 164 78.349 -2.292 46.743 0.40 25.12 H new ATOM 0 HH22BARG A 164 78.765 -3.203 47.846 0.40 25.12 H new ATOM 1223 N BASN A 165 78.786 1.308 43.744 0.40 21.32 N ATOM 1224 CA BASN A 165 77.691 0.597 43.076 0.40 22.16 C ATOM 1225 C BASN A 165 77.261 1.285 41.791 0.40 21.82 C ATOM 1226 O BASN A 165 77.061 0.635 40.762 0.40 20.55 O ATOM 1227 CB BASN A 165 76.488 0.465 44.015 0.40 22.04 C ATOM 1228 CG BASN A 165 76.702 -0.590 45.082 0.40 23.07 C ATOM 1229 OD1BASN A 165 77.773 -1.194 45.177 0.40 24.65 O ATOM 1230 ND2BASN A 165 75.677 -0.817 45.895 0.40 25.10 N ATOM 0 H BASN A 165 78.591 1.598 44.530 0.40 21.32 H new ATOM 0 HA BASN A 165 78.024 -0.284 42.845 0.40 22.16 H new ATOM 0 HB2BASN A 165 76.316 1.320 44.439 0.40 22.04 H new ATOM 0 HB3BASN A 165 75.699 0.242 43.497 0.40 22.04 H new ATOM 0 HD21BASN A 165 75.745 -1.405 46.519 0.40 25.10 H new ATOM 0 HD22BASN A 165 74.945 -0.376 45.798 0.40 25.10 H new ATOM 1231 N BLEU A 166 77.090 2.599 41.864 0.40 20.46 N ATOM 1232 CA BLEU A 166 76.713 3.366 40.686 0.40 20.51 C ATOM 1233 C BLEU A 166 77.741 3.117 39.582 0.40 19.91 C ATOM 1234 O BLEU A 166 77.396 2.854 38.433 0.40 19.95 O ATOM 1235 CB BLEU A 166 76.692 4.864 41.012 0.40 19.84 C ATOM 1236 CG BLEU A 166 76.314 5.754 39.826 0.40 22.05 C ATOM 1237 CD1BLEU A 166 74.821 5.592 39.539 0.40 24.51 C ATOM 1238 CD2BLEU A 166 76.633 7.209 40.130 0.40 26.28 C ATOM 0 H BLEU A 166 77.187 3.063 42.582 0.40 20.46 H new ATOM 0 HA BLEU A 166 75.829 3.089 40.397 0.40 20.51 H new ATOM 0 HB2BLEU A 166 76.064 5.020 41.734 0.40 19.84 H new ATOM 0 HB3BLEU A 166 77.568 5.127 41.336 0.40 19.84 H new ATOM 0 HG BLEU A 166 76.828 5.488 39.048 0.40 22.05 H new ATOM 0 HD11BLEU A 166 74.573 6.153 38.788 0.40 24.51 H new ATOM 0 HD12BLEU A 166 74.631 4.665 39.326 0.40 24.51 H new ATOM 0 HD13BLEU A 166 74.311 5.855 40.321 0.40 24.51 H new ATOM 0 HD21BLEU A 166 76.388 7.760 39.370 0.40 26.28 H new ATOM 0 HD22BLEU A 166 76.132 7.494 40.910 0.40 26.28 H new ATOM 0 HD23BLEU A 166 77.583 7.303 40.304 0.40 26.28 H new ATOM 1239 N BTHR A 167 79.011 3.210 39.956 0.40 20.20 N ATOM 1240 CA BTHR A 167 80.135 3.034 39.043 0.40 19.16 C ATOM 1241 C BTHR A 167 80.253 1.643 38.455 0.40 19.99 C ATOM 1242 O BTHR A 167 80.334 1.483 37.239 0.40 20.03 O ATOM 1243 CB BTHR A 167 81.466 3.413 39.751 0.40 19.84 C ATOM 1244 OG1BTHR A 167 81.419 4.799 40.129 0.40 18.89 O ATOM 1245 CG2BTHR A 167 82.667 3.194 38.824 0.40 19.06 C ATOM 0 H BTHR A 167 79.249 3.381 40.764 0.40 20.20 H new ATOM 0 HA BTHR A 167 79.959 3.629 38.298 0.40 19.16 H new ATOM 0 HB BTHR A 167 81.569 2.847 40.532 0.40 19.84 H new ATOM 0 HG1BTHR A 167 81.035 4.874 40.872 0.40 18.89 H new ATOM 0 HG21BTHR A 167 83.483 3.437 39.288 0.40 19.06 H new ATOM 0 HG22BTHR A 167 82.709 2.260 38.564 0.40 19.06 H new ATOM 0 HG23BTHR A 167 82.570 3.746 38.032 0.40 19.06 H new ATOM 1246 N BVAL A 168 80.270 0.623 39.302 0.40 19.91 N ATOM 1247 CA BVAL A 168 80.383 -0.734 38.778 0.40 20.04 C ATOM 1248 C BVAL A 168 79.260 -1.035 37.787 0.40 20.11 C ATOM 1249 O BVAL A 168 79.508 -1.390 36.641 0.40 21.69 O ATOM 1250 CB BVAL A 168 80.360 -1.776 39.912 0.40 20.18 C ATOM 1251 CG1BVAL A 168 80.134 -3.189 39.333 0.40 23.10 C ATOM 1252 CG2BVAL A 168 81.687 -1.737 40.655 0.40 22.79 C ATOM 0 H BVAL A 168 80.219 0.688 40.158 0.40 19.91 H new ATOM 0 HA BVAL A 168 81.235 -0.792 38.318 0.40 20.04 H new ATOM 0 HB BVAL A 168 79.635 -1.567 40.522 0.40 20.18 H new ATOM 0 HG11BVAL A 168 80.121 -3.837 40.055 0.40 23.10 H new ATOM 0 HG12BVAL A 168 79.287 -3.214 38.862 0.40 23.10 H new ATOM 0 HG13BVAL A 168 80.852 -3.405 38.718 0.40 23.10 H new ATOM 0 HG21BVAL A 168 81.677 -2.392 41.370 0.40 22.79 H new ATOM 0 HG22BVAL A 168 82.409 -1.942 40.040 0.40 22.79 H new ATOM 0 HG23BVAL A 168 81.823 -0.852 41.029 0.40 22.79 H new ATOM 1253 N BILE A 169 78.020 -0.867 38.224 0.40 19.80 N ATOM 1254 CA BILE A 169 76.881 -1.151 37.370 0.40 19.43 C ATOM 1255 C BILE A 169 76.840 -0.372 36.059 0.40 19.26 C ATOM 1256 O BILE A 169 76.657 -0.960 34.995 0.40 17.03 O ATOM 1257 CB BILE A 169 75.554 -0.903 38.130 0.40 21.12 C ATOM 1258 CG1BILE A 169 75.465 -1.860 39.324 0.40 24.92 C ATOM 1259 CG2BILE A 169 74.364 -1.093 37.193 0.40 23.19 C ATOM 1260 CD1BILE A 169 74.379 -1.495 40.320 0.40 26.23 C ATOM 0 H BILE A 169 77.818 -0.589 39.012 0.40 19.80 H new ATOM 0 HA BILE A 169 76.988 -2.086 37.133 0.40 19.43 H new ATOM 0 HB BILE A 169 75.535 0.010 38.457 0.40 21.12 H new ATOM 0 HG12BILE A 169 75.303 -2.759 38.997 0.40 24.92 H new ATOM 0 HG13BILE A 169 76.320 -1.874 39.781 0.40 24.92 H new ATOM 0 HG21BILE A 169 73.540 -0.935 37.680 0.40 23.19 H new ATOM 0 HG22BILE A 169 74.429 -0.466 36.456 0.40 23.19 H new ATOM 0 HG23BILE A 169 74.366 -1.999 36.847 0.40 23.19 H new ATOM 0 HD11BILE A 169 74.377 -2.137 41.047 0.40 26.23 H new ATOM 0 HD12BILE A 169 74.549 -0.608 40.674 0.40 26.23 H new ATOM 0 HD13BILE A 169 73.516 -1.506 39.877 0.40 26.23 H new ATOM 1261 N BLEU A 170 77.006 0.947 36.118 0.40 16.97 N ATOM 1262 CA BLEU A 170 76.923 1.719 34.885 0.40 16.47 C ATOM 1263 C BLEU A 170 78.109 1.574 33.936 0.40 15.41 C ATOM 1264 O BLEU A 170 77.919 1.581 32.721 0.40 16.56 O ATOM 1265 CB BLEU A 170 76.640 3.202 35.197 0.40 17.72 C ATOM 1266 CG BLEU A 170 75.254 3.454 35.821 0.40 19.50 C ATOM 1267 CD1BLEU A 170 74.976 4.960 35.867 0.40 19.49 C ATOM 1268 CD2BLEU A 170 74.159 2.754 35.005 0.40 21.52 C ATOM 0 H BLEU A 170 77.162 1.399 36.833 0.40 16.97 H new ATOM 0 HA BLEU A 170 76.179 1.333 34.397 0.40 16.47 H new ATOM 0 HB2BLEU A 170 77.322 3.532 35.802 0.40 17.72 H new ATOM 0 HB3BLEU A 170 76.715 3.716 34.378 0.40 17.72 H new ATOM 0 HG BLEU A 170 75.249 3.093 36.721 0.40 19.50 H new ATOM 0 HD11BLEU A 170 74.103 5.116 36.260 0.40 19.49 H new ATOM 0 HD12BLEU A 170 75.655 5.398 36.403 0.40 19.49 H new ATOM 0 HD13BLEU A 170 74.994 5.320 34.967 0.40 19.49 H new ATOM 0 HD21BLEU A 170 73.295 2.923 35.411 0.40 21.52 H new ATOM 0 HD22BLEU A 170 74.162 3.097 34.098 0.40 21.52 H new ATOM 0 HD23BLEU A 170 74.327 1.799 34.989 0.40 21.52 H new ATOM 1269 N BTRP A 171 79.322 1.446 34.469 0.40 14.76 N ATOM 1270 CA BTRP A 171 80.496 1.275 33.619 0.40 14.71 C ATOM 1271 C BTRP A 171 80.398 -0.057 32.871 0.40 15.87 C ATOM 1272 O BTRP A 171 80.877 -0.175 31.748 0.40 15.28 O ATOM 1273 CB BTRP A 171 81.781 1.272 34.456 0.40 15.35 C ATOM 1274 CG BTRP A 171 82.240 2.635 34.941 0.40 17.12 C ATOM 1275 CD1BTRP A 171 81.453 3.689 35.295 0.40 16.02 C ATOM 1276 CD2BTRP A 171 83.599 3.032 35.216 0.40 17.45 C ATOM 1277 NE1BTRP A 171 82.234 4.721 35.780 0.40 18.35 N ATOM 1278 CE2BTRP A 171 83.555 4.343 35.739 0.40 17.84 C ATOM 1279 CE3BTRP A 171 84.845 2.402 35.071 0.40 18.22 C ATOM 1280 CZ2BTRP A 171 84.717 5.046 36.121 0.40 16.52 C ATOM 1281 CZ3BTRP A 171 86.006 3.103 35.455 0.40 18.79 C ATOM 1282 CH2BTRP A 171 85.925 4.414 35.974 0.40 18.79 C ATOM 0 H BTRP A 171 79.485 1.455 35.313 0.40 14.76 H new ATOM 0 HA BTRP A 171 80.526 2.015 32.992 0.40 14.71 H new ATOM 0 HB2BTRP A 171 81.646 0.699 35.227 0.40 15.35 H new ATOM 0 HB3BTRP A 171 82.492 0.876 33.929 0.40 15.35 H new ATOM 0 HD1BTRP A 171 80.526 3.711 35.221 0.40 16.02 H new ATOM 0 HE1BTRP A 171 81.940 5.478 36.062 0.40 18.35 H new ATOM 0 HE3BTRP A 171 84.903 1.539 34.728 0.40 18.22 H new ATOM 0 HZ2BTRP A 171 84.665 5.910 36.461 0.40 16.52 H new ATOM 0 HZ3BTRP A 171 86.838 2.696 35.365 0.40 18.79 H new ATOM 0 HH2BTRP A 171 86.705 4.857 36.220 0.40 18.79 H new ATOM 1283 N BALA A 172 79.776 -1.053 33.505 0.40 15.96 N ATOM 1284 CA BALA A 172 79.623 -2.381 32.899 0.40 16.55 C ATOM 1285 C BALA A 172 78.767 -2.323 31.645 0.40 18.44 C ATOM 1286 O BALA A 172 78.730 -3.274 30.861 0.40 20.07 O ATOM 1287 CB BALA A 172 78.996 -3.365 33.915 0.40 16.29 C ATOM 0 H BALA A 172 79.434 -0.981 34.291 0.40 15.96 H new ATOM 0 HA BALA A 172 80.506 -2.695 32.649 0.40 16.55 H new ATOM 0 HB1BALA A 172 78.900 -4.238 33.503 0.40 16.29 H new ATOM 0 HB2BALA A 172 79.570 -3.436 34.693 0.40 16.29 H new ATOM 0 HB3BALA A 172 78.124 -3.038 34.186 0.40 16.29 H new ATOM 1288 N BILE A 173 78.083 -1.200 31.453 0.40 18.35 N ATOM 1289 CA BILE A 173 77.229 -1.029 30.293 0.40 18.26 C ATOM 1290 C BILE A 173 77.993 -0.484 29.077 0.40 19.80 C ATOM 1291 O BILE A 173 77.651 -0.795 27.940 0.40 18.31 O ATOM 1292 CB BILE A 173 76.019 -0.107 30.643 0.40 21.24 C ATOM 1293 CG1BILE A 173 75.203 -0.740 31.773 0.40 20.19 C ATOM 1294 CG2BILE A 173 75.127 0.105 29.424 0.40 21.14 C ATOM 1295 CD1BILE A 173 74.138 0.178 32.337 0.40 24.18 C ATOM 0 H BILE A 173 78.102 -0.526 31.986 0.40 18.35 H new ATOM 0 HA BILE A 173 76.899 -1.907 30.047 0.40 18.26 H new ATOM 0 HB BILE A 173 76.361 0.755 30.927 0.40 21.24 H new ATOM 0 HG12BILE A 173 74.781 -1.549 31.444 0.40 20.19 H new ATOM 0 HG13BILE A 173 75.804 -1.004 32.487 0.40 20.19 H new ATOM 0 HG21BILE A 173 74.383 0.680 29.663 0.40 21.14 H new ATOM 0 HG22BILE A 173 75.641 0.521 28.715 0.40 21.14 H new ATOM 0 HG23BILE A 173 74.789 -0.751 29.118 0.40 21.14 H new ATOM 0 HD11BILE A 173 73.659 -0.279 33.045 0.40 24.18 H new ATOM 0 HD12BILE A 173 74.556 0.978 32.693 0.40 24.18 H new ATOM 0 HD13BILE A 173 73.517 0.424 31.634 0.40 24.18 H new ATOM 1296 N BTYR A 174 79.041 0.308 29.307 0.40 18.15 N ATOM 1297 CA BTYR A 174 79.801 0.857 28.187 0.40 17.21 C ATOM 1298 C BTYR A 174 80.342 -0.192 27.184 0.40 15.52 C ATOM 1299 O BTYR A 174 80.321 0.037 25.982 0.40 14.68 O ATOM 1300 CB BTYR A 174 80.963 1.721 28.691 0.40 16.33 C ATOM 1301 CG BTYR A 174 80.540 3.066 29.254 0.40 16.56 C ATOM 1302 CD1BTYR A 174 79.977 3.164 30.522 0.40 17.33 C ATOM 1303 CD2BTYR A 174 80.746 4.246 28.532 0.40 18.35 C ATOM 1304 CE1BTYR A 174 79.635 4.406 31.074 0.40 16.79 C ATOM 1305 CE2BTYR A 174 80.404 5.498 29.072 0.40 16.97 C ATOM 1306 CZ BTYR A 174 79.851 5.566 30.347 0.40 17.71 C ATOM 1307 OH BTYR A 174 79.521 6.789 30.900 0.40 16.17 O ATOM 0 H BTYR A 174 79.323 0.535 30.087 0.40 18.15 H new ATOM 0 HA BTYR A 174 79.158 1.393 27.696 0.40 17.21 H new ATOM 0 HB2BTYR A 174 81.443 1.231 29.377 0.40 16.33 H new ATOM 0 HB3BTYR A 174 81.584 1.868 27.960 0.40 16.33 H new ATOM 0 HD1BTYR A 174 79.824 2.389 31.014 0.40 17.33 H new ATOM 0 HD2BTYR A 174 81.116 4.202 27.680 0.40 18.35 H new ATOM 0 HE1BTYR A 174 79.264 4.452 31.926 0.40 16.79 H new ATOM 0 HE2BTYR A 174 80.546 6.275 28.581 0.40 16.97 H new ATOM 0 HH BTYR A 174 79.779 7.406 30.391 0.40 16.17 H new ATOM 1308 N BPRO A 175 80.861 -1.332 27.667 0.40 15.06 N ATOM 1309 CA BPRO A 175 81.359 -2.304 26.682 0.40 16.49 C ATOM 1310 C BPRO A 175 80.301 -2.910 25.746 0.40 16.93 C ATOM 1311 O BPRO A 175 80.629 -3.322 24.631 0.40 17.72 O ATOM 1312 CB BPRO A 175 82.087 -3.357 27.541 0.40 14.48 C ATOM 1313 CG BPRO A 175 81.502 -3.186 28.908 0.40 14.38 C ATOM 1314 CD BPRO A 175 81.314 -1.683 29.024 0.40 13.38 C ATOM 0 HA BPRO A 175 81.938 -1.869 26.037 0.40 16.49 H new ATOM 0 HB2BPRO A 175 81.939 -4.254 27.202 0.40 14.48 H new ATOM 0 HB3BPRO A 175 83.046 -3.209 27.545 0.40 14.48 H new ATOM 0 HG2BPRO A 175 80.660 -3.660 28.999 0.40 14.38 H new ATOM 0 HG3BPRO A 175 82.095 -3.527 29.596 0.40 14.38 H new ATOM 0 HD2BPRO A 175 80.658 -1.449 29.699 0.40 13.38 H new ATOM 0 HD3BPRO A 175 82.138 -1.230 29.261 0.40 13.38 H new ATOM 1315 N BPHE A 176 79.042 -2.964 26.183 0.40 17.15 N ATOM 1316 CA BPHE A 176 77.975 -3.489 25.325 0.40 19.00 C ATOM 1317 C BPHE A 176 77.689 -2.488 24.215 0.40 17.54 C ATOM 1318 O BPHE A 176 77.470 -2.852 23.059 0.40 17.44 O ATOM 1319 CB BPHE A 176 76.698 -3.724 26.137 0.40 22.66 C ATOM 1320 CG BPHE A 176 76.790 -4.882 27.069 0.40 27.52 C ATOM 1321 CD1BPHE A 176 76.841 -6.181 26.571 0.40 30.51 C ATOM 1322 CD2BPHE A 176 76.830 -4.684 28.441 0.40 30.95 C ATOM 1323 CE1BPHE A 176 76.931 -7.273 27.434 0.40 34.30 C ATOM 1324 CE2BPHE A 176 76.920 -5.766 29.317 0.40 34.29 C ATOM 1325 CZ BPHE A 176 76.970 -7.064 28.811 0.40 35.45 C ATOM 0 H BPHE A 176 78.786 -2.706 26.962 0.40 17.15 H new ATOM 0 HA BPHE A 176 78.263 -4.334 24.947 0.40 19.00 H new ATOM 0 HB2BPHE A 176 76.495 -2.924 26.646 0.40 22.66 H new ATOM 0 HB3BPHE A 176 75.957 -3.867 25.527 0.40 22.66 H new ATOM 0 HD1BPHE A 176 76.815 -6.322 25.652 0.40 30.51 H new ATOM 0 HD2BPHE A 176 76.796 -3.819 28.781 0.40 30.95 H new ATOM 0 HE1BPHE A 176 76.965 -8.137 27.092 0.40 34.30 H new ATOM 0 HE2BPHE A 176 76.947 -5.622 30.235 0.40 34.29 H new ATOM 0 HZ BPHE A 176 77.029 -7.789 29.391 0.40 35.45 H new ATOM 1326 N BILE A 177 77.680 -1.214 24.579 0.40 15.78 N ATOM 1327 CA BILE A 177 77.443 -0.166 23.602 0.40 16.22 C ATOM 1328 C BILE A 177 78.628 -0.116 22.640 0.40 16.03 C ATOM 1329 O BILE A 177 78.459 0.140 21.449 0.40 17.66 O ATOM 1330 CB BILE A 177 77.261 1.193 24.306 0.40 16.30 C ATOM 1331 CG1BILE A 177 76.027 1.124 25.224 0.40 18.15 C ATOM 1332 CG2BILE A 177 77.107 2.318 23.270 0.40 17.78 C ATOM 1333 CD1BILE A 177 75.956 2.270 26.242 0.40 19.52 C ATOM 0 H BILE A 177 77.808 -0.937 25.383 0.40 15.78 H new ATOM 0 HA BILE A 177 76.631 -0.357 23.108 0.40 16.22 H new ATOM 0 HB BILE A 177 78.046 1.388 24.841 0.40 16.30 H new ATOM 0 HG12BILE A 177 75.225 1.136 24.678 0.40 18.15 H new ATOM 0 HG13BILE A 177 76.033 0.279 25.700 0.40 18.15 H new ATOM 0 HG21BILE A 177 76.993 3.166 23.727 0.40 17.78 H new ATOM 0 HG22BILE A 177 77.900 2.355 22.712 0.40 17.78 H new ATOM 0 HG23BILE A 177 76.330 2.144 22.716 0.40 17.78 H new ATOM 0 HD11BILE A 177 75.160 2.170 26.787 0.40 19.52 H new ATOM 0 HD12BILE A 177 76.742 2.247 26.810 0.40 19.52 H new ATOM 0 HD13BILE A 177 75.921 3.118 25.773 0.40 19.52 H new ATOM 1334 N BTRP A 178 79.832 -0.365 23.145 0.40 16.18 N ATOM 1335 CA BTRP A 178 81.018 -0.363 22.279 0.40 15.53 C ATOM 1336 C BTRP A 178 80.893 -1.543 21.301 0.40 15.86 C ATOM 1337 O BTRP A 178 81.030 -1.371 20.091 0.40 13.87 O ATOM 1338 CB BTRP A 178 82.290 -0.511 23.130 0.40 17.61 C ATOM 1339 CG BTRP A 178 83.603 -0.322 22.394 0.40 19.09 C ATOM 1340 CD1BTRP A 178 84.428 0.777 22.439 0.40 19.90 C ATOM 1341 CD2BTRP A 178 84.263 -1.280 21.551 0.40 20.40 C ATOM 1342 NE1BTRP A 178 85.560 0.554 21.688 0.40 20.66 N ATOM 1343 CE2BTRP A 178 85.482 -0.698 21.128 0.40 20.55 C ATOM 1344 CE3BTRP A 178 83.944 -2.573 21.115 0.40 19.72 C ATOM 1345 CZ2BTRP A 178 86.383 -1.367 20.288 0.40 21.68 C ATOM 1346 CZ3BTRP A 178 84.845 -3.244 20.274 0.40 21.11 C ATOM 1347 CH2BTRP A 178 86.047 -2.635 19.873 0.40 20.65 C ATOM 0 H BTRP A 178 79.988 -0.536 23.973 0.40 16.18 H new ATOM 0 HA BTRP A 178 81.077 0.472 21.789 0.40 15.53 H new ATOM 0 HB2BTRP A 178 82.250 0.132 23.855 0.40 17.61 H new ATOM 0 HB3BTRP A 178 82.289 -1.394 23.533 0.40 17.61 H new ATOM 0 HD1BTRP A 178 84.247 1.559 22.909 0.40 19.90 H new ATOM 0 HE1BTRP A 178 86.210 1.108 21.586 0.40 20.66 H new ATOM 0 HE3BTRP A 178 83.150 -2.979 21.378 0.40 19.72 H new ATOM 0 HZ2BTRP A 178 87.179 -0.968 20.021 0.40 21.68 H new ATOM 0 HZ3BTRP A 178 84.644 -4.103 19.978 0.40 21.11 H new ATOM 0 HH2BTRP A 178 86.628 -3.100 19.315 0.40 20.65 H new ATOM 1348 N BLEU A 179 80.615 -2.734 21.836 0.40 15.86 N ATOM 1349 CA BLEU A 179 80.467 -3.944 21.016 0.40 17.02 C ATOM 1350 C BLEU A 179 79.302 -3.880 20.016 0.40 17.71 C ATOM 1351 O BLEU A 179 79.419 -4.323 18.878 0.40 17.48 O ATOM 1352 CB BLEU A 179 80.237 -5.173 21.905 0.40 20.04 C ATOM 1353 CG BLEU A 179 81.395 -6.104 22.289 0.40 23.36 C ATOM 1354 CD1BLEU A 179 80.861 -7.226 23.184 0.40 25.27 C ATOM 1355 CD2BLEU A 179 82.040 -6.688 21.041 0.40 24.36 C ATOM 0 H BLEU A 179 80.507 -2.865 22.679 0.40 15.86 H new ATOM 0 HA BLEU A 179 81.296 -4.010 20.516 0.40 17.02 H new ATOM 0 HB2BLEU A 179 79.843 -4.854 22.732 0.40 20.04 H new ATOM 0 HB3BLEU A 179 79.568 -5.720 21.465 0.40 20.04 H new ATOM 0 HG BLEU A 179 82.068 -5.599 22.771 0.40 23.36 H new ATOM 0 HD11BLEU A 179 81.589 -7.818 23.430 0.40 25.27 H new ATOM 0 HD12BLEU A 179 80.471 -6.843 23.985 0.40 25.27 H new ATOM 0 HD13BLEU A 179 80.184 -7.729 22.704 0.40 25.27 H new ATOM 0 HD21BLEU A 179 82.769 -7.274 21.297 0.40 24.36 H new ATOM 0 HD22BLEU A 179 81.380 -7.194 20.542 0.40 24.36 H new ATOM 0 HD23BLEU A 179 82.383 -5.969 20.487 0.40 24.36 H new ATOM 1356 N BLEU A 180 78.167 -3.359 20.456 0.40 18.31 N ATOM 1357 CA BLEU A 180 76.995 -3.295 19.591 0.40 20.28 C ATOM 1358 C BLEU A 180 77.009 -2.085 18.684 0.40 20.14 C ATOM 1359 O BLEU A 180 76.399 -2.095 17.615 0.40 21.31 O ATOM 1360 CB BLEU A 180 75.725 -3.291 20.439 0.40 21.91 C ATOM 1361 CG BLEU A 180 75.593 -4.533 21.321 0.40 24.20 C ATOM 1362 CD1BLEU A 180 74.303 -4.456 22.143 0.40 27.53 C ATOM 1363 CD2BLEU A 180 75.609 -5.784 20.430 0.40 27.42 C ATOM 0 H BLEU A 180 78.052 -3.039 21.246 0.40 18.31 H new ATOM 0 HA BLEU A 180 77.014 -4.081 19.023 0.40 20.28 H new ATOM 0 HB2BLEU A 180 75.719 -2.500 21.000 0.40 21.91 H new ATOM 0 HB3BLEU A 180 74.952 -3.231 19.856 0.40 21.91 H new ATOM 0 HG BLEU A 180 76.338 -4.581 21.941 0.40 24.20 H new ATOM 0 HD11BLEU A 180 74.226 -5.247 22.700 0.40 27.53 H new ATOM 0 HD12BLEU A 180 74.324 -3.666 22.705 0.40 27.53 H new ATOM 0 HD13BLEU A 180 73.541 -4.407 21.545 0.40 27.53 H new ATOM 0 HD21BLEU A 180 75.526 -6.577 20.983 0.40 27.42 H new ATOM 0 HD22BLEU A 180 74.868 -5.746 19.806 0.40 27.42 H new ATOM 0 HD23BLEU A 180 76.444 -5.820 19.938 0.40 27.42 H new ATOM 1364 N BGLY A 181 77.722 -1.049 19.112 0.40 19.18 N ATOM 1365 CA BGLY A 181 77.789 0.174 18.339 0.40 17.58 C ATOM 1366 C BGLY A 181 78.836 0.185 17.247 0.40 17.89 C ATOM 1367 O BGLY A 181 79.425 -0.853 16.933 0.40 17.41 O ATOM 0 H BGLY A 181 78.171 -1.038 19.845 0.40 19.18 H new ATOM 0 HA2BGLY A 181 76.921 0.335 17.937 0.40 17.58 H new ATOM 0 HA3BGLY A 181 77.963 0.913 18.943 0.40 17.58 H new ATOM 1368 N BPRO A 182 79.101 1.365 16.664 0.40 18.68 N ATOM 1369 CA BPRO A 182 80.070 1.606 15.581 0.40 19.89 C ATOM 1370 C BPRO A 182 81.446 0.940 15.759 0.40 19.54 C ATOM 1371 O BPRO A 182 81.984 0.353 14.812 0.40 20.47 O ATOM 1372 CB BPRO A 182 80.163 3.135 15.530 0.40 20.36 C ATOM 1373 CG BPRO A 182 78.765 3.579 15.952 0.40 21.38 C ATOM 1374 CD BPRO A 182 78.503 2.635 17.130 0.40 18.95 C ATOM 0 HA BPRO A 182 79.769 1.200 14.753 0.40 19.89 H new ATOM 0 HB2BPRO A 182 80.844 3.474 16.132 0.40 20.36 H new ATOM 0 HB3BPRO A 182 80.387 3.452 14.641 0.40 20.36 H new ATOM 0 HG2BPRO A 182 78.740 4.512 16.217 0.40 21.38 H new ATOM 0 HG3BPRO A 182 78.114 3.468 15.241 0.40 21.38 H new ATOM 0 HD2BPRO A 182 78.920 2.952 17.946 0.40 18.95 H new ATOM 0 HD3BPRO A 182 77.555 2.542 17.314 0.40 18.95 H new ATOM 1375 N BPRO A 183 82.032 1.014 16.965 0.40 18.46 N ATOM 1376 CA BPRO A 183 83.346 0.377 17.152 0.40 19.55 C ATOM 1377 C BPRO A 183 83.298 -1.145 16.951 0.40 19.91 C ATOM 1378 O BPRO A 183 84.255 -1.745 16.460 0.40 20.77 O ATOM 1379 CB BPRO A 183 83.706 0.721 18.597 0.40 19.40 C ATOM 1380 CG BPRO A 183 82.906 1.947 18.904 0.40 18.59 C ATOM 1381 CD BPRO A 183 81.597 1.704 18.194 0.40 18.89 C ATOM 0 HA BPRO A 183 83.995 0.691 16.503 0.40 19.55 H new ATOM 0 HB2BPRO A 183 83.482 -0.006 19.199 0.40 19.40 H new ATOM 0 HB3BPRO A 183 84.657 0.887 18.694 0.40 19.40 H new ATOM 0 HG2BPRO A 183 82.778 2.060 19.859 0.40 18.59 H new ATOM 0 HG3BPRO A 183 83.344 2.749 18.580 0.40 18.59 H new ATOM 0 HD2BPRO A 183 80.994 1.158 18.722 0.40 18.89 H new ATOM 0 HD3BPRO A 183 81.131 2.532 17.999 0.40 18.89 H new ATOM 1382 N BGLY A 184 82.177 -1.758 17.335 0.40 20.53 N ATOM 1383 CA BGLY A 184 82.029 -3.205 17.241 0.40 20.81 C ATOM 1384 C BGLY A 184 81.266 -3.739 16.041 0.40 22.98 C ATOM 1385 O BGLY A 184 81.772 -3.681 14.925 0.40 22.15 O ATOM 0 H BGLY A 184 81.490 -1.350 17.653 0.40 20.53 H new ATOM 0 HA2BGLY A 184 82.915 -3.600 17.236 0.40 20.81 H new ATOM 0 HA3BGLY A 184 81.584 -3.516 18.045 0.40 20.81 H new ATOM 1386 N BVAL A 185 80.054 -4.266 16.254 0.40 22.97 N ATOM 1387 CA BVAL A 185 79.292 -4.816 15.128 0.40 23.35 C ATOM 1388 C BVAL A 185 78.415 -3.792 14.425 0.40 24.07 C ATOM 1389 O BVAL A 185 77.840 -4.077 13.382 0.40 24.43 O ATOM 1390 CB BVAL A 185 78.426 -6.046 15.538 0.40 22.34 C ATOM 1391 CG1BVAL A 185 79.328 -7.145 16.066 0.40 22.01 C ATOM 1392 CG2BVAL A 185 77.371 -5.665 16.573 0.40 21.41 C ATOM 0 H BVAL A 185 79.665 -4.314 17.020 0.40 22.97 H new ATOM 0 HA BVAL A 185 79.971 -5.104 14.498 0.40 23.35 H new ATOM 0 HB BVAL A 185 77.955 -6.368 14.754 0.40 22.34 H new ATOM 0 HG11BVAL A 185 78.790 -7.911 16.321 0.40 22.01 H new ATOM 0 HG12BVAL A 185 79.956 -7.408 15.375 0.40 22.01 H new ATOM 0 HG13BVAL A 185 79.815 -6.820 16.839 0.40 22.01 H new ATOM 0 HG21BVAL A 185 76.850 -6.449 16.808 0.40 21.41 H new ATOM 0 HG22BVAL A 185 77.807 -5.318 17.367 0.40 21.41 H new ATOM 0 HG23BVAL A 185 76.785 -4.986 16.203 0.40 21.41 H new ATOM 1393 N BALA A 186 78.323 -2.595 14.995 0.40 23.77 N ATOM 1394 CA BALA A 186 77.552 -1.520 14.399 0.40 23.61 C ATOM 1395 C BALA A 186 76.063 -1.821 14.182 0.40 23.99 C ATOM 1396 O BALA A 186 75.534 -1.604 13.094 0.40 23.57 O ATOM 1397 CB BALA A 186 78.194 -1.105 13.082 0.40 24.54 C ATOM 0 H BALA A 186 78.706 -2.387 15.736 0.40 23.77 H new ATOM 0 HA BALA A 186 77.571 -0.798 15.046 0.40 23.61 H new ATOM 0 HB1BALA A 186 77.679 -0.386 12.683 0.40 24.54 H new ATOM 0 HB2BALA A 186 79.100 -0.801 13.245 0.40 24.54 H new ATOM 0 HB3BALA A 186 78.212 -1.863 12.477 0.40 24.54 H new ATOM 1398 N BLEU A 187 75.405 -2.337 15.216 0.40 23.82 N ATOM 1399 CA BLEU A 187 73.970 -2.609 15.169 0.40 25.32 C ATOM 1400 C BLEU A 187 73.261 -1.357 15.705 0.40 25.64 C ATOM 1401 O BLEU A 187 72.052 -1.171 15.544 0.40 26.87 O ATOM 1402 CB BLEU A 187 73.641 -3.830 16.019 0.40 26.93 C ATOM 1403 CG BLEU A 187 74.147 -5.146 15.408 0.40 27.51 C ATOM 1404 CD1BLEU A 187 73.755 -6.324 16.301 0.40 27.13 C ATOM 1405 CD2BLEU A 187 73.570 -5.307 14.010 0.40 29.22 C ATOM 0 H BLEU A 187 75.777 -2.539 15.965 0.40 23.82 H new ATOM 0 HA BLEU A 187 73.677 -2.802 14.265 0.40 25.32 H new ATOM 0 HB2BLEU A 187 74.031 -3.718 16.900 0.40 26.93 H new ATOM 0 HB3BLEU A 187 72.680 -3.884 16.139 0.40 26.93 H new ATOM 0 HG BLEU A 187 75.115 -5.126 15.345 0.40 27.51 H new ATOM 0 HD11BLEU A 187 74.078 -7.150 15.908 0.40 27.13 H new ATOM 0 HD12BLEU A 187 74.149 -6.209 17.180 0.40 27.13 H new ATOM 0 HD13BLEU A 187 72.789 -6.361 16.382 0.40 27.13 H new ATOM 0 HD21BLEU A 187 73.888 -6.137 13.622 0.40 29.22 H new ATOM 0 HD22BLEU A 187 72.601 -5.324 14.059 0.40 29.22 H new ATOM 0 HD23BLEU A 187 73.852 -4.563 13.456 0.40 29.22 H new ATOM 1406 N BLEU A 188 74.041 -0.509 16.369 0.40 23.61 N ATOM 1407 CA BLEU A 188 73.554 0.759 16.895 0.40 21.94 C ATOM 1408 C BLEU A 188 74.085 1.784 15.914 0.40 23.02 C ATOM 1409 O BLEU A 188 75.236 1.688 15.483 0.40 22.69 O ATOM 1410 CB BLEU A 188 74.153 1.062 18.272 0.40 19.98 C ATOM 1411 CG BLEU A 188 73.969 0.067 19.417 0.40 20.01 C ATOM 1412 CD1BLEU A 188 74.526 0.682 20.700 0.40 21.50 C ATOM 1413 CD2BLEU A 188 72.484 -0.242 19.593 0.40 21.41 C ATOM 0 H BLEU A 188 74.873 -0.656 16.527 0.40 23.61 H new ATOM 0 HA BLEU A 188 72.589 0.756 16.993 0.40 21.94 H new ATOM 0 HB2BLEU A 188 75.107 1.190 18.151 0.40 19.98 H new ATOM 0 HB3BLEU A 188 73.788 1.911 18.566 0.40 19.98 H new ATOM 0 HG BLEU A 188 74.441 -0.757 19.218 0.40 20.01 H new ATOM 0 HD11BLEU A 188 74.414 0.057 21.434 0.40 21.50 H new ATOM 0 HD12BLEU A 188 75.469 0.877 20.583 0.40 21.50 H new ATOM 0 HD13BLEU A 188 74.049 1.503 20.899 0.40 21.50 H new ATOM 0 HD21BLEU A 188 72.369 -0.874 20.320 0.40 21.41 H new ATOM 0 HD22BLEU A 188 72.005 0.576 19.797 0.40 21.41 H new ATOM 0 HD23BLEU A 188 72.134 -0.625 18.774 0.40 21.41 H new ATOM 1414 N BTHR A 189 73.263 2.751 15.539 0.40 22.17 N ATOM 1415 CA BTHR A 189 73.733 3.789 14.632 0.40 22.97 C ATOM 1416 C BTHR A 189 74.437 4.837 15.493 0.40 22.53 C ATOM 1417 O BTHR A 189 74.326 4.816 16.720 0.40 22.72 O ATOM 1418 CB BTHR A 189 72.566 4.467 13.894 0.40 24.90 C ATOM 1419 OG1BTHR A 189 71.670 5.044 14.856 0.40 23.80 O ATOM 1420 CG2BTHR A 189 71.826 3.448 13.012 0.40 23.06 C ATOM 0 H BTHR A 189 72.444 2.826 15.791 0.40 22.17 H new ATOM 0 HA BTHR A 189 74.319 3.398 13.965 0.40 22.97 H new ATOM 0 HB BTHR A 189 72.912 5.167 13.319 0.40 24.90 H new ATOM 0 HG1BTHR A 189 71.247 4.433 15.248 0.40 23.80 H new ATOM 0 HG21BTHR A 189 71.094 3.888 12.553 0.40 23.06 H new ATOM 0 HG22BTHR A 189 72.441 3.078 12.359 0.40 23.06 H new ATOM 0 HG23BTHR A 189 71.476 2.733 13.567 0.40 23.06 H new ATOM 1421 N BPRO A 190 75.185 5.762 14.867 0.40 22.57 N ATOM 1422 CA BPRO A 190 75.890 6.806 15.625 0.40 22.15 C ATOM 1423 C BPRO A 190 74.965 7.638 16.524 0.40 22.14 C ATOM 1424 O BPRO A 190 75.277 7.893 17.688 0.40 21.50 O ATOM 1425 CB BPRO A 190 76.541 7.653 14.525 0.40 21.48 C ATOM 1426 CG BPRO A 190 76.855 6.629 13.477 0.40 23.99 C ATOM 1427 CD BPRO A 190 75.583 5.781 13.446 0.40 21.87 C ATOM 0 HA BPRO A 190 76.528 6.433 16.253 0.40 22.15 H new ATOM 0 HB2BPRO A 190 75.940 8.338 14.193 0.40 21.48 H new ATOM 0 HB3BPRO A 190 77.339 8.104 14.841 0.40 21.48 H new ATOM 0 HG2BPRO A 190 77.037 7.038 12.616 0.40 23.99 H new ATOM 0 HG3BPRO A 190 77.635 6.101 13.711 0.40 23.99 H new ATOM 0 HD2BPRO A 190 74.898 6.176 12.883 0.40 21.87 H new ATOM 0 HD3BPRO A 190 75.751 4.889 13.105 0.40 21.87 H new ATOM 1428 N BTHR A 191 73.821 8.050 15.989 0.40 21.99 N ATOM 1429 CA BTHR A 191 72.899 8.859 16.774 0.40 23.38 C ATOM 1430 C BTHR A 191 72.379 8.135 18.021 0.40 21.87 C ATOM 1431 O BTHR A 191 72.269 8.733 19.085 0.40 20.41 O ATOM 1432 CB BTHR A 191 71.726 9.318 15.915 0.40 25.53 C ATOM 1433 OG1BTHR A 191 72.234 10.016 14.768 0.40 27.77 O ATOM 1434 CG2BTHR A 191 70.810 10.247 16.711 0.40 28.18 C ATOM 0 H BTHR A 191 73.563 7.876 15.187 0.40 21.99 H new ATOM 0 HA BTHR A 191 73.403 9.629 17.080 0.40 23.38 H new ATOM 0 HB BTHR A 191 71.214 8.543 15.636 0.40 25.53 H new ATOM 0 HG1BTHR A 191 71.838 9.747 14.078 0.40 27.77 H new ATOM 0 HG21BTHR A 191 70.070 10.530 16.151 0.40 28.18 H new ATOM 0 HG22BTHR A 191 70.467 9.777 17.487 0.40 28.18 H new ATOM 0 HG23BTHR A 191 71.311 11.025 17.001 0.40 28.18 H new ATOM 1435 N BVAL A 192 72.066 6.852 17.885 0.40 21.33 N ATOM 1436 CA BVAL A 192 71.587 6.059 19.010 0.40 21.11 C ATOM 1437 C BVAL A 192 72.733 5.824 20.000 0.40 21.44 C ATOM 1438 O BVAL A 192 72.588 6.072 21.204 0.40 20.48 O ATOM 1439 CB BVAL A 192 70.984 4.731 18.496 0.40 21.79 C ATOM 1440 CG1BVAL A 192 70.839 3.720 19.622 0.40 21.18 C ATOM 1441 CG2BVAL A 192 69.616 5.026 17.882 0.40 21.28 C ATOM 0 H BVAL A 192 72.125 6.419 17.144 0.40 21.33 H new ATOM 0 HA BVAL A 192 70.885 6.537 19.479 0.40 21.11 H new ATOM 0 HB BVAL A 192 71.578 4.348 17.832 0.40 21.79 H new ATOM 0 HG11BVAL A 192 70.459 2.899 19.273 0.40 21.18 H new ATOM 0 HG12BVAL A 192 71.711 3.535 20.006 0.40 21.18 H new ATOM 0 HG13BVAL A 192 70.254 4.080 20.307 0.40 21.18 H new ATOM 0 HG21BVAL A 192 69.224 4.202 17.554 0.40 21.28 H new ATOM 0 HG22BVAL A 192 69.036 5.414 18.555 0.40 21.28 H new ATOM 0 HG23BVAL A 192 69.719 5.650 17.146 0.40 21.28 H new ATOM 1442 N BASP A 193 73.879 5.368 19.503 0.40 20.80 N ATOM 1443 CA BASP A 193 75.046 5.169 20.379 0.40 22.34 C ATOM 1444 C BASP A 193 75.376 6.467 21.161 0.40 19.78 C ATOM 1445 O BASP A 193 75.601 6.428 22.368 0.40 19.00 O ATOM 1446 CB BASP A 193 76.266 4.735 19.543 0.40 26.56 C ATOM 1447 CG BASP A 193 77.488 5.651 19.739 0.40 33.42 C ATOM 1448 OD1BASP A 193 77.929 5.855 20.901 0.40 39.23 O ATOM 1449 OD2BASP A 193 78.020 6.172 18.726 0.40 37.29 O ATOM 0 H BASP A 193 74.007 5.169 18.676 0.40 20.80 H new ATOM 0 HA BASP A 193 74.832 4.472 21.018 0.40 22.34 H new ATOM 0 HB2BASP A 193 76.508 3.826 19.781 0.40 26.56 H new ATOM 0 HB3BASP A 193 76.022 4.727 18.604 0.40 26.56 H new ATOM 1450 N BVAL A 194 75.416 7.601 20.467 0.40 18.55 N ATOM 1451 CA BVAL A 194 75.726 8.889 21.098 0.40 19.43 C ATOM 1452 C BVAL A 194 74.712 9.304 22.167 0.40 18.46 C ATOM 1453 O BVAL A 194 75.090 9.777 23.249 0.40 18.63 O ATOM 1454 CB BVAL A 194 75.829 10.018 20.016 0.40 20.52 C ATOM 1455 CG1BVAL A 194 75.517 11.392 20.622 0.40 21.49 C ATOM 1456 CG2BVAL A 194 77.230 10.022 19.419 0.40 19.62 C ATOM 0 H BVAL A 194 75.266 7.649 19.622 0.40 18.55 H new ATOM 0 HA BVAL A 194 76.579 8.769 21.544 0.40 19.43 H new ATOM 0 HB BVAL A 194 75.177 9.840 19.321 0.40 20.52 H new ATOM 0 HG11BVAL A 194 75.587 12.073 19.934 0.40 21.49 H new ATOM 0 HG12BVAL A 194 74.617 11.390 20.983 0.40 21.49 H new ATOM 0 HG13BVAL A 194 76.149 11.584 21.332 0.40 21.49 H new ATOM 0 HG21BVAL A 194 77.295 10.721 18.749 0.40 19.62 H new ATOM 0 HG22BVAL A 194 77.880 10.186 20.120 0.40 19.62 H new ATOM 0 HG23BVAL A 194 77.409 9.162 19.007 0.40 19.62 H new ATOM 1457 N BALA A 195 73.426 9.131 21.863 0.40 16.78 N ATOM 1458 CA BALA A 195 72.372 9.488 22.812 0.40 15.88 C ATOM 1459 C BALA A 195 72.534 8.662 24.085 0.40 15.93 C ATOM 1460 O BALA A 195 72.382 9.169 25.188 0.40 16.49 O ATOM 1461 CB BALA A 195 70.976 9.234 22.182 0.40 15.09 C ATOM 0 H BALA A 195 73.144 8.810 21.117 0.40 16.78 H new ATOM 0 HA BALA A 195 72.444 10.430 23.031 0.40 15.88 H new ATOM 0 HB1BALA A 195 70.285 9.474 22.819 0.40 15.09 H new ATOM 0 HB2BALA A 195 70.879 9.774 21.382 0.40 15.09 H new ATOM 0 HB3BALA A 195 70.891 8.296 21.951 0.40 15.09 H new ATOM 1462 N BLEU A 196 72.837 7.375 23.919 0.40 15.37 N ATOM 1463 CA BLEU A 196 73.028 6.487 25.051 0.40 16.69 C ATOM 1464 C BLEU A 196 74.245 6.861 25.890 0.40 17.10 C ATOM 1465 O BLEU A 196 74.198 6.843 27.123 0.40 17.92 O ATOM 1466 CB BLEU A 196 73.200 5.042 24.568 0.40 17.24 C ATOM 1467 CG BLEU A 196 71.969 4.315 24.037 0.40 16.17 C ATOM 1468 CD1BLEU A 196 72.359 2.907 23.587 0.40 15.91 C ATOM 1469 CD2BLEU A 196 70.920 4.257 25.124 0.40 16.84 C ATOM 0 H BLEU A 196 72.936 7.000 23.152 0.40 15.37 H new ATOM 0 HA BLEU A 196 72.236 6.574 25.605 0.40 16.69 H new ATOM 0 HB2BLEU A 196 73.871 5.040 23.868 0.40 17.24 H new ATOM 0 HB3BLEU A 196 73.557 4.523 25.305 0.40 17.24 H new ATOM 0 HG BLEU A 196 71.605 4.791 23.274 0.40 16.17 H new ATOM 0 HD11BLEU A 196 71.575 2.446 23.250 0.40 15.91 H new ATOM 0 HD12BLEU A 196 73.027 2.965 22.886 0.40 15.91 H new ATOM 0 HD13BLEU A 196 72.723 2.416 24.340 0.40 15.91 H new ATOM 0 HD21BLEU A 196 70.134 3.795 24.791 0.40 16.84 H new ATOM 0 HD22BLEU A 196 71.274 3.780 25.891 0.40 16.84 H new ATOM 0 HD23BLEU A 196 70.677 5.158 25.388 0.40 16.84 H new ATOM 1470 N BILE A 197 75.347 7.179 25.218 0.40 18.20 N ATOM 1471 CA BILE A 197 76.568 7.522 25.940 0.40 17.51 C ATOM 1472 C BILE A 197 76.432 8.869 26.633 0.40 18.26 C ATOM 1473 O BILE A 197 76.917 9.046 27.752 0.40 18.85 O ATOM 1474 CB BILE A 197 77.783 7.515 24.992 0.40 17.27 C ATOM 1475 CG1BILE A 197 78.027 6.091 24.484 0.40 19.28 C ATOM 1476 CG2BILE A 197 79.038 8.026 25.722 0.40 19.32 C ATOM 1477 CD1BILE A 197 78.257 5.084 25.584 0.40 21.96 C ATOM 0 H BILE A 197 75.410 7.202 24.361 0.40 18.20 H new ATOM 0 HA BILE A 197 76.712 6.848 26.623 0.40 17.51 H new ATOM 0 HB BILE A 197 77.599 8.102 24.242 0.40 17.27 H new ATOM 0 HG12BILE A 197 77.265 5.810 23.954 0.40 19.28 H new ATOM 0 HG13BILE A 197 78.797 6.094 23.894 0.40 19.28 H new ATOM 0 HG21BILE A 197 79.793 8.016 25.113 0.40 19.32 H new ATOM 0 HG22BILE A 197 78.886 8.932 26.032 0.40 19.32 H new ATOM 0 HG23BILE A 197 79.227 7.452 26.481 0.40 19.32 H new ATOM 0 HD11BILE A 197 78.404 4.208 25.195 0.40 21.96 H new ATOM 0 HD12BILE A 197 79.035 5.342 26.102 0.40 21.96 H new ATOM 0 HD13BILE A 197 77.479 5.054 26.163 0.40 21.96 H new ATOM 1478 N BVAL A 198 75.769 9.820 25.982 0.40 18.88 N ATOM 1479 CA BVAL A 198 75.568 11.127 26.602 0.40 21.02 C ATOM 1480 C BVAL A 198 74.827 10.957 27.925 0.40 20.41 C ATOM 1481 O BVAL A 198 75.170 11.582 28.923 0.40 20.14 O ATOM 1482 CB BVAL A 198 74.720 12.071 25.719 0.40 22.54 C ATOM 1483 CG1BVAL A 198 74.423 13.353 26.486 0.40 24.46 C ATOM 1484 CG2BVAL A 198 75.458 12.393 24.428 0.40 23.93 C ATOM 0 H BVAL A 198 75.433 9.733 25.195 0.40 18.88 H new ATOM 0 HA BVAL A 198 76.448 11.515 26.728 0.40 21.02 H new ATOM 0 HB BVAL A 198 73.886 11.631 25.494 0.40 22.54 H new ATOM 0 HG11BVAL A 198 73.891 13.946 25.932 0.40 24.46 H new ATOM 0 HG12BVAL A 198 73.932 13.140 27.295 0.40 24.46 H new ATOM 0 HG13BVAL A 198 75.256 13.791 26.720 0.40 24.46 H new ATOM 0 HG21BVAL A 198 74.916 12.985 23.884 0.40 23.93 H new ATOM 0 HG22BVAL A 198 76.300 12.827 24.636 0.40 23.93 H new ATOM 0 HG23BVAL A 198 75.629 11.573 23.940 0.40 23.93 H new ATOM 1485 N BTYR A 199 73.805 10.105 27.917 0.40 21.76 N ATOM 1486 CA BTYR A 199 72.996 9.849 29.107 0.40 20.78 C ATOM 1487 C BTYR A 199 73.835 9.149 30.188 0.40 20.78 C ATOM 1488 O BTYR A 199 73.856 9.576 31.345 0.40 18.34 O ATOM 1489 CB BTYR A 199 71.750 9.042 28.683 0.40 22.19 C ATOM 1490 CG BTYR A 199 70.862 8.503 29.793 0.40 25.38 C ATOM 1491 CD1BTYR A 199 70.747 9.157 31.022 0.40 27.00 C ATOM 1492 CD2BTYR A 199 70.106 7.344 29.592 0.40 26.98 C ATOM 1493 CE1BTYR A 199 69.900 8.666 32.026 0.40 28.58 C ATOM 1494 CE2BTYR A 199 69.260 6.848 30.582 0.40 27.47 C ATOM 1495 CZ BTYR A 199 69.162 7.511 31.797 0.40 29.92 C ATOM 1496 OH BTYR A 199 68.336 7.007 32.778 0.40 32.31 O ATOM 0 H BTYR A 199 73.561 9.660 27.223 0.40 21.76 H new ATOM 0 HA BTYR A 199 72.694 10.680 29.506 0.40 20.78 H new ATOM 0 HB2BTYR A 199 71.207 9.606 28.110 0.40 22.19 H new ATOM 0 HB3BTYR A 199 72.046 8.292 28.144 0.40 22.19 H new ATOM 0 HD1BTYR A 199 71.240 9.930 31.177 0.40 27.00 H new ATOM 0 HD2BTYR A 199 70.169 6.895 28.780 0.40 26.98 H new ATOM 0 HE1BTYR A 199 69.833 9.111 32.840 0.40 28.58 H new ATOM 0 HE2BTYR A 199 68.764 6.077 30.429 0.40 27.47 H new ATOM 0 HH BTYR A 199 67.906 6.352 32.474 0.40 32.31 H new ATOM 1497 N BLEU A 200 74.545 8.091 29.812 0.40 19.92 N ATOM 1498 CA BLEU A 200 75.407 7.393 30.764 0.40 20.88 C ATOM 1499 C BLEU A 200 76.476 8.343 31.327 0.40 19.56 C ATOM 1500 O BLEU A 200 76.765 8.333 32.522 0.40 17.88 O ATOM 1501 CB BLEU A 200 76.119 6.221 30.089 0.40 21.83 C ATOM 1502 CG BLEU A 200 75.510 4.830 30.250 0.40 24.06 C ATOM 1503 CD1BLEU A 200 76.307 3.824 29.428 0.40 25.25 C ATOM 1504 CD2BLEU A 200 75.499 4.458 31.725 0.40 26.25 C ATOM 0 H BLEU A 200 74.543 7.762 29.017 0.40 19.92 H new ATOM 0 HA BLEU A 200 74.842 7.068 31.482 0.40 20.88 H new ATOM 0 HB2BLEU A 200 76.176 6.413 29.140 0.40 21.83 H new ATOM 0 HB3BLEU A 200 77.028 6.190 30.427 0.40 21.83 H new ATOM 0 HG BLEU A 200 74.596 4.824 29.925 0.40 24.06 H new ATOM 0 HD11BLEU A 200 75.919 2.941 29.532 0.40 25.25 H new ATOM 0 HD12BLEU A 200 76.284 4.079 28.493 0.40 25.25 H new ATOM 0 HD13BLEU A 200 77.227 3.810 29.736 0.40 25.25 H new ATOM 0 HD21BLEU A 200 75.113 3.575 31.833 0.40 26.25 H new ATOM 0 HD22BLEU A 200 76.407 4.457 32.066 0.40 26.25 H new ATOM 0 HD23BLEU A 200 74.970 5.104 32.218 0.40 26.25 H new ATOM 1505 N BASP A 201 77.071 9.151 30.459 0.40 19.73 N ATOM 1506 CA BASP A 201 78.107 10.088 30.892 0.40 20.69 C ATOM 1507 C BASP A 201 77.580 11.083 31.933 0.40 19.44 C ATOM 1508 O BASP A 201 78.235 11.348 32.937 0.40 18.12 O ATOM 1509 CB BASP A 201 78.678 10.847 29.680 0.40 22.18 C ATOM 1510 CG BASP A 201 79.869 10.133 29.042 0.40 24.90 C ATOM 1511 OD1BASP A 201 80.196 8.990 29.440 0.40 27.58 O ATOM 1512 OD2BASP A 201 80.486 10.711 28.120 0.40 26.95 O ATOM 0 H BASP A 201 76.893 9.175 29.618 0.40 19.73 H new ATOM 0 HA BASP A 201 78.812 9.569 31.310 0.40 20.69 H new ATOM 0 HB2BASP A 201 77.980 10.960 29.016 0.40 22.18 H new ATOM 0 HB3BASP A 201 78.950 11.735 29.959 0.40 22.18 H new ATOM 1513 N BLEU A 202 76.392 11.632 31.702 0.40 19.69 N ATOM 1514 CA BLEU A 202 75.837 12.597 32.648 0.40 20.25 C ATOM 1515 C BLEU A 202 75.582 11.937 34.007 0.40 20.35 C ATOM 1516 O BLEU A 202 75.761 12.555 35.055 0.40 21.35 O ATOM 1517 CB BLEU A 202 74.539 13.205 32.090 0.40 21.41 C ATOM 1518 CG BLEU A 202 74.708 14.122 30.863 0.40 23.46 C ATOM 1519 CD1BLEU A 202 73.335 14.549 30.334 0.40 24.87 C ATOM 1520 CD2BLEU A 202 75.542 15.364 31.252 0.40 24.76 C ATOM 0 H BLEU A 202 75.899 11.465 31.018 0.40 19.69 H new ATOM 0 HA BLEU A 202 76.483 13.310 32.774 0.40 20.25 H new ATOM 0 HB2BLEU A 202 73.938 12.482 31.853 0.40 21.41 H new ATOM 0 HB3BLEU A 202 74.108 13.712 32.796 0.40 21.41 H new ATOM 0 HG BLEU A 202 75.172 13.637 30.163 0.40 23.46 H new ATOM 0 HD11BLEU A 202 73.450 15.125 29.562 0.40 24.87 H new ATOM 0 HD12BLEU A 202 72.828 13.763 30.077 0.40 24.87 H new ATOM 0 HD13BLEU A 202 72.856 15.029 31.027 0.40 24.87 H new ATOM 0 HD21BLEU A 202 75.647 15.939 30.478 0.40 24.76 H new ATOM 0 HD22BLEU A 202 75.088 15.851 31.957 0.40 24.76 H new ATOM 0 HD23BLEU A 202 76.416 15.082 31.565 0.40 24.76 H new ATOM 1521 N BVAL A 203 75.169 10.676 33.994 0.40 20.94 N ATOM 1522 CA BVAL A 203 74.911 9.973 35.244 0.40 20.18 C ATOM 1523 C BVAL A 203 76.198 9.571 35.971 0.40 20.96 C ATOM 1524 O BVAL A 203 76.344 9.816 37.177 0.40 21.90 O ATOM 1525 CB BVAL A 203 74.049 8.695 35.007 0.40 22.32 C ATOM 1526 CG1BVAL A 203 73.808 7.971 36.323 0.40 22.79 C ATOM 1527 CG2BVAL A 203 72.719 9.072 34.378 0.40 22.35 C ATOM 0 H BVAL A 203 75.033 10.214 33.282 0.40 20.94 H new ATOM 0 HA BVAL A 203 74.426 10.599 35.803 0.40 20.18 H new ATOM 0 HB BVAL A 203 74.529 8.105 34.406 0.40 22.32 H new ATOM 0 HG11BVAL A 203 73.271 7.179 36.163 0.40 22.79 H new ATOM 0 HG12BVAL A 203 74.659 7.712 36.711 0.40 22.79 H new ATOM 0 HG13BVAL A 203 73.340 8.560 36.935 0.40 22.79 H new ATOM 0 HG21BVAL A 203 72.190 8.272 34.234 0.40 22.35 H new ATOM 0 HG22BVAL A 203 72.240 9.674 34.969 0.40 22.35 H new ATOM 0 HG23BVAL A 203 72.876 9.512 33.528 0.40 22.35 H new ATOM 1528 N BTHR A 204 77.137 8.969 35.245 0.40 19.24 N ATOM 1529 CA BTHR A 204 78.379 8.511 35.857 0.40 18.97 C ATOM 1530 C BTHR A 204 79.334 9.610 36.315 0.40 19.09 C ATOM 1531 O BTHR A 204 80.160 9.355 37.181 0.40 17.77 O ATOM 1532 CB BTHR A 204 79.179 7.544 34.923 0.40 17.21 C ATOM 1533 OG1BTHR A 204 79.518 8.215 33.702 0.40 18.10 O ATOM 1534 CG2BTHR A 204 78.364 6.286 34.616 0.40 17.72 C ATOM 0 H BTHR A 204 77.074 8.817 34.401 0.40 19.24 H new ATOM 0 HA BTHR A 204 78.063 8.051 36.650 0.40 18.97 H new ATOM 0 HB BTHR A 204 79.992 7.278 35.381 0.40 17.21 H new ATOM 0 HG1BTHR A 204 78.825 8.326 33.241 0.40 18.10 H new ATOM 0 HG21BTHR A 204 78.877 5.701 34.037 0.40 17.72 H new ATOM 0 HG22BTHR A 204 78.160 5.823 35.443 0.40 17.72 H new ATOM 0 HG23BTHR A 204 77.538 6.535 34.173 0.40 17.72 H new ATOM 1535 N BLYS A 205 79.235 10.810 35.734 0.40 17.43 N ATOM 1536 CA BLYS A 205 80.095 11.936 36.132 0.40 19.08 C ATOM 1537 C BLYS A 205 79.320 12.984 36.952 0.40 19.45 C ATOM 1538 O BLYS A 205 79.651 13.248 38.107 0.40 20.76 O ATOM 1539 CB BLYS A 205 80.711 12.623 34.898 0.40 19.62 C ATOM 1540 CG BLYS A 205 81.515 11.700 33.977 0.40 21.52 C ATOM 1541 CD BLYS A 205 81.573 12.309 32.573 0.40 26.69 C ATOM 1542 CE BLYS A 205 82.467 11.538 31.641 0.40 29.28 C ATOM 1543 NZ BLYS A 205 81.828 10.293 31.187 0.40 31.26 N ATOM 0 H BLYS A 205 78.676 10.995 35.107 0.40 17.43 H new ATOM 0 HA BLYS A 205 80.801 11.565 36.685 0.40 19.08 H new ATOM 0 HB2BLYS A 205 79.998 13.031 34.382 0.40 19.62 H new ATOM 0 HB3BLYS A 205 81.290 13.341 35.199 0.40 19.62 H new ATOM 0 HG2BLYS A 205 82.412 11.580 34.326 0.40 21.52 H new ATOM 0 HG3BLYS A 205 81.104 10.822 33.943 0.40 21.52 H new ATOM 0 HD2BLYS A 205 80.677 12.342 32.202 0.40 26.69 H new ATOM 0 HD3BLYS A 205 81.889 13.224 32.634 0.40 26.69 H new ATOM 0 HE2BLYS A 205 82.687 12.088 30.873 0.40 29.28 H new ATOM 0 HE3BLYS A 205 83.301 11.330 32.090 0.40 29.28 H new ATOM 0 HZ3BLYS A 205 82.175 10.049 30.405 0.40 31.26 H new ATOM 1544 N BVAL A 206 78.285 13.580 36.363 0.40 20.56 N ATOM 1545 CA BVAL A 206 77.511 14.593 37.081 0.40 19.41 C ATOM 1546 C BVAL A 206 76.617 13.986 38.164 0.40 20.24 C ATOM 1547 O BVAL A 206 76.527 14.531 39.265 0.40 20.72 O ATOM 1548 CB BVAL A 206 76.675 15.453 36.105 0.40 20.90 C ATOM 1549 CG1BVAL A 206 75.807 16.456 36.888 0.40 20.79 C ATOM 1550 CG2BVAL A 206 77.623 16.213 35.159 0.40 21.06 C ATOM 0 H BVAL A 206 78.017 13.417 35.562 0.40 20.56 H new ATOM 0 HA BVAL A 206 78.153 15.167 37.527 0.40 19.41 H new ATOM 0 HB BVAL A 206 76.092 14.874 35.589 0.40 20.90 H new ATOM 0 HG11BVAL A 206 75.288 16.989 36.266 0.40 20.79 H new ATOM 0 HG12BVAL A 206 75.208 15.973 37.478 0.40 20.79 H new ATOM 0 HG13BVAL A 206 76.378 17.038 37.413 0.40 20.79 H new ATOM 0 HG21BVAL A 206 77.102 16.754 34.545 0.40 21.06 H new ATOM 0 HG22BVAL A 206 78.208 16.787 35.679 0.40 21.06 H new ATOM 0 HG23BVAL A 206 78.157 15.578 34.657 0.40 21.06 H new ATOM 1551 N BGLY A 207 75.966 12.864 37.861 0.40 20.72 N ATOM 1552 CA BGLY A 207 75.127 12.206 38.855 0.40 20.21 C ATOM 1553 C BGLY A 207 76.003 11.770 40.019 0.40 20.21 C ATOM 1554 O BGLY A 207 75.651 11.930 41.190 0.40 20.87 O ATOM 0 H BGLY A 207 75.997 12.473 37.095 0.40 20.72 H new ATOM 0 HA2BGLY A 207 74.434 12.810 39.163 0.40 20.21 H new ATOM 0 HA3BGLY A 207 74.681 11.439 38.464 0.40 20.21 H new ATOM 1555 N BPHE A 208 77.157 11.204 39.673 0.40 19.43 N ATOM 1556 CA BPHE A 208 78.158 10.753 40.634 0.40 19.21 C ATOM 1557 C BPHE A 208 78.457 11.922 41.587 0.40 18.78 C ATOM 1558 O BPHE A 208 78.410 11.778 42.809 0.40 18.62 O ATOM 1559 CB BPHE A 208 79.416 10.349 39.843 0.40 19.23 C ATOM 1560 CG BPHE A 208 80.575 9.870 40.681 0.40 20.17 C ATOM 1561 CD1BPHE A 208 80.859 8.503 40.789 0.40 19.35 C ATOM 1562 CD2BPHE A 208 81.446 10.784 41.280 0.40 20.31 C ATOM 1563 CE1BPHE A 208 81.995 8.055 41.467 0.40 17.60 C ATOM 1564 CE2BPHE A 208 82.591 10.350 41.966 0.40 17.07 C ATOM 1565 CZ BPHE A 208 82.867 8.980 42.056 0.40 20.19 C ATOM 0 H BPHE A 208 77.384 11.069 38.854 0.40 19.43 H new ATOM 0 HA BPHE A 208 77.852 9.994 41.154 0.40 19.21 H new ATOM 0 HB2BPHE A 208 79.176 9.647 39.218 0.40 19.23 H new ATOM 0 HB3BPHE A 208 79.708 11.110 39.317 0.40 19.23 H new ATOM 0 HD1BPHE A 208 80.282 7.884 40.403 0.40 19.35 H new ATOM 0 HD2BPHE A 208 81.264 11.694 41.223 0.40 20.31 H new ATOM 0 HE1BPHE A 208 82.172 7.144 41.527 0.40 17.60 H new ATOM 0 HE2BPHE A 208 83.163 10.969 42.359 0.40 17.07 H new ATOM 0 HZ BPHE A 208 83.626 8.685 42.505 0.40 20.19 H new ATOM 1566 N BGLY A 209 78.739 13.083 41.003 0.40 19.22 N ATOM 1567 CA BGLY A 209 79.059 14.274 41.781 0.40 20.08 C ATOM 1568 C BGLY A 209 77.953 14.767 42.697 0.40 21.43 C ATOM 1569 O BGLY A 209 78.213 15.099 43.852 0.40 21.53 O ATOM 0 H BGLY A 209 78.750 13.202 40.151 0.40 19.22 H new ATOM 0 HA2BGLY A 209 79.846 14.090 42.318 0.40 20.08 H new ATOM 0 HA3BGLY A 209 79.294 14.989 41.169 0.40 20.08 H new ATOM 1570 N BPHE A 210 76.721 14.822 42.201 0.40 21.56 N ATOM 1571 CA BPHE A 210 75.627 15.286 43.044 0.40 23.72 C ATOM 1572 C BPHE A 210 75.347 14.349 44.202 0.40 23.14 C ATOM 1573 O BPHE A 210 74.933 14.800 45.272 0.40 22.30 O ATOM 1574 CB BPHE A 210 74.370 15.541 42.209 0.40 25.77 C ATOM 1575 CG BPHE A 210 74.359 16.901 41.573 0.40 28.54 C ATOM 1576 CD1BPHE A 210 74.185 18.042 42.356 0.40 30.41 C ATOM 1577 CD2BPHE A 210 74.580 17.051 40.211 0.40 29.08 C ATOM 1578 CE1BPHE A 210 74.233 19.319 41.788 0.40 31.80 C ATOM 1579 CE2BPHE A 210 74.633 18.317 39.626 0.40 30.72 C ATOM 1580 CZ BPHE A 210 74.460 19.457 40.414 0.40 31.93 C ATOM 0 H BPHE A 210 76.501 14.601 41.399 0.40 21.56 H new ATOM 0 HA BPHE A 210 75.906 16.128 43.438 0.40 23.72 H new ATOM 0 HB2BPHE A 210 74.304 14.865 41.517 0.40 25.77 H new ATOM 0 HB3BPHE A 210 73.587 15.446 42.774 0.40 25.77 H new ATOM 0 HD1BPHE A 210 74.035 17.952 43.269 0.40 30.41 H new ATOM 0 HD2BPHE A 210 74.695 16.296 39.680 0.40 29.08 H new ATOM 0 HE1BPHE A 210 74.115 20.072 42.320 0.40 31.80 H new ATOM 0 HE2BPHE A 210 74.783 18.401 38.712 0.40 30.72 H new ATOM 0 HZ BPHE A 210 74.495 20.302 40.028 0.40 31.93 H new ATOM 1581 N BILE A 211 75.579 13.054 44.002 0.40 23.15 N ATOM 1582 CA BILE A 211 75.406 12.091 45.084 0.40 22.36 C ATOM 1583 C BILE A 211 76.443 12.469 46.159 0.40 22.65 C ATOM 1584 O BILE A 211 76.143 12.481 47.350 0.40 21.88 O ATOM 1585 CB BILE A 211 75.657 10.634 44.601 0.40 23.79 C ATOM 1586 CG1BILE A 211 74.528 10.197 43.659 0.40 24.72 C ATOM 1587 CG2BILE A 211 75.745 9.681 45.806 0.40 23.41 C ATOM 1588 CD1BILE A 211 74.680 8.780 43.103 0.40 24.84 C ATOM 0 H BILE A 211 75.835 12.715 43.254 0.40 23.15 H new ATOM 0 HA BILE A 211 74.497 12.121 45.422 0.40 22.36 H new ATOM 0 HB BILE A 211 76.499 10.601 44.120 0.40 23.79 H new ATOM 0 HG12BILE A 211 73.684 10.257 44.134 0.40 24.72 H new ATOM 0 HG13BILE A 211 74.481 10.820 42.917 0.40 24.72 H new ATOM 0 HG21BILE A 211 75.901 8.776 45.493 0.40 23.41 H new ATOM 0 HG22BILE A 211 76.476 9.954 46.382 0.40 23.41 H new ATOM 0 HG23BILE A 211 74.913 9.711 46.304 0.40 23.41 H new ATOM 0 HD11BILE A 211 73.932 8.579 42.520 0.40 24.84 H new ATOM 0 HD12BILE A 211 75.507 8.716 42.601 0.40 24.84 H new ATOM 0 HD13BILE A 211 74.698 8.145 43.836 0.40 24.84 H new ATOM 1589 N BALA A 212 77.657 12.805 45.730 0.40 21.36 N ATOM 1590 CA BALA A 212 78.693 13.199 46.672 0.40 21.69 C ATOM 1591 C BALA A 212 78.309 14.525 47.341 0.40 23.18 C ATOM 1592 O BALA A 212 78.435 14.673 48.554 0.40 23.46 O ATOM 1593 CB BALA A 212 80.056 13.329 45.948 0.40 21.13 C ATOM 0 H BALA A 212 77.897 12.811 44.904 0.40 21.36 H new ATOM 0 HA BALA A 212 78.776 12.516 47.356 0.40 21.69 H new ATOM 0 HB1BALA A 212 80.738 13.592 46.586 0.40 21.13 H new ATOM 0 HB2BALA A 212 80.295 12.476 45.553 0.40 21.13 H new ATOM 0 HB3BALA A 212 79.990 14.001 45.251 0.40 21.13 H new ATOM 1594 N BLEU A 213 77.829 15.484 46.553 0.40 24.29 N ATOM 1595 CA BLEU A 213 77.418 16.774 47.100 0.40 25.23 C ATOM 1596 C BLEU A 213 76.355 16.646 48.191 0.40 26.08 C ATOM 1597 O BLEU A 213 76.409 17.342 49.194 0.40 26.49 O ATOM 1598 CB BLEU A 213 76.892 17.681 45.984 0.40 25.56 C ATOM 1599 CG BLEU A 213 77.795 18.857 45.603 0.40 28.57 C ATOM 1600 CD1BLEU A 213 79.212 18.375 45.298 0.40 26.89 C ATOM 1601 CD2BLEU A 213 77.183 19.579 44.411 0.40 28.31 C ATOM 0 H BLEU A 213 77.734 15.408 45.702 0.40 24.29 H new ATOM 0 HA BLEU A 213 78.207 17.165 47.506 0.40 25.23 H new ATOM 0 HB2BLEU A 213 76.743 17.140 45.193 0.40 25.56 H new ATOM 0 HB3BLEU A 213 76.029 18.032 46.255 0.40 25.56 H new ATOM 0 HG BLEU A 213 77.860 19.475 46.348 0.40 28.57 H new ATOM 0 HD11BLEU A 213 79.768 19.133 45.059 0.40 26.89 H new ATOM 0 HD12BLEU A 213 79.581 17.938 46.082 0.40 26.89 H new ATOM 0 HD13BLEU A 213 79.188 17.747 44.559 0.40 26.89 H new ATOM 0 HD21BLEU A 213 77.748 20.327 44.161 0.40 28.31 H new ATOM 0 HD22BLEU A 213 77.110 18.965 43.663 0.40 28.31 H new ATOM 0 HD23BLEU A 213 76.301 19.906 44.648 0.40 28.31 H new ATOM 1602 N BASP A 214 75.387 15.761 48.000 0.40 27.41 N ATOM 1603 CA BASP A 214 74.329 15.584 48.997 0.40 29.72 C ATOM 1604 C BASP A 214 74.766 14.856 50.277 0.40 28.95 C ATOM 1605 O BASP A 214 74.052 14.869 51.284 0.40 27.96 O ATOM 1606 CB BASP A 214 73.143 14.847 48.379 0.40 32.20 C ATOM 1607 CG BASP A 214 72.090 14.482 49.407 0.40 36.74 C ATOM 1608 OD1BASP A 214 71.614 15.392 50.124 0.40 39.86 O ATOM 1609 OD2BASP A 214 71.745 13.284 49.502 0.40 38.98 O ATOM 0 H BASP A 214 75.320 15.255 47.308 0.40 27.41 H new ATOM 0 HA BASP A 214 74.082 16.482 49.268 0.40 29.72 H new ATOM 0 HB2BASP A 214 72.742 15.403 47.692 0.40 32.20 H new ATOM 0 HB3BASP A 214 73.459 14.040 47.942 0.40 32.20 H new ATOM 1610 N BALA A 215 75.934 14.225 50.245 0.40 27.84 N ATOM 1611 CA BALA A 215 76.429 13.504 51.414 0.40 27.07 C ATOM 1612 C BALA A 215 77.339 14.379 52.273 0.40 26.87 C ATOM 1613 O BALA A 215 77.527 14.110 53.459 0.40 25.70 O ATOM 1614 CB BALA A 215 77.198 12.245 50.972 0.40 26.84 C ATOM 0 H BALA A 215 76.454 14.201 49.560 0.40 27.84 H new ATOM 0 HA BALA A 215 75.660 13.250 51.948 0.40 27.07 H new ATOM 0 HB1BALA A 215 77.523 11.773 51.754 0.40 26.84 H new ATOM 0 HB2BALA A 215 76.607 11.665 50.467 0.40 26.84 H new ATOM 0 HB3BALA A 215 77.949 12.503 50.416 0.40 26.84 H new ATOM 1615 N BALA A 216 77.893 15.421 51.657 0.40 25.93 N ATOM 1616 CA BALA A 216 78.832 16.337 52.303 0.40 26.85 C ATOM 1617 C BALA A 216 78.465 16.826 53.699 0.40 26.92 C ATOM 1618 O BALA A 216 79.263 16.695 54.631 0.40 25.66 O ATOM 1619 CB BALA A 216 79.092 17.542 51.386 0.40 27.36 C ATOM 0 H BALA A 216 77.731 15.619 50.836 0.40 25.93 H new ATOM 0 HA BALA A 216 79.630 15.802 52.440 0.40 26.85 H new ATOM 0 HB1BALA A 216 79.715 18.148 51.817 0.40 27.36 H new ATOM 0 HB2BALA A 216 79.468 17.235 50.546 0.40 27.36 H new ATOM 0 HB3BALA A 216 78.257 18.005 51.215 0.40 27.36 H new ATOM 1620 N BALA A 217 77.267 17.390 53.835 0.40 28.13 N ATOM 1621 CA BALA A 217 76.790 17.924 55.113 0.40 28.88 C ATOM 1622 C BALA A 217 76.772 16.866 56.219 0.40 29.44 C ATOM 1623 O BALA A 217 77.188 17.128 57.343 0.40 30.81 O ATOM 1624 CB BALA A 217 75.388 18.529 54.935 0.40 29.80 C ATOM 0 H BALA A 217 76.706 17.475 53.189 0.40 28.13 H new ATOM 0 HA BALA A 217 77.413 18.614 55.390 0.40 28.88 H new ATOM 0 HB1BALA A 217 75.077 18.881 55.784 0.40 29.80 H new ATOM 0 HB2BALA A 217 75.425 19.246 54.282 0.40 29.80 H new ATOM 0 HB3BALA A 217 74.776 17.843 54.626 0.40 29.80 H new ATOM 1625 N BTHR A 218 76.287 15.676 55.892 0.40 29.25 N ATOM 1626 CA BTHR A 218 76.226 14.574 56.847 0.40 29.89 C ATOM 1627 C BTHR A 218 77.624 14.086 57.225 0.40 29.10 C ATOM 1628 O BTHR A 218 77.839 13.579 58.328 0.40 27.62 O ATOM 1629 CB BTHR A 218 75.400 13.406 56.273 0.40 30.56 C ATOM 1630 OG1BTHR A 218 74.036 13.824 56.138 0.40 34.33 O ATOM 1631 CG2BTHR A 218 75.454 12.193 57.189 0.40 31.61 C ATOM 0 H BTHR A 218 75.984 15.483 55.111 0.40 29.25 H new ATOM 0 HA BTHR A 218 75.793 14.905 57.649 0.40 29.89 H new ATOM 0 HB BTHR A 218 75.772 13.160 55.412 0.40 30.56 H new ATOM 0 HG1BTHR A 218 73.579 13.193 55.824 0.40 34.33 H new ATOM 0 HG21BTHR A 218 74.927 11.474 56.806 0.40 31.61 H new ATOM 0 HG22BTHR A 218 76.374 11.902 57.287 0.40 31.61 H new ATOM 0 HG23BTHR A 218 75.095 12.428 58.059 0.40 31.61 H new ATOM 1632 N BLEU A 219 78.570 14.237 56.303 0.40 29.50 N ATOM 1633 CA BLEU A 219 79.948 13.841 56.556 0.40 29.08 C ATOM 1634 C BLEU A 219 80.612 14.848 57.494 0.40 29.93 C ATOM 1635 O BLEU A 219 81.443 14.481 58.317 0.40 29.48 O ATOM 1636 CB BLEU A 219 80.734 13.762 55.242 0.40 29.28 C ATOM 1637 CG BLEU A 219 80.383 12.589 54.323 0.40 29.64 C ATOM 1638 CD1BLEU A 219 81.195 12.670 53.031 0.40 28.67 C ATOM 1639 CD2BLEU A 219 80.665 11.280 55.051 0.40 29.88 C ATOM 0 H BLEU A 219 78.432 14.568 55.522 0.40 29.50 H new ATOM 0 HA BLEU A 219 79.947 12.965 56.972 0.40 29.08 H new ATOM 0 HB2BLEU A 219 80.595 14.587 54.752 0.40 29.28 H new ATOM 0 HB3BLEU A 219 81.679 13.713 55.453 0.40 29.28 H new ATOM 0 HG BLEU A 219 79.442 12.628 54.092 0.40 29.64 H new ATOM 0 HD11BLEU A 219 80.965 11.923 52.457 0.40 28.67 H new ATOM 0 HD12BLEU A 219 80.995 13.502 52.574 0.40 28.67 H new ATOM 0 HD13BLEU A 219 82.141 12.637 53.241 0.40 28.67 H new ATOM 0 HD21BLEU A 219 80.444 10.534 54.472 0.40 29.88 H new ATOM 0 HD22BLEU A 219 81.605 11.237 55.288 0.40 29.88 H new ATOM 0 HD23BLEU A 219 80.126 11.235 55.856 0.40 29.88 H new ATOM 1640 N BARG A 220 80.251 16.122 57.362 0.40 29.70 N ATOM 1641 CA BARG A 220 80.827 17.148 58.223 0.40 30.10 C ATOM 1642 C BARG A 220 80.313 16.932 59.647 0.40 29.69 C ATOM 1643 O BARG A 220 81.081 16.972 60.615 0.40 29.66 O ATOM 1644 CB BARG A 220 80.433 18.548 57.739 0.40 31.04 C ATOM 1645 CG BARG A 220 80.904 18.901 56.334 0.40 34.54 C ATOM 1646 CD BARG A 220 80.929 20.419 56.121 0.40 38.48 C ATOM 1647 NE BARG A 220 80.154 20.846 54.954 0.40 43.35 N ATOM 1648 CZ BARG A 220 80.389 20.460 53.701 0.40 45.03 C ATOM 1649 NH1BARG A 220 81.390 19.628 53.430 0.40 47.41 N ATOM 1650 NH2BARG A 220 79.621 20.909 52.715 0.40 45.85 N ATOM 0 H BARG A 220 79.680 16.410 56.786 0.40 29.70 H new ATOM 0 HA BARG A 220 81.794 17.081 58.199 0.40 30.10 H new ATOM 0 HB2BARG A 220 79.467 18.626 57.771 0.40 31.04 H new ATOM 0 HB3BARG A 220 80.791 19.202 58.359 0.40 31.04 H new ATOM 0 HG2BARG A 220 81.791 18.537 56.187 0.40 34.54 H new ATOM 0 HG3BARG A 220 80.316 18.490 55.681 0.40 34.54 H new ATOM 0 HD2BARG A 220 80.580 20.857 56.913 0.40 38.48 H new ATOM 0 HD3BARG A 220 81.848 20.711 56.017 0.40 38.48 H new ATOM 0 HE BARG A 220 79.498 21.386 55.088 0.40 43.35 H new ATOM 0 HH11BARG A 220 81.890 19.336 54.066 0.40 47.41 H new ATOM 0 HH12BARG A 220 81.537 19.382 52.619 0.40 47.41 H new ATOM 0 HH21BARG A 220 78.973 21.448 52.886 0.40 45.85 H new ATOM 0 HH22BARG A 220 79.772 20.661 51.906 0.40 45.85 H new ATOM 1651 N BALA A 221 79.009 16.683 59.748 0.40 29.00 N ATOM 1652 CA BALA A 221 78.335 16.463 61.019 0.40 30.68 C ATOM 1653 C BALA A 221 78.872 15.286 61.833 0.40 31.71 C ATOM 1654 O BALA A 221 78.841 15.322 63.062 0.40 31.05 O ATOM 1655 CB BALA A 221 76.826 16.292 60.782 0.40 29.83 C ATOM 0 H BALA A 221 78.485 16.637 59.067 0.40 29.00 H new ATOM 0 HA BALA A 221 78.516 17.252 61.554 0.40 30.68 H new ATOM 0 HB1BALA A 221 76.380 16.146 61.631 0.40 29.83 H new ATOM 0 HB2BALA A 221 76.471 17.092 60.364 0.40 29.83 H new ATOM 0 HB3BALA A 221 76.674 15.530 60.201 0.40 29.83 H new ATOM 1656 N BGLU A 222 79.350 14.236 61.173 0.40 33.92 N ATOM 1657 CA BGLU A 222 79.878 13.105 61.931 0.40 36.91 C ATOM 1658 C BGLU A 222 81.244 13.404 62.536 0.40 36.67 C ATOM 1659 O BGLU A 222 81.681 12.732 63.474 0.40 35.80 O ATOM 1660 CB BGLU A 222 79.938 11.837 61.068 0.40 39.49 C ATOM 1661 CG BGLU A 222 80.401 12.040 59.656 0.40 44.43 C ATOM 1662 CD BGLU A 222 79.787 11.022 58.717 0.40 46.83 C ATOM 1663 OE1BGLU A 222 80.095 9.812 58.838 0.40 47.74 O ATOM 1664 OE2BGLU A 222 78.979 11.436 57.861 0.40 49.33 O ATOM 0 H BGLU A 222 79.379 14.157 60.317 0.40 33.92 H new ATOM 0 HA BGLU A 222 79.263 12.950 62.665 0.40 36.91 H new ATOM 0 HB2BGLU A 222 80.530 11.200 61.498 0.40 39.49 H new ATOM 0 HB3BGLU A 222 79.055 11.436 61.048 0.40 39.49 H new ATOM 0 HG2BGLU A 222 80.166 12.934 59.363 0.40 44.43 H new ATOM 0 HG3BGLU A 222 81.368 11.974 59.619 0.40 44.43 H new TER 1665 GLU A 222 ATOM 1666 N BVAL B 29 63.692 8.571 34.726 0.40 48.09 N ATOM 1667 CA BVAL B 29 63.850 7.533 33.714 0.40 47.51 C ATOM 1668 C BVAL B 29 62.587 7.384 32.875 0.40 46.67 C ATOM 1669 O BVAL B 29 62.631 6.873 31.758 0.40 46.95 O ATOM 1670 CB BVAL B 29 64.197 6.161 34.349 0.40 47.61 C ATOM 1671 CG1BVAL B 29 65.576 6.219 34.984 0.40 48.04 C ATOM 1672 CG2BVAL B 29 63.150 5.773 35.382 0.40 47.54 C ATOM 0 HA BVAL B 29 64.585 7.811 33.145 0.40 47.51 H new ATOM 0 HB BVAL B 29 64.201 5.485 33.653 0.40 47.61 H new ATOM 0 HG11BVAL B 29 65.787 5.359 35.379 0.40 48.04 H new ATOM 0 HG12BVAL B 29 66.236 6.434 34.306 0.40 48.04 H new ATOM 0 HG13BVAL B 29 65.587 6.902 35.673 0.40 48.04 H new ATOM 0 HG21BVAL B 29 63.380 4.914 35.770 0.40 47.54 H new ATOM 0 HG22BVAL B 29 63.120 6.445 36.081 0.40 47.54 H new ATOM 0 HG23BVAL B 29 62.281 5.712 34.955 0.40 47.54 H new ATOM 1673 N BGLY B 30 61.464 7.850 33.412 0.40 46.29 N ATOM 1674 CA BGLY B 30 60.203 7.755 32.695 0.40 44.45 C ATOM 1675 C BGLY B 30 60.059 8.732 31.539 0.40 43.94 C ATOM 1676 O BGLY B 30 59.517 8.386 30.491 0.40 44.86 O ATOM 0 H BGLY B 30 61.413 8.222 34.186 0.40 46.29 H new ATOM 0 HA2BGLY B 30 60.105 6.852 32.354 0.40 44.45 H new ATOM 0 HA3BGLY B 30 59.477 7.903 33.321 0.40 44.45 H new ATOM 1677 N BALA B 31 60.535 9.955 31.718 0.40 42.94 N ATOM 1678 CA BALA B 31 60.433 10.959 30.666 0.40 41.63 C ATOM 1679 C BALA B 31 61.503 10.782 29.588 0.40 41.14 C ATOM 1680 O BALA B 31 61.247 11.025 28.406 0.40 40.32 O ATOM 1681 CB BALA B 31 60.525 12.357 31.270 0.40 41.69 C ATOM 0 H BALA B 31 60.920 10.225 32.438 0.40 42.94 H new ATOM 0 HA BALA B 31 59.571 10.843 30.237 0.40 41.63 H new ATOM 0 HB1BALA B 31 60.456 13.020 30.565 0.40 41.69 H new ATOM 0 HB2BALA B 31 59.802 12.484 31.904 0.40 41.69 H new ATOM 0 HB3BALA B 31 61.375 12.457 31.726 0.40 41.69 H new ATOM 1682 N BLEU B 32 62.696 10.351 29.993 0.40 40.49 N ATOM 1683 CA BLEU B 32 63.795 10.161 29.046 0.40 40.00 C ATOM 1684 C BLEU B 32 63.532 9.010 28.077 0.40 38.67 C ATOM 1685 O BLEU B 32 63.881 9.090 26.895 0.40 37.41 O ATOM 1686 CB BLEU B 32 65.113 9.918 29.793 0.40 40.84 C ATOM 1687 CG BLEU B 32 66.294 10.789 29.332 0.40 43.14 C ATOM 1688 CD1BLEU B 32 67.516 10.492 30.188 0.40 44.01 C ATOM 1689 CD2BLEU B 32 66.594 10.544 27.865 0.40 42.18 C ATOM 0 H BLEU B 32 62.890 10.163 30.809 0.40 40.49 H new ATOM 0 HA BLEU B 32 63.862 10.976 28.525 0.40 40.00 H new ATOM 0 HB2BLEU B 32 64.966 10.072 30.739 0.40 40.84 H new ATOM 0 HB3BLEU B 32 65.359 8.985 29.692 0.40 40.84 H new ATOM 0 HG BLEU B 32 66.058 11.724 29.438 0.40 43.14 H new ATOM 0 HD11BLEU B 32 68.259 11.043 29.895 0.40 44.01 H new ATOM 0 HD12BLEU B 32 67.316 10.688 31.117 0.40 44.01 H new ATOM 0 HD13BLEU B 32 67.754 9.556 30.099 0.40 44.01 H new ATOM 0 HD21BLEU B 32 67.340 11.100 27.590 0.40 42.18 H new ATOM 0 HD22BLEU B 32 66.821 9.610 27.732 0.40 42.18 H new ATOM 0 HD23BLEU B 32 65.813 10.765 27.334 0.40 42.18 H new ATOM 1690 N BTHR B 33 62.924 7.936 28.573 0.40 37.50 N ATOM 1691 CA BTHR B 33 62.622 6.802 27.707 0.40 36.40 C ATOM 1692 C BTHR B 33 61.788 7.316 26.540 0.40 35.64 C ATOM 1693 O BTHR B 33 61.965 6.893 25.397 0.40 34.90 O ATOM 1694 CB BTHR B 33 61.837 5.706 28.454 0.40 36.61 C ATOM 1695 OG1BTHR B 33 62.663 5.131 29.477 0.40 35.23 O ATOM 1696 CG2BTHR B 33 61.393 4.618 27.486 0.40 36.41 C ATOM 0 H BTHR B 33 62.682 7.844 29.393 0.40 37.50 H new ATOM 0 HA BTHR B 33 63.453 6.407 27.401 0.40 36.40 H new ATOM 0 HB BTHR B 33 61.051 6.106 28.858 0.40 36.61 H new ATOM 0 HG1BTHR B 33 62.664 5.632 30.151 0.40 35.23 H new ATOM 0 HG21BTHR B 33 60.901 3.936 27.969 0.40 36.41 H new ATOM 0 HG22BTHR B 33 60.823 5.005 26.803 0.40 36.41 H new ATOM 0 HG23BTHR B 33 62.172 4.219 27.068 0.40 36.41 H new ATOM 1697 N BVAL B 34 60.891 8.254 26.828 0.40 35.82 N ATOM 1698 CA BVAL B 34 60.047 8.819 25.789 0.40 35.27 C ATOM 1699 C BVAL B 34 60.879 9.788 24.955 0.40 35.22 C ATOM 1700 O BVAL B 34 60.570 10.067 23.798 0.40 34.43 O ATOM 1701 CB BVAL B 34 58.831 9.552 26.394 0.40 36.76 C ATOM 1702 CG1BVAL B 34 57.876 9.987 25.279 0.40 36.99 C ATOM 1703 CG2BVAL B 34 58.112 8.628 27.388 0.40 36.35 C ATOM 0 H BVAL B 34 60.758 8.574 27.615 0.40 35.82 H new ATOM 0 HA BVAL B 34 59.710 8.101 25.231 0.40 35.27 H new ATOM 0 HB BVAL B 34 59.134 10.343 26.866 0.40 36.76 H new ATOM 0 HG11BVAL B 34 57.115 10.447 25.666 0.40 36.99 H new ATOM 0 HG12BVAL B 34 58.339 10.584 24.671 0.40 36.99 H new ATOM 0 HG13BVAL B 34 57.569 9.206 24.793 0.40 36.99 H new ATOM 0 HG21BVAL B 34 57.348 9.091 27.767 0.40 36.35 H new ATOM 0 HG22BVAL B 34 57.810 7.830 26.927 0.40 36.35 H new ATOM 0 HG23BVAL B 34 58.723 8.379 28.099 0.40 36.35 H new ATOM 1704 N BLEU B 35 61.950 10.290 25.557 0.40 35.04 N ATOM 1705 CA BLEU B 35 62.849 11.210 24.872 0.40 34.32 C ATOM 1706 C BLEU B 35 63.620 10.432 23.793 0.40 32.09 C ATOM 1707 O BLEU B 35 63.779 10.887 22.660 0.40 29.96 O ATOM 1708 CB BLEU B 35 63.831 11.806 25.880 0.40 36.18 C ATOM 1709 CG BLEU B 35 64.527 13.097 25.463 0.40 38.27 C ATOM 1710 CD1BLEU B 35 63.520 14.245 25.521 0.40 39.62 C ATOM 1711 CD2BLEU B 35 65.707 13.368 26.389 0.40 38.86 C ATOM 0 H BLEU B 35 62.175 10.109 26.367 0.40 35.04 H new ATOM 0 HA BLEU B 35 62.343 11.928 24.461 0.40 34.32 H new ATOM 0 HB2BLEU B 35 63.354 11.971 26.708 0.40 36.18 H new ATOM 0 HB3BLEU B 35 64.511 11.142 26.072 0.40 36.18 H new ATOM 0 HG BLEU B 35 64.863 13.016 24.557 0.40 38.27 H new ATOM 0 HD11BLEU B 35 63.955 15.071 25.257 0.40 39.62 H new ATOM 0 HD12BLEU B 35 62.784 14.061 24.917 0.40 39.62 H new ATOM 0 HD13BLEU B 35 63.181 14.333 26.426 0.40 39.62 H new ATOM 0 HD21BLEU B 35 66.147 14.190 26.121 0.40 38.86 H new ATOM 0 HD22BLEU B 35 65.389 13.455 27.301 0.40 38.86 H new ATOM 0 HD23BLEU B 35 66.337 12.632 26.335 0.40 38.86 H new ATOM 1712 N BPHE B 36 64.094 9.253 24.170 0.40 30.92 N ATOM 1713 CA BPHE B 36 64.847 8.385 23.267 0.40 29.57 C ATOM 1714 C BPHE B 36 63.974 7.885 22.113 0.40 28.37 C ATOM 1715 O BPHE B 36 64.432 7.760 20.972 0.40 27.32 O ATOM 1716 CB BPHE B 36 65.381 7.187 24.043 0.40 29.74 C ATOM 1717 CG BPHE B 36 66.471 6.448 23.336 0.40 32.47 C ATOM 1718 CD1BPHE B 36 67.799 6.859 23.457 0.40 32.41 C ATOM 1719 CD2BPHE B 36 66.177 5.343 22.539 0.40 33.15 C ATOM 1720 CE1BPHE B 36 68.818 6.173 22.791 0.40 33.36 C ATOM 1721 CE2BPHE B 36 67.192 4.651 21.868 0.40 34.13 C ATOM 1722 CZ BPHE B 36 68.515 5.071 21.997 0.40 32.95 C ATOM 0 H BPHE B 36 63.989 8.930 24.960 0.40 30.92 H new ATOM 0 HA BPHE B 36 65.579 8.902 22.895 0.40 29.57 H new ATOM 0 HB2BPHE B 36 65.712 7.491 24.903 0.40 29.74 H new ATOM 0 HB3BPHE B 36 64.650 6.575 24.221 0.40 29.74 H new ATOM 0 HD1BPHE B 36 68.008 7.595 23.985 0.40 32.41 H new ATOM 0 HD2BPHE B 36 65.295 5.062 22.452 0.40 33.15 H new ATOM 0 HE1BPHE B 36 69.700 6.453 22.879 0.40 33.36 H new ATOM 0 HE2BPHE B 36 66.985 3.915 21.339 0.40 34.13 H new ATOM 0 HZ BPHE B 36 69.194 4.616 21.553 0.40 32.95 H new ATOM 1723 N BGLY B 37 62.716 7.588 22.418 0.40 27.62 N ATOM 1724 CA BGLY B 37 61.808 7.105 21.395 0.40 27.14 C ATOM 1725 C BGLY B 37 61.647 8.059 20.227 0.40 27.29 C ATOM 1726 O BGLY B 37 61.798 7.665 19.070 0.40 27.71 O ATOM 0 H BGLY B 37 62.374 7.659 23.204 0.40 27.62 H new ATOM 0 HA2BGLY B 37 62.130 6.252 21.064 0.40 27.14 H new ATOM 0 HA3BGLY B 37 60.939 6.945 21.794 0.40 27.14 H new ATOM 1727 N BALA B 38 61.338 9.318 20.515 0.40 27.47 N ATOM 1728 CA BALA B 38 61.154 10.295 19.446 0.40 28.24 C ATOM 1729 C BALA B 38 62.403 10.348 18.565 0.40 29.09 C ATOM 1730 O BALA B 38 62.312 10.321 17.336 0.40 29.46 O ATOM 1731 CB BALA B 38 60.861 11.665 20.038 0.40 28.49 C ATOM 0 H BALA B 38 61.231 9.625 21.311 0.40 27.47 H new ATOM 0 HA BALA B 38 60.400 10.027 18.898 0.40 28.24 H new ATOM 0 HB1BALA B 38 60.740 12.308 19.322 0.40 28.49 H new ATOM 0 HB2BALA B 38 60.053 11.621 20.572 0.40 28.49 H new ATOM 0 HB3BALA B 38 61.603 11.941 20.598 0.40 28.49 H new ATOM 1732 N BILE B 39 63.570 10.414 19.202 0.40 29.02 N ATOM 1733 CA BILE B 39 64.833 10.459 18.472 0.40 28.74 C ATOM 1734 C BILE B 39 64.989 9.202 17.619 0.40 29.24 C ATOM 1735 O BILE B 39 65.470 9.267 16.485 0.40 29.09 O ATOM 1736 CB BILE B 39 66.022 10.628 19.459 0.40 29.20 C ATOM 1737 CG1BILE B 39 66.043 12.073 19.974 0.40 28.62 C ATOM 1738 CG2BILE B 39 67.341 10.274 18.783 0.40 28.97 C ATOM 1739 CD1BILE B 39 66.925 12.302 21.171 0.40 30.95 C ATOM 0 H BILE B 39 63.651 10.434 20.058 0.40 29.02 H new ATOM 0 HA BILE B 39 64.831 11.226 17.878 0.40 28.74 H new ATOM 0 HB BILE B 39 65.907 10.022 20.208 0.40 29.20 H new ATOM 0 HG12BILE B 39 66.336 12.655 19.256 0.40 28.62 H new ATOM 0 HG13BILE B 39 65.137 12.336 20.200 0.40 28.62 H new ATOM 0 HG21BILE B 39 68.069 10.386 19.415 0.40 28.97 H new ATOM 0 HG22BILE B 39 67.313 9.352 18.482 0.40 28.97 H new ATOM 0 HG23BILE B 39 67.482 10.858 18.022 0.40 28.97 H new ATOM 0 HD11BILE B 39 66.882 13.235 21.431 0.40 30.95 H new ATOM 0 HD12BILE B 39 66.623 11.747 21.907 0.40 30.95 H new ATOM 0 HD13BILE B 39 67.840 12.071 20.948 0.40 30.95 H new ATOM 1740 N BALA B 40 64.569 8.060 18.154 0.40 29.60 N ATOM 1741 CA BALA B 40 64.638 6.807 17.407 0.40 31.45 C ATOM 1742 C BALA B 40 63.652 6.882 16.240 0.40 31.68 C ATOM 1743 O BALA B 40 63.932 6.399 15.140 0.40 32.07 O ATOM 1744 CB BALA B 40 64.286 5.629 18.315 0.40 31.04 C ATOM 0 H BALA B 40 64.241 7.988 18.946 0.40 29.60 H new ATOM 0 HA BALA B 40 65.539 6.674 17.072 0.40 31.45 H new ATOM 0 HB1BALA B 40 64.335 4.803 17.808 0.40 31.04 H new ATOM 0 HB2BALA B 40 64.913 5.592 19.055 0.40 31.04 H new ATOM 0 HB3BALA B 40 63.386 5.743 18.659 0.40 31.04 H new ATOM 1745 N BTYR B 41 62.494 7.485 16.493 0.40 33.60 N ATOM 1746 CA BTYR B 41 61.465 7.649 15.465 0.40 35.15 C ATOM 1747 C BTYR B 41 61.983 8.579 14.373 0.40 33.93 C ATOM 1748 O BTYR B 41 61.821 8.310 13.181 0.40 33.67 O ATOM 1749 CB BTYR B 41 60.182 8.227 16.084 0.40 39.49 C ATOM 1750 CG BTYR B 41 59.298 8.999 15.113 0.40 44.13 C ATOM 1751 CD1BTYR B 41 58.789 8.394 13.962 0.40 46.51 C ATOM 1752 CD2BTYR B 41 58.987 10.343 15.341 0.40 46.40 C ATOM 1753 CE1BTYR B 41 57.993 9.109 13.059 0.40 48.65 C ATOM 1754 CE2BTYR B 41 58.191 11.067 14.445 0.40 48.82 C ATOM 1755 CZ BTYR B 41 57.699 10.444 13.307 0.40 48.80 C ATOM 1756 OH BTYR B 41 56.915 11.151 12.419 0.40 50.93 O ATOM 0 H BTYR B 41 62.282 7.810 17.261 0.40 33.60 H new ATOM 0 HA BTYR B 41 61.259 6.783 15.080 0.40 35.15 H new ATOM 0 HB2BTYR B 41 59.665 7.500 16.465 0.40 39.49 H new ATOM 0 HB3BTYR B 41 60.427 8.814 16.816 0.40 39.49 H new ATOM 0 HD1BTYR B 41 58.982 7.500 13.792 0.40 46.51 H new ATOM 0 HD2BTYR B 41 59.315 10.764 16.102 0.40 46.40 H new ATOM 0 HE1BTYR B 41 57.662 8.692 12.296 0.40 48.65 H new ATOM 0 HE2BTYR B 41 57.993 11.960 14.612 0.40 48.82 H new ATOM 0 HH BTYR B 41 56.820 11.939 12.695 0.40 50.93 H new ATOM 1757 N BGLY B 42 62.604 9.677 14.788 0.40 33.29 N ATOM 1758 CA BGLY B 42 63.142 10.621 13.826 0.40 32.26 C ATOM 1759 C BGLY B 42 64.087 9.918 12.878 0.40 32.80 C ATOM 1760 O BGLY B 42 64.053 10.152 11.670 0.40 32.22 O ATOM 0 H BGLY B 42 62.722 9.890 15.613 0.40 33.29 H new ATOM 0 HA2BGLY B 42 62.419 11.032 13.327 0.40 32.26 H new ATOM 0 HA3BGLY B 42 63.609 11.334 14.289 0.40 32.26 H new ATOM 1761 N BGLU B 43 64.927 9.042 13.425 0.40 32.30 N ATOM 1762 CA BGLU B 43 65.881 8.304 12.611 0.40 33.22 C ATOM 1763 C BGLU B 43 65.166 7.369 11.651 0.40 31.71 C ATOM 1764 O BGLU B 43 65.574 7.199 10.506 0.40 30.57 O ATOM 1765 CB BGLU B 43 66.848 7.506 13.498 0.40 34.02 C ATOM 1766 CG BGLU B 43 68.034 8.321 13.999 0.40 37.38 C ATOM 1767 CD BGLU B 43 69.371 7.585 13.860 0.40 39.73 C ATOM 1768 OE1BGLU B 43 70.405 8.276 13.754 0.40 43.61 O ATOM 1769 OE2BGLU B 43 69.401 6.330 13.864 0.40 40.53 O ATOM 0 H BGLU B 43 64.958 8.862 14.265 0.40 32.30 H new ATOM 0 HA BGLU B 43 66.390 8.948 12.094 0.40 33.22 H new ATOM 0 HB2BGLU B 43 66.361 7.156 14.260 0.40 34.02 H new ATOM 0 HB3BGLU B 43 67.178 6.743 12.998 0.40 34.02 H new ATOM 0 HG2BGLU B 43 68.078 9.155 13.506 0.40 37.38 H new ATOM 0 HG3BGLU B 43 67.892 8.549 14.931 0.40 37.38 H new ATOM 1770 N BVAL B 44 64.104 6.738 12.130 0.40 31.82 N ATOM 1771 CA BVAL B 44 63.334 5.845 11.282 0.40 32.51 C ATOM 1772 C BVAL B 44 62.651 6.734 10.240 0.40 33.71 C ATOM 1773 O BVAL B 44 62.623 6.414 9.055 0.40 32.27 O ATOM 1774 CB BVAL B 44 62.293 5.073 12.117 0.40 32.56 C ATOM 1775 CG1BVAL B 44 61.289 4.387 11.205 0.40 31.68 C ATOM 1776 CG2BVAL B 44 63.012 4.050 12.997 0.40 32.68 C ATOM 0 H BVAL B 44 63.815 6.812 12.936 0.40 31.82 H new ATOM 0 HA BVAL B 44 63.899 5.181 10.857 0.40 32.51 H new ATOM 0 HB BVAL B 44 61.808 5.693 12.683 0.40 32.56 H new ATOM 0 HG11BVAL B 44 60.640 3.905 11.742 0.40 31.68 H new ATOM 0 HG12BVAL B 44 60.833 5.053 10.667 0.40 31.68 H new ATOM 0 HG13BVAL B 44 61.753 3.764 10.623 0.40 31.68 H new ATOM 0 HG21BVAL B 44 62.360 3.562 13.524 0.40 32.68 H new ATOM 0 HG22BVAL B 44 63.504 3.430 12.437 0.40 32.68 H new ATOM 0 HG23BVAL B 44 63.628 4.509 13.589 0.40 32.68 H new ATOM 1777 N BTHR B 45 62.121 7.860 10.704 0.40 35.39 N ATOM 1778 CA BTHR B 45 61.455 8.840 9.841 0.40 37.98 C ATOM 1779 C BTHR B 45 62.327 9.167 8.635 0.40 37.48 C ATOM 1780 O BTHR B 45 61.910 9.006 7.489 0.40 37.40 O ATOM 1781 CB BTHR B 45 61.203 10.167 10.599 0.40 39.92 C ATOM 1782 OG1BTHR B 45 60.277 9.941 11.663 0.40 42.43 O ATOM 1783 CG2BTHR B 45 60.656 11.239 9.659 0.40 41.49 C ATOM 0 H BTHR B 45 62.136 8.082 11.535 0.40 35.39 H new ATOM 0 HA BTHR B 45 60.613 8.447 9.562 0.40 37.98 H new ATOM 0 HB BTHR B 45 62.047 10.480 10.959 0.40 39.92 H new ATOM 0 HG1BTHR B 45 60.615 9.411 12.221 0.40 42.43 H new ATOM 0 HG21BTHR B 45 60.506 12.059 10.155 0.40 41.49 H new ATOM 0 HG22BTHR B 45 61.296 11.404 8.949 0.40 41.49 H new ATOM 0 HG23BTHR B 45 59.818 10.936 9.275 0.40 41.49 H new ATOM 1784 N BALA B 46 63.543 9.629 8.913 0.40 38.18 N ATOM 1785 CA BALA B 46 64.498 10.008 7.878 0.40 38.16 C ATOM 1786 C BALA B 46 64.845 8.856 6.944 0.40 38.61 C ATOM 1787 O BALA B 46 64.846 9.019 5.719 0.40 38.35 O ATOM 1788 CB BALA B 46 65.767 10.554 8.521 0.40 38.90 C ATOM 0 H BALA B 46 63.838 9.732 9.714 0.40 38.18 H new ATOM 0 HA BALA B 46 64.075 10.694 7.338 0.40 38.16 H new ATOM 0 HB1BALA B 46 66.399 10.805 7.829 0.40 38.90 H new ATOM 0 HB2BALA B 46 65.549 11.333 9.057 0.40 38.90 H new ATOM 0 HB3BALA B 46 66.162 9.873 9.087 0.40 38.90 H new ATOM 1789 N BALA B 47 65.143 7.693 7.517 0.40 38.25 N ATOM 1790 CA BALA B 47 65.483 6.533 6.707 0.40 38.95 C ATOM 1791 C BALA B 47 64.354 6.210 5.735 0.40 40.38 C ATOM 1792 O BALA B 47 64.598 5.859 4.579 0.40 39.43 O ATOM 1793 CB BALA B 47 65.765 5.336 7.599 0.40 38.68 C ATOM 0 H BALA B 47 65.154 7.557 8.366 0.40 38.25 H new ATOM 0 HA BALA B 47 66.281 6.738 6.195 0.40 38.95 H new ATOM 0 HB1BALA B 47 65.990 4.569 7.050 0.40 38.68 H new ATOM 0 HB2BALA B 47 66.507 5.540 8.189 0.40 38.68 H new ATOM 0 HB3BALA B 47 64.978 5.134 8.128 0.40 38.68 H new ATOM 1794 N BALA B 48 63.114 6.327 6.205 0.40 41.70 N ATOM 1795 CA BALA B 48 61.967 6.046 5.350 0.40 43.35 C ATOM 1796 C BALA B 48 61.918 7.102 4.255 0.40 44.54 C ATOM 1797 O BALA B 48 61.489 6.835 3.135 0.40 44.41 O ATOM 1798 CB BALA B 48 60.672 6.066 6.171 0.40 42.63 C ATOM 0 H BALA B 48 62.918 6.565 7.008 0.40 41.70 H new ATOM 0 HA BALA B 48 62.055 5.164 4.956 0.40 43.35 H new ATOM 0 HB1BALA B 48 59.918 5.878 5.591 0.40 42.63 H new ATOM 0 HB2BALA B 48 60.720 5.392 6.867 0.40 42.63 H new ATOM 0 HB3BALA B 48 60.558 6.940 6.575 0.40 42.63 H new ATOM 1799 N BALA B 49 62.375 8.302 4.592 0.40 46.31 N ATOM 1800 CA BALA B 49 62.398 9.413 3.649 0.40 47.22 C ATOM 1801 C BALA B 49 63.437 9.200 2.547 0.40 48.32 C ATOM 1802 O BALA B 49 63.857 10.153 1.895 0.40 49.70 O ATOM 1803 CB BALA B 49 62.676 10.714 4.390 0.40 47.29 C ATOM 0 H BALA B 49 62.680 8.495 5.373 0.40 46.31 H new ATOM 0 HA BALA B 49 61.527 9.462 3.224 0.40 47.22 H new ATOM 0 HB1BALA B 49 62.690 11.450 3.758 0.40 47.29 H new ATOM 0 HB2BALA B 49 61.980 10.867 5.048 0.40 47.29 H new ATOM 0 HB3BALA B 49 63.535 10.655 4.836 0.40 47.29 H new ATOM 1804 N BTHR B 50 63.860 7.953 2.348 0.40 48.57 N ATOM 1805 CA BTHR B 50 64.827 7.635 1.296 0.40 48.75 C ATOM 1806 C BTHR B 50 64.320 6.439 0.507 0.40 49.37 C ATOM 1807 O BTHR B 50 65.003 5.937 -0.386 0.40 50.78 O ATOM 1808 CB BTHR B 50 66.223 7.269 1.850 0.40 48.04 C ATOM 1809 OG1BTHR B 50 66.172 5.975 2.465 0.40 47.60 O ATOM 1810 CG2BTHR B 50 66.684 8.297 2.863 0.40 47.94 C ATOM 0 H BTHR B 50 63.600 7.276 2.811 0.40 48.57 H new ATOM 0 HA BTHR B 50 64.917 8.429 0.747 0.40 48.75 H new ATOM 0 HB BTHR B 50 66.855 7.256 1.114 0.40 48.04 H new ATOM 0 HG1BTHR B 50 65.569 5.966 3.050 0.40 47.60 H new ATOM 0 HG21BTHR B 50 67.560 8.051 3.199 0.40 47.94 H new ATOM 0 HG22BTHR B 50 66.734 9.169 2.440 0.40 47.94 H new ATOM 0 HG23BTHR B 50 66.054 8.331 3.600 0.40 47.94 H new ATOM 1811 N BGLY B 51 63.123 5.979 0.854 0.40 48.96 N ATOM 1812 CA BGLY B 51 62.533 4.844 0.168 0.40 47.82 C ATOM 1813 C BGLY B 51 63.400 3.601 0.133 0.40 47.16 C ATOM 1814 O BGLY B 51 63.190 2.718 -0.697 0.40 47.25 O ATOM 0 H BGLY B 51 62.639 6.311 1.483 0.40 48.96 H new ATOM 0 HA2BGLY B 51 61.692 4.624 0.598 0.40 47.82 H new ATOM 0 HA3BGLY B 51 62.326 5.105 -0.743 0.40 47.82 H new ATOM 1815 N BASP B 52 64.371 3.517 1.035 0.40 46.43 N ATOM 1816 CA BASP B 52 65.257 2.360 1.080 0.40 45.27 C ATOM 1817 C BASP B 52 64.951 1.466 2.273 0.40 44.01 C ATOM 1818 O BASP B 52 65.153 1.864 3.418 0.40 43.67 O ATOM 1819 CB BASP B 52 66.712 2.819 1.136 0.40 46.90 C ATOM 1820 CG BASP B 52 67.675 1.666 1.276 0.40 48.66 C ATOM 1821 OD1BASP B 52 67.569 0.709 0.479 0.40 49.54 O ATOM 1822 OD2BASP B 52 68.538 1.717 2.178 0.40 50.84 O ATOM 0 H BASP B 52 64.534 4.118 1.629 0.40 46.43 H new ATOM 0 HA BASP B 52 65.110 1.842 0.273 0.40 45.27 H new ATOM 0 HB2BASP B 52 66.923 3.317 0.330 0.40 46.90 H new ATOM 0 HB3BASP B 52 66.828 3.426 1.883 0.40 46.90 H new ATOM 1823 N BALA B 53 64.472 0.254 1.998 0.40 42.00 N ATOM 1824 CA BALA B 53 64.125 -0.694 3.052 0.40 41.14 C ATOM 1825 C BALA B 53 65.314 -0.980 3.966 0.40 40.07 C ATOM 1826 O BALA B 53 65.198 -0.911 5.194 0.40 39.83 O ATOM 1827 CB BALA B 53 63.604 -2.002 2.439 0.40 40.50 C ATOM 0 H BALA B 53 64.340 -0.039 1.200 0.40 42.00 H new ATOM 0 HA BALA B 53 63.426 -0.292 3.591 0.40 41.14 H new ATOM 0 HB1BALA B 53 63.377 -2.624 3.148 0.40 40.50 H new ATOM 0 HB2BALA B 53 62.815 -1.818 1.906 0.40 40.50 H new ATOM 0 HB3BALA B 53 64.291 -2.392 1.876 0.40 40.50 H new ATOM 1828 N BALA B 54 66.453 -1.300 3.356 0.40 38.30 N ATOM 1829 CA BALA B 54 67.681 -1.603 4.091 0.40 36.54 C ATOM 1830 C BALA B 54 68.023 -0.527 5.123 0.40 34.65 C ATOM 1831 O BALA B 54 68.372 -0.839 6.261 0.40 34.46 O ATOM 1832 CB BALA B 54 68.843 -1.771 3.112 0.40 36.43 C ATOM 0 H BALA B 54 66.536 -1.348 2.501 0.40 38.30 H new ATOM 0 HA BALA B 54 67.532 -2.430 4.575 0.40 36.54 H new ATOM 0 HB1BALA B 54 69.655 -1.972 3.604 0.40 36.43 H new ATOM 0 HB2BALA B 54 68.648 -2.498 2.500 0.40 36.43 H new ATOM 0 HB3BALA B 54 68.965 -0.950 2.610 0.40 36.43 H new ATOM 1833 N BALA B 55 67.922 0.734 4.720 0.40 33.34 N ATOM 1834 CA BALA B 55 68.219 1.850 5.607 0.40 31.83 C ATOM 1835 C BALA B 55 67.250 1.903 6.787 0.40 30.16 C ATOM 1836 O BALA B 55 67.662 2.097 7.931 0.40 29.38 O ATOM 1837 CB BALA B 55 68.167 3.170 4.829 0.40 32.51 C ATOM 0 H BALA B 55 67.680 0.966 3.928 0.40 33.34 H new ATOM 0 HA BALA B 55 69.113 1.717 5.960 0.40 31.83 H new ATOM 0 HB1BALA B 55 68.366 3.907 5.428 0.40 32.51 H new ATOM 0 HB2BALA B 55 68.821 3.150 4.113 0.40 32.51 H new ATOM 0 HB3BALA B 55 67.281 3.290 4.453 0.40 32.51 H new ATOM 1838 N BVAL B 56 65.959 1.732 6.508 0.40 29.23 N ATOM 1839 CA BVAL B 56 64.958 1.772 7.566 0.40 27.06 C ATOM 1840 C BVAL B 56 65.178 0.610 8.523 0.40 25.08 C ATOM 1841 O BVAL B 56 65.119 0.780 9.737 0.40 24.20 O ATOM 1842 CB BVAL B 56 63.518 1.700 6.991 0.40 27.47 C ATOM 1843 CG1BVAL B 56 62.496 1.714 8.133 0.40 27.40 C ATOM 1844 CG2BVAL B 56 63.279 2.880 6.053 0.40 28.40 C ATOM 0 H BVAL B 56 65.646 1.593 5.719 0.40 29.23 H new ATOM 0 HA BVAL B 56 65.055 2.615 8.036 0.40 27.06 H new ATOM 0 HB BVAL B 56 63.414 0.875 6.492 0.40 27.47 H new ATOM 0 HG11BVAL B 56 61.599 1.669 7.766 0.40 27.40 H new ATOM 0 HG12BVAL B 56 62.647 0.950 8.712 0.40 27.40 H new ATOM 0 HG13BVAL B 56 62.594 2.532 8.645 0.40 27.40 H new ATOM 0 HG21BVAL B 56 62.379 2.832 5.695 0.40 28.40 H new ATOM 0 HG22BVAL B 56 63.388 3.710 6.543 0.40 28.40 H new ATOM 0 HG23BVAL B 56 63.918 2.849 5.324 0.40 28.40 H new ATOM 1845 N BGLN B 57 65.430 -0.572 7.977 0.40 25.14 N ATOM 1846 CA BGLN B 57 65.672 -1.744 8.809 0.40 27.76 C ATOM 1847 C BGLN B 57 66.884 -1.485 9.718 0.40 26.71 C ATOM 1848 O BGLN B 57 66.886 -1.858 10.891 0.40 24.85 O ATOM 1849 CB BGLN B 57 65.936 -2.973 7.932 0.40 30.30 C ATOM 1850 CG BGLN B 57 66.068 -4.264 8.708 0.40 35.15 C ATOM 1851 CD BGLN B 57 67.430 -4.910 8.569 0.40 39.14 C ATOM 1852 OE1BGLN B 57 68.456 -4.308 8.893 0.40 43.19 O ATOM 1853 NE2BGLN B 57 67.448 -6.150 8.091 0.40 41.39 N ATOM 0 H BGLN B 57 65.466 -0.718 7.130 0.40 25.14 H new ATOM 0 HA BGLN B 57 64.887 -1.913 9.354 0.40 27.76 H new ATOM 0 HB2BGLN B 57 65.213 -3.064 7.292 0.40 30.30 H new ATOM 0 HB3BGLN B 57 66.749 -2.827 7.423 0.40 30.30 H new ATOM 0 HG2BGLN B 57 65.894 -4.089 9.646 0.40 35.15 H new ATOM 0 HG3BGLN B 57 65.389 -4.887 8.405 0.40 35.15 H new ATOM 0 HE21BGLN B 57 66.712 -6.538 7.875 0.40 41.39 H new ATOM 0 HE22BGLN B 57 68.196 -6.564 7.997 0.40 41.39 H new ATOM 1854 N BGLU B 58 67.915 -0.856 9.157 0.40 26.93 N ATOM 1855 CA BGLU B 58 69.124 -0.537 9.916 0.40 27.74 C ATOM 1856 C BGLU B 58 68.785 0.409 11.062 0.40 26.15 C ATOM 1857 O BGLU B 58 69.229 0.217 12.195 0.40 24.80 O ATOM 1858 CB BGLU B 58 70.165 0.117 9.001 0.40 30.92 C ATOM 1859 CG BGLU B 58 71.016 -0.863 8.216 0.40 36.24 C ATOM 1860 CD BGLU B 58 71.682 -0.216 7.012 0.40 39.61 C ATOM 1861 OE1BGLU B 58 72.123 0.950 7.126 0.40 40.51 O ATOM 1862 OE2BGLU B 58 71.770 -0.879 5.954 0.40 41.37 O ATOM 0 H BGLU B 58 67.935 -0.604 8.335 0.40 26.93 H new ATOM 0 HA BGLU B 58 69.491 -1.359 10.277 0.40 27.74 H new ATOM 0 HB2BGLU B 58 69.708 0.703 8.377 0.40 30.92 H new ATOM 0 HB3BGLU B 58 70.748 0.675 9.540 0.40 30.92 H new ATOM 0 HG2BGLU B 58 71.697 -1.235 8.798 0.40 36.24 H new ATOM 0 HG3BGLU B 58 70.463 -1.602 7.918 0.40 36.24 H new ATOM 1863 N BALA B 59 67.996 1.436 10.753 0.40 25.08 N ATOM 1864 CA BALA B 59 67.575 2.412 11.749 0.40 24.55 C ATOM 1865 C BALA B 59 66.663 1.775 12.804 0.40 23.24 C ATOM 1866 O BALA B 59 66.691 2.156 13.967 0.40 21.79 O ATOM 1867 CB BALA B 59 66.846 3.586 11.063 0.40 24.47 C ATOM 0 H BALA B 59 67.692 1.584 9.962 0.40 25.08 H new ATOM 0 HA BALA B 59 68.369 2.743 12.198 0.40 24.55 H new ATOM 0 HB1BALA B 59 66.569 4.231 11.733 0.40 24.47 H new ATOM 0 HB2BALA B 59 67.445 4.014 10.431 0.40 24.47 H new ATOM 0 HB3BALA B 59 66.065 3.253 10.594 0.40 24.47 H new ATOM 1868 N BALA B 60 65.865 0.798 12.391 0.40 23.15 N ATOM 1869 CA BALA B 60 64.929 0.134 13.299 0.40 22.78 C ATOM 1870 C BALA B 60 65.616 -0.801 14.279 0.40 22.95 C ATOM 1871 O BALA B 60 65.246 -0.862 15.449 0.40 23.20 O ATOM 1872 CB BALA B 60 63.884 -0.633 12.498 0.40 22.02 C ATOM 0 H BALA B 60 65.848 0.501 11.584 0.40 23.15 H new ATOM 0 HA BALA B 60 64.504 0.830 13.823 0.40 22.78 H new ATOM 0 HB1BALA B 60 63.267 -1.070 13.106 0.40 22.02 H new ATOM 0 HB2BALA B 60 63.395 -0.017 11.930 0.40 22.02 H new ATOM 0 HB3BALA B 60 64.323 -1.300 11.948 0.40 22.02 H new ATOM 1873 N BVAL B 61 66.613 -1.539 13.809 0.40 23.41 N ATOM 1874 CA BVAL B 61 67.321 -2.452 14.692 0.40 23.42 C ATOM 1875 C BVAL B 61 68.067 -1.630 15.748 0.40 22.01 C ATOM 1876 O BVAL B 61 68.096 -1.985 16.932 0.40 21.43 O ATOM 1877 CB BVAL B 61 68.298 -3.333 13.898 0.40 24.50 C ATOM 1878 CG1BVAL B 61 69.142 -4.187 14.856 0.40 23.47 C ATOM 1879 CG2BVAL B 61 67.503 -4.241 12.957 0.40 26.77 C ATOM 0 H BVAL B 61 66.891 -1.527 12.995 0.40 23.41 H new ATOM 0 HA BVAL B 61 66.686 -3.043 15.126 0.40 23.42 H new ATOM 0 HB BVAL B 61 68.893 -2.767 13.382 0.40 24.50 H new ATOM 0 HG11BVAL B 61 69.754 -4.738 14.344 0.40 23.47 H new ATOM 0 HG12BVAL B 61 69.647 -3.607 15.447 0.40 23.47 H new ATOM 0 HG13BVAL B 61 68.558 -4.756 15.382 0.40 23.47 H new ATOM 0 HG21BVAL B 61 68.115 -4.800 12.453 0.40 26.77 H new ATOM 0 HG22BVAL B 61 66.906 -4.802 13.476 0.40 26.77 H new ATOM 0 HG23BVAL B 61 66.983 -3.697 12.345 0.40 26.77 H new ATOM 1880 N BSER B 62 68.647 -0.520 15.304 0.40 22.40 N ATOM 1881 CA BSER B 62 69.379 0.391 16.178 0.40 22.27 C ATOM 1882 C BSER B 62 68.470 0.901 17.294 0.40 22.67 C ATOM 1883 O BSER B 62 68.862 0.934 18.465 0.40 24.47 O ATOM 1884 CB BSER B 62 69.909 1.571 15.353 0.40 20.72 C ATOM 1885 OG BSER B 62 70.426 2.585 16.193 0.40 20.84 O ATOM 0 H BSER B 62 68.627 -0.272 14.481 0.40 22.40 H new ATOM 0 HA BSER B 62 70.123 -0.083 16.580 0.40 22.27 H new ATOM 0 HB2BSER B 62 70.602 1.262 14.749 0.40 20.72 H new ATOM 0 HB3BSER B 62 69.195 1.933 14.805 0.40 20.72 H new ATOM 0 HG BSER B 62 70.847 2.234 16.830 0.40 20.84 H new ATOM 1886 N BALA B 63 67.246 1.283 16.927 0.40 22.16 N ATOM 1887 CA BALA B 63 66.268 1.794 17.886 0.40 21.82 C ATOM 1888 C BALA B 63 65.852 0.731 18.898 0.40 20.16 C ATOM 1889 O BALA B 63 65.808 0.989 20.098 0.40 21.85 O ATOM 1890 CB BALA B 63 65.038 2.312 17.147 0.40 21.03 C ATOM 0 H BALA B 63 66.961 1.253 16.116 0.40 22.16 H new ATOM 0 HA BALA B 63 66.688 2.519 18.375 0.40 21.82 H new ATOM 0 HB1BALA B 63 64.393 2.649 17.788 0.40 21.03 H new ATOM 0 HB2BALA B 63 65.299 3.026 16.545 0.40 21.03 H new ATOM 0 HB3BALA B 63 64.639 1.590 16.637 0.40 21.03 H new ATOM 1891 N BILE B 64 65.535 -0.463 18.405 0.40 20.52 N ATOM 1892 CA BILE B 64 65.126 -1.570 19.269 0.40 19.43 C ATOM 1893 C BILE B 64 66.250 -1.907 20.245 0.40 19.36 C ATOM 1894 O BILE B 64 66.034 -1.995 21.461 0.40 20.14 O ATOM 1895 CB BILE B 64 64.790 -2.825 18.429 0.40 20.00 C ATOM 1896 CG1BILE B 64 63.621 -2.521 17.477 0.40 22.38 C ATOM 1897 CG2BILE B 64 64.489 -4.000 19.354 0.40 19.15 C ATOM 1898 CD1BILE B 64 63.210 -3.712 16.574 0.40 20.47 C ATOM 0 H BILE B 64 65.550 -0.655 17.567 0.40 20.52 H new ATOM 0 HA BILE B 64 64.334 -1.297 19.759 0.40 19.43 H new ATOM 0 HB BILE B 64 65.553 -3.071 17.883 0.40 20.00 H new ATOM 0 HG12BILE B 64 62.853 -2.246 18.002 0.40 22.38 H new ATOM 0 HG13BILE B 64 63.863 -1.770 16.913 0.40 22.38 H new ATOM 0 HG21BILE B 64 64.279 -4.784 18.823 0.40 19.15 H new ATOM 0 HG22BILE B 64 65.264 -4.183 19.908 0.40 19.15 H new ATOM 0 HG23BILE B 64 63.732 -3.781 19.920 0.40 19.15 H new ATOM 0 HD11BILE B 64 62.471 -3.447 16.004 0.40 20.47 H new ATOM 0 HD12BILE B 64 63.964 -3.976 16.023 0.40 20.47 H new ATOM 0 HD13BILE B 64 62.938 -4.460 17.128 0.40 20.47 H new ATOM 1899 N BLEU B 65 67.459 -2.107 19.721 0.40 20.71 N ATOM 1900 CA BLEU B 65 68.588 -2.404 20.599 0.40 19.92 C ATOM 1901 C BLEU B 65 68.835 -1.232 21.539 0.40 19.55 C ATOM 1902 O BLEU B 65 69.170 -1.422 22.697 0.40 20.64 O ATOM 1903 CB BLEU B 65 69.851 -2.678 19.788 0.40 22.70 C ATOM 1904 CG BLEU B 65 69.973 -4.055 19.141 0.40 24.21 C ATOM 1905 CD1BLEU B 65 71.146 -4.053 18.163 0.40 25.32 C ATOM 1906 CD2BLEU B 65 70.155 -5.118 20.233 0.40 26.95 C ATOM 0 H BLEU B 65 67.644 -2.076 18.882 0.40 20.71 H new ATOM 0 HA BLEU B 65 68.371 -3.197 21.114 0.40 19.92 H new ATOM 0 HB2BLEU B 65 69.911 -2.009 19.088 0.40 22.70 H new ATOM 0 HB3BLEU B 65 70.617 -2.549 20.369 0.40 22.70 H new ATOM 0 HG BLEU B 65 69.166 -4.266 18.646 0.40 24.21 H new ATOM 0 HD11BLEU B 65 71.225 -4.927 17.751 0.40 25.32 H new ATOM 0 HD12BLEU B 65 70.994 -3.385 17.476 0.40 25.32 H new ATOM 0 HD13BLEU B 65 71.965 -3.845 18.640 0.40 25.32 H new ATOM 0 HD21BLEU B 65 70.233 -5.994 19.823 0.40 26.95 H new ATOM 0 HD22BLEU B 65 70.959 -4.927 20.740 0.40 26.95 H new ATOM 0 HD23BLEU B 65 69.388 -5.107 20.827 0.40 26.95 H new ATOM 1907 N BGLY B 66 68.676 -0.016 21.030 0.40 20.39 N ATOM 1908 CA BGLY B 66 68.888 1.151 21.866 0.40 20.59 C ATOM 1909 C BGLY B 66 67.908 1.190 23.023 0.40 21.61 C ATOM 1910 O BGLY B 66 68.293 1.386 24.171 0.40 19.59 O ATOM 0 H BGLY B 66 68.450 0.151 20.217 0.40 20.39 H new ATOM 0 HA2BGLY B 66 69.795 1.145 22.209 0.40 20.59 H new ATOM 0 HA3BGLY B 66 68.792 1.955 21.332 0.40 20.59 H new ATOM 1911 N BLEU B 67 66.624 1.006 22.726 0.40 20.69 N ATOM 1912 CA BLEU B 67 65.607 1.014 23.769 0.40 22.44 C ATOM 1913 C BLEU B 67 65.856 -0.101 24.782 0.40 22.47 C ATOM 1914 O BLEU B 67 65.676 0.096 25.985 0.40 24.25 O ATOM 1915 CB BLEU B 67 64.216 0.881 23.139 0.40 24.29 C ATOM 1916 CG BLEU B 67 63.770 2.185 22.486 0.40 26.01 C ATOM 1917 CD1BLEU B 67 62.767 1.932 21.377 0.40 28.35 C ATOM 1918 CD2BLEU B 67 63.190 3.079 23.569 0.40 28.22 C ATOM 0 H BLEU B 67 66.324 0.876 21.931 0.40 20.69 H new ATOM 0 HA BLEU B 67 65.655 1.858 24.245 0.40 22.44 H new ATOM 0 HB2BLEU B 67 64.226 0.173 22.476 0.40 24.29 H new ATOM 0 HB3BLEU B 67 63.575 0.623 23.820 0.40 24.29 H new ATOM 0 HG BLEU B 67 64.529 2.624 22.071 0.40 26.01 H new ATOM 0 HD11BLEU B 67 62.502 2.777 20.981 0.40 28.35 H new ATOM 0 HD12BLEU B 67 63.171 1.370 20.698 0.40 28.35 H new ATOM 0 HD13BLEU B 67 61.986 1.487 21.742 0.40 28.35 H new ATOM 0 HD21BLEU B 67 62.899 3.917 23.176 0.40 28.22 H new ATOM 0 HD22BLEU B 67 62.433 2.636 23.983 0.40 28.22 H new ATOM 0 HD23BLEU B 67 63.868 3.256 24.240 0.40 28.22 H new ATOM 1919 N BILE B 68 66.280 -1.267 24.309 0.40 24.15 N ATOM 1920 CA BILE B 68 66.583 -2.362 25.223 0.40 25.41 C ATOM 1921 C BILE B 68 67.716 -1.939 26.178 0.40 25.99 C ATOM 1922 O BILE B 68 67.628 -2.156 27.390 0.40 26.69 O ATOM 1923 CB BILE B 68 67.029 -3.632 24.456 0.40 26.41 C ATOM 1924 CG1BILE B 68 65.833 -4.250 23.723 0.40 28.87 C ATOM 1925 CG2BILE B 68 67.662 -4.630 25.417 0.40 26.83 C ATOM 1926 CD1BILE B 68 66.208 -5.398 22.790 0.40 27.50 C ATOM 0 H BILE B 68 66.398 -1.444 23.476 0.40 24.15 H new ATOM 0 HA BILE B 68 65.776 -2.566 25.720 0.40 25.41 H new ATOM 0 HB BILE B 68 67.695 -3.388 23.795 0.40 26.41 H new ATOM 0 HG12BILE B 68 65.194 -4.572 24.378 0.40 28.87 H new ATOM 0 HG13BILE B 68 65.387 -3.559 23.209 0.40 28.87 H new ATOM 0 HG21BILE B 68 67.938 -5.421 24.927 0.40 26.83 H new ATOM 0 HG22BILE B 68 68.436 -4.226 25.840 0.40 26.83 H new ATOM 0 HG23BILE B 68 67.016 -4.880 26.096 0.40 26.83 H new ATOM 0 HD11BILE B 68 65.408 -5.741 22.361 0.40 27.50 H new ATOM 0 HD12BILE B 68 66.825 -5.077 22.114 0.40 27.50 H new ATOM 0 HD13BILE B 68 66.629 -6.107 23.301 0.40 27.50 H new ATOM 1927 N BILE B 69 68.778 -1.339 25.634 0.40 25.13 N ATOM 1928 CA BILE B 69 69.909 -0.894 26.468 0.40 25.50 C ATOM 1929 C BILE B 69 69.459 0.179 27.458 0.40 26.18 C ATOM 1930 O BILE B 69 69.875 0.182 28.616 0.40 26.23 O ATOM 1931 CB BILE B 69 71.076 -0.336 25.606 0.40 24.49 C ATOM 1932 CG1BILE B 69 71.687 -1.464 24.766 0.40 25.20 C ATOM 1933 CG2BILE B 69 72.168 0.265 26.504 0.40 24.10 C ATOM 1934 CD1BILE B 69 72.738 -0.976 23.766 0.40 25.67 C ATOM 0 H BILE B 69 68.867 -1.180 24.794 0.40 25.13 H new ATOM 0 HA BILE B 69 70.228 -1.672 26.952 0.40 25.50 H new ATOM 0 HB BILE B 69 70.723 0.356 25.025 0.40 24.49 H new ATOM 0 HG12BILE B 69 72.092 -2.116 25.359 0.40 25.20 H new ATOM 0 HG13BILE B 69 70.979 -1.920 24.284 0.40 25.20 H new ATOM 0 HG21BILE B 69 72.888 0.608 25.952 0.40 24.10 H new ATOM 0 HG22BILE B 69 71.792 0.987 27.031 0.40 24.10 H new ATOM 0 HG23BILE B 69 72.514 -0.421 27.096 0.40 24.10 H new ATOM 0 HD11BILE B 69 73.086 -1.732 23.267 0.40 25.67 H new ATOM 0 HD12BILE B 69 72.332 -0.343 23.153 0.40 25.67 H new ATOM 0 HD13BILE B 69 73.463 -0.543 24.244 0.40 25.67 H new ATOM 1935 N BLEU B 70 68.601 1.086 26.999 0.40 27.58 N ATOM 1936 CA BLEU B 70 68.096 2.140 27.863 0.40 30.19 C ATOM 1937 C BLEU B 70 67.440 1.539 29.121 0.40 31.97 C ATOM 1938 O BLEU B 70 67.267 2.224 30.128 0.40 31.27 O ATOM 1939 CB BLEU B 70 67.089 3.001 27.105 0.40 27.02 C ATOM 1940 CG BLEU B 70 66.811 4.378 27.711 0.40 27.79 C ATOM 1941 CD1BLEU B 70 68.046 5.246 27.524 0.40 26.02 C ATOM 1942 CD2BLEU B 70 65.608 5.025 27.038 0.40 27.66 C ATOM 0 H BLEU B 70 68.302 1.106 26.193 0.40 27.58 H new ATOM 0 HA BLEU B 70 68.841 2.696 28.140 0.40 30.19 H new ATOM 0 HB2BLEU B 70 67.410 3.123 26.198 0.40 27.02 H new ATOM 0 HB3BLEU B 70 66.251 2.516 27.047 0.40 27.02 H new ATOM 0 HG BLEU B 70 66.611 4.284 28.655 0.40 27.79 H new ATOM 0 HD11BLEU B 70 67.885 6.124 27.904 0.40 26.02 H new ATOM 0 HD12BLEU B 70 68.802 4.834 27.971 0.40 26.02 H new ATOM 0 HD13BLEU B 70 68.240 5.334 26.578 0.40 26.02 H new ATOM 0 HD21BLEU B 70 65.445 5.896 27.433 0.40 27.66 H new ATOM 0 HD22BLEU B 70 65.784 5.128 26.090 0.40 27.66 H new ATOM 0 HD23BLEU B 70 64.827 4.463 27.162 0.40 27.66 H new ATOM 1943 N BLEU B 71 67.065 0.261 29.048 0.40 35.50 N ATOM 1944 CA BLEU B 71 66.461 -0.446 30.184 0.40 37.49 C ATOM 1945 C BLEU B 71 67.569 -0.738 31.195 0.40 37.66 C ATOM 1946 O BLEU B 71 67.452 -0.440 32.389 0.40 37.60 O ATOM 1947 CB BLEU B 71 65.852 -1.769 29.720 0.40 40.80 C ATOM 1948 CG BLEU B 71 65.417 -2.769 30.800 0.40 42.73 C ATOM 1949 CD1BLEU B 71 64.224 -2.210 31.568 0.40 43.23 C ATOM 1950 CD2BLEU B 71 65.060 -4.101 30.152 0.40 43.44 C ATOM 0 H BLEU B 71 67.153 -0.221 28.341 0.40 35.50 H new ATOM 0 HA BLEU B 71 65.762 0.099 30.578 0.40 37.49 H new ATOM 0 HB2BLEU B 71 65.078 -1.566 29.172 0.40 40.80 H new ATOM 0 HB3BLEU B 71 66.498 -2.211 29.147 0.40 40.80 H new ATOM 0 HG BLEU B 71 66.147 -2.912 31.423 0.40 42.73 H new ATOM 0 HD11BLEU B 71 63.952 -2.844 32.250 0.40 43.23 H new ATOM 0 HD12BLEU B 71 64.473 -1.372 31.988 0.40 43.23 H new ATOM 0 HD13BLEU B 71 63.487 -2.058 30.956 0.40 43.23 H new ATOM 0 HD21BLEU B 71 64.786 -4.731 30.837 0.40 43.44 H new ATOM 0 HD22BLEU B 71 64.333 -3.971 29.523 0.40 43.44 H new ATOM 0 HD23BLEU B 71 65.834 -4.451 29.683 0.40 43.44 H new ATOM 1951 N BGLY B 72 68.649 -1.332 30.702 0.40 38.15 N ATOM 1952 CA BGLY B 72 69.771 -1.638 31.566 0.40 39.14 C ATOM 1953 C BGLY B 72 70.188 -0.383 32.303 0.40 39.01 C ATOM 1954 O BGLY B 72 70.402 -0.404 33.513 0.40 40.50 O ATOM 0 H BGLY B 72 68.749 -1.562 29.879 0.40 38.15 H new ATOM 0 HA2BGLY B 72 69.526 -2.331 32.199 0.40 39.14 H new ATOM 0 HA3BGLY B 72 70.512 -1.980 31.043 0.40 39.14 H new ATOM 1955 N BILE B 73 70.294 0.723 31.577 0.40 38.70 N ATOM 1956 CA BILE B 73 70.693 1.972 32.198 0.40 38.90 C ATOM 1957 C BILE B 73 69.702 2.369 33.285 0.40 40.10 C ATOM 1958 O BILE B 73 70.101 2.685 34.408 0.40 40.35 O ATOM 1959 CB BILE B 73 70.793 3.107 31.158 0.40 37.10 C ATOM 1960 CG1BILE B 73 71.820 2.733 30.081 0.40 35.44 C ATOM 1961 CG2BILE B 73 71.203 4.404 31.843 0.40 37.36 C ATOM 1962 CD1BILE B 73 71.954 3.751 28.971 0.40 33.32 C ATOM 0 H BILE B 73 70.141 0.769 30.732 0.40 38.70 H new ATOM 0 HA BILE B 73 71.568 1.834 32.593 0.40 38.90 H new ATOM 0 HB BILE B 73 69.927 3.234 30.740 0.40 37.10 H new ATOM 0 HG12BILE B 73 72.686 2.613 30.502 0.40 35.44 H new ATOM 0 HG13BILE B 73 71.571 1.879 29.694 0.40 35.44 H new ATOM 0 HG21BILE B 73 71.264 5.113 31.184 0.40 37.36 H new ATOM 0 HG22BILE B 73 70.541 4.640 32.511 0.40 37.36 H new ATOM 0 HG23BILE B 73 72.066 4.286 32.271 0.40 37.36 H new ATOM 0 HD11BILE B 73 72.617 3.448 28.332 0.40 33.32 H new ATOM 0 HD12BILE B 73 71.100 3.857 28.524 0.40 33.32 H new ATOM 0 HD13BILE B 73 72.231 4.602 29.344 0.40 33.32 H new ATOM 1963 N BASN B 74 68.412 2.337 32.959 0.40 40.86 N ATOM 1964 CA BASN B 74 67.386 2.712 33.920 0.40 42.62 C ATOM 1965 C BASN B 74 67.444 1.904 35.207 0.40 44.20 C ATOM 1966 O BASN B 74 67.158 2.420 36.288 0.40 44.91 O ATOM 1967 CB BASN B 74 66.003 2.608 33.279 0.40 42.44 C ATOM 1968 CG BASN B 74 65.752 3.718 32.284 0.40 42.89 C ATOM 1969 OD1BASN B 74 66.610 4.588 32.083 0.40 42.08 O ATOM 1970 ND2BASN B 74 64.577 3.705 31.656 0.40 43.17 N ATOM 0 H BASN B 74 68.113 2.101 32.188 0.40 40.86 H new ATOM 0 HA BASN B 74 67.560 3.633 34.171 0.40 42.62 H new ATOM 0 HB2BASN B 74 65.918 1.751 32.833 0.40 42.44 H new ATOM 0 HB3BASN B 74 65.324 2.636 33.971 0.40 42.44 H new ATOM 0 HD21BASN B 74 64.389 4.318 31.083 0.40 43.17 H new ATOM 0 HD22BASN B 74 64.007 3.083 31.823 0.40 43.17 H new ATOM 1971 N BLEU B 75 67.294 0.360 34.927 0.40 35.22 N ATOM 1972 CA BLEU B 75 67.292 -0.643 35.985 0.40 36.59 C ATOM 1973 C BLEU B 75 68.569 -0.536 36.821 0.40 37.27 C ATOM 1974 O BLEU B 75 68.519 -0.309 38.035 0.40 36.93 O ATOM 1975 CB BLEU B 75 67.188 -2.045 35.381 0.40 38.25 C ATOM 1976 CG BLEU B 75 65.785 -2.640 35.261 0.40 40.46 C ATOM 1977 CD1BLEU B 75 64.846 -1.614 34.663 0.40 40.37 C ATOM 1978 CD2BLEU B 75 65.840 -3.914 34.417 0.40 40.50 C ATOM 0 H BLEU B 75 67.206 0.031 34.137 0.40 35.22 H new ATOM 0 HA BLEU B 75 66.525 -0.485 36.558 0.40 36.59 H new ATOM 0 HB2BLEU B 75 67.584 -2.023 34.496 0.40 38.25 H new ATOM 0 HB3BLEU B 75 67.727 -2.647 35.918 0.40 38.25 H new ATOM 0 HG BLEU B 75 65.448 -2.876 36.139 0.40 40.46 H new ATOM 0 HD11BLEU B 75 63.957 -1.994 34.588 0.40 40.37 H new ATOM 0 HD12BLEU B 75 64.815 -0.831 35.235 0.40 40.37 H new ATOM 0 HD13BLEU B 75 65.163 -1.359 33.783 0.40 40.37 H new ATOM 0 HD21BLEU B 75 64.949 -4.291 34.341 0.40 40.50 H new ATOM 0 HD22BLEU B 75 66.177 -3.702 33.533 0.40 40.50 H new ATOM 0 HD23BLEU B 75 66.428 -4.558 34.841 0.40 40.50 H new ATOM 1979 N BGLY B 76 69.714 -0.697 36.167 0.40 37.43 N ATOM 1980 CA BGLY B 76 70.977 -0.607 36.877 0.40 37.65 C ATOM 1981 C BGLY B 76 71.060 0.660 37.708 0.40 37.24 C ATOM 1982 O BGLY B 76 71.644 0.666 38.791 0.40 37.24 O ATOM 0 H BGLY B 76 69.779 -0.857 35.324 0.40 37.43 H new ATOM 0 HA2BGLY B 76 71.081 -1.380 37.453 0.40 37.65 H new ATOM 0 HA3BGLY B 76 71.709 -0.626 36.241 0.40 37.65 H new ATOM 1983 N BLEU B 77 70.473 1.737 37.195 0.40 38.66 N ATOM 1984 CA BLEU B 77 70.469 3.021 37.889 0.40 40.90 C ATOM 1985 C BLEU B 77 69.528 2.981 39.096 0.40 42.97 C ATOM 1986 O BLEU B 77 69.773 3.629 40.120 0.40 44.15 O ATOM 1987 CB BLEU B 77 70.035 4.125 36.925 0.40 41.68 C ATOM 1988 CG BLEU B 77 69.903 5.532 37.506 0.40 42.37 C ATOM 1989 CD1BLEU B 77 71.218 5.937 38.167 0.40 43.84 C ATOM 1990 CD2BLEU B 77 69.535 6.507 36.397 0.40 44.32 C ATOM 0 H BLEU B 77 70.067 1.744 36.437 0.40 38.66 H new ATOM 0 HA BLEU B 77 71.367 3.205 38.207 0.40 40.90 H new ATOM 0 HB2BLEU B 77 70.673 4.158 36.195 0.40 41.68 H new ATOM 0 HB3BLEU B 77 69.180 3.874 36.543 0.40 41.68 H new ATOM 0 HG BLEU B 77 69.202 5.547 38.177 0.40 42.37 H new ATOM 0 HD11BLEU B 77 71.133 6.830 38.536 0.40 43.84 H new ATOM 0 HD12BLEU B 77 71.428 5.313 38.879 0.40 43.84 H new ATOM 0 HD13BLEU B 77 71.929 5.926 37.507 0.40 43.84 H new ATOM 0 HD21BLEU B 77 69.451 7.400 36.766 0.40 44.32 H new ATOM 0 HD22BLEU B 77 70.228 6.502 35.718 0.40 44.32 H new ATOM 0 HD23BLEU B 77 68.691 6.241 35.999 0.40 44.32 H new ATOM 1991 N BVAL B 78 68.452 2.213 38.972 0.40 43.98 N ATOM 1992 CA BVAL B 78 67.483 2.082 40.053 0.40 45.48 C ATOM 1993 C BVAL B 78 68.071 1.333 41.248 0.40 46.04 C ATOM 1994 O BVAL B 78 67.908 1.755 42.393 0.40 46.98 O ATOM 1995 CB BVAL B 78 66.210 1.335 39.582 0.40 45.68 C ATOM 1996 CG1BVAL B 78 65.409 0.851 40.785 0.40 46.19 C ATOM 1997 CG2BVAL B 78 65.355 2.253 38.715 0.40 45.27 C ATOM 0 H BVAL B 78 68.264 1.758 38.267 0.40 43.98 H new ATOM 0 HA BVAL B 78 67.250 2.984 40.322 0.40 45.48 H new ATOM 0 HB BVAL B 78 66.476 0.565 39.055 0.40 45.68 H new ATOM 0 HG11BVAL B 78 64.615 0.385 40.479 0.40 46.19 H new ATOM 0 HG12BVAL B 78 65.953 0.248 41.315 0.40 46.19 H new ATOM 0 HG13BVAL B 78 65.148 1.612 41.328 0.40 46.19 H new ATOM 0 HG21BVAL B 78 64.561 1.777 38.425 0.40 45.27 H new ATOM 0 HG22BVAL B 78 65.094 3.033 39.229 0.40 45.27 H new ATOM 0 HG23BVAL B 78 65.865 2.533 37.939 0.40 45.27 H new ATOM 1998 N BALA B 79 68.758 0.227 40.974 0.40 46.34 N ATOM 1999 CA BALA B 79 69.358 -0.588 42.026 0.40 47.06 C ATOM 2000 C BALA B 79 70.410 0.171 42.829 0.40 48.14 C ATOM 2001 O BALA B 79 70.847 -0.294 43.886 0.40 48.55 O ATOM 2002 CB BALA B 79 69.972 -1.847 41.424 0.40 46.08 C ATOM 0 H BALA B 79 68.889 -0.071 40.178 0.40 46.34 H new ATOM 0 HA BALA B 79 68.647 -0.828 42.641 0.40 47.06 H new ATOM 0 HB1BALA B 79 70.368 -2.383 42.129 0.40 46.08 H new ATOM 0 HB2BALA B 79 69.282 -2.361 40.976 0.40 46.08 H new ATOM 0 HB3BALA B 79 70.657 -1.599 40.783 0.40 46.08 H new TER 2003 ALA B 79 HETATM 2004 C1 BBOG A 300 87.820 13.346 54.391 0.40 53.64 C HETATM 2005 O1 BBOG A 300 86.547 12.702 54.310 0.40 43.06 O HETATM 2006 C2 BBOG A 300 88.141 13.544 55.878 0.40 55.25 C HETATM 2007 O2 BBOG A 300 87.110 14.331 56.470 0.40 64.56 O HETATM 2008 C3 BBOG A 300 89.505 14.243 56.015 0.40 68.24 C HETATM 2009 O3 BBOG A 300 89.796 14.436 57.396 0.40 58.14 O HETATM 2010 C4 BBOG A 300 90.586 13.361 55.350 0.40 65.78 C HETATM 2011 O4 BBOG A 300 91.871 13.985 55.459 0.40 62.40 O HETATM 2012 C5 BBOG A 300 90.233 13.140 53.832 0.40 56.30 C HETATM 2013 O5 BBOG A 300 88.905 12.519 53.764 0.40 47.39 O HETATM 2014 C6 BBOG A 300 91.286 12.224 53.156 0.40 55.83 C HETATM 2015 O6 BBOG A 300 91.316 12.362 51.731 0.40 69.36 O HETATM 2016 C1'BBOG A 300 86.075 12.483 52.985 0.40 53.36 C HETATM 2017 C2'BBOG A 300 85.400 13.753 52.570 0.40 50.55 C HETATM 2018 C3'BBOG A 300 84.465 13.505 51.445 0.40 51.35 C HETATM 2019 C4'BBOG A 300 83.814 14.797 51.058 0.40 50.20 C HETATM 2020 C5'BBOG A 300 82.832 14.614 49.931 0.40 53.05 C HETATM 2021 C6'BBOG A 300 82.924 15.789 49.001 0.40 49.92 C HETATM 2022 C7'BBOG A 300 81.974 15.654 47.867 0.40 44.35 C HETATM 2023 C8'BBOG A 300 82.125 16.791 46.944 0.40 36.06 C HETATM 0 H8'3BBOG A 300 81.942 17.618 47.416 0.40 36.06 H new HETATM 0 H8'2BBOG A 300 83.032 16.810 46.599 0.40 36.06 H new HETATM 0 H8'1BBOG A 300 81.502 16.695 46.207 0.40 36.06 H new HETATM 0 H7'2BBOG A 300 82.137 14.822 47.396 0.40 44.35 H new HETATM 0 H7'1BBOG A 300 81.064 15.617 48.201 0.40 44.35 H new HETATM 0 H6'2BBOG A 300 82.735 16.606 49.489 0.40 49.92 H new HETATM 0 H6'1BBOG A 300 83.829 15.865 48.660 0.40 49.92 H new HETATM 0 H5'2BBOG A 300 83.023 13.793 49.452 0.40 53.05 H new HETATM 0 H5'1BBOG A 300 81.931 14.535 50.282 0.40 53.05 H new HETATM 0 H4'2BBOG A 300 83.357 15.172 51.827 0.40 50.20 H new HETATM 0 H4'1BBOG A 300 84.495 15.435 50.793 0.40 50.20 H new HETATM 0 H3'2BBOG A 300 84.943 13.131 50.688 0.40 51.35 H new HETATM 0 H3'1BBOG A 300 83.793 12.856 51.705 0.40 51.35 H new HETATM 0 H2'2BBOG A 300 84.916 14.129 53.322 0.40 50.55 H new HETATM 0 H2'1BBOG A 300 86.066 14.407 52.306 0.40 50.55 H new HETATM 0 H1'2BBOG A 300 86.808 12.268 52.387 0.40 53.36 H new HETATM 0 H1'1BBOG A 300 85.457 11.736 52.956 0.40 53.36 H new HETATM 0 HO6BBOG A 300 90.589 12.093 51.408 0.40 69.36 H new HETATM 0 HO4BBOG A 300 92.464 13.395 55.534 0.40 62.40 H new HETATM 0 HO3BBOG A 300 89.085 14.396 57.841 0.40 58.14 H new HETATM 0 HO2BBOG A 300 86.394 14.222 56.044 0.40 64.56 H new HETATM 0 H62BBOG A 300 92.164 12.430 53.514 0.40 55.83 H new HETATM 0 H61BBOG A 300 91.096 11.300 53.382 0.40 55.83 H new HETATM 0 H5 BBOG A 300 90.235 13.989 53.363 0.40 56.30 H new HETATM 0 H4 BBOG A 300 90.612 12.504 55.803 0.40 65.78 H new HETATM 0 H3 BBOG A 300 89.488 15.108 55.577 0.40 68.24 H new HETATM 0 H2 BBOG A 300 88.186 12.688 56.332 0.40 55.25 H new HETATM 0 H1 BBOG A 300 87.780 14.189 53.913 0.40 53.64 H new HETATM 2024 C1 BRET A 301 85.481 -0.069 26.648 0.40 18.39 C HETATM 2025 C2 BRET A 301 85.917 -1.218 25.709 0.40 18.21 C HETATM 2026 C3 BRET A 301 86.674 -2.334 26.352 0.40 18.29 C HETATM 2027 C4 BRET A 301 85.984 -2.907 27.581 0.40 18.74 C HETATM 2028 C5 BRET A 301 85.364 -1.853 28.529 0.40 18.02 C HETATM 2029 C6 BRET A 301 85.200 -0.536 28.116 0.40 17.22 C HETATM 2030 C7 BRET A 301 84.747 0.369 29.187 0.40 15.43 C HETATM 2031 C8 BRET A 301 84.492 1.722 29.198 0.40 16.93 C HETATM 2032 C9 BRET A 301 84.041 2.462 30.357 0.40 18.22 C HETATM 2033 C10BRET A 301 83.876 3.817 30.148 0.40 17.92 C HETATM 2034 C11BRET A 301 83.431 4.667 31.277 0.40 17.88 C HETATM 2035 C12BRET A 301 83.281 6.029 31.027 0.40 20.03 C HETATM 2036 C13BRET A 301 82.835 6.912 32.137 0.40 22.16 C HETATM 2037 C14BRET A 301 82.647 8.245 32.049 0.40 27.32 C HETATM 2038 C15BRET A 301 82.787 9.197 30.990 0.40 29.57 C HETATM 2039 C16BRET A 301 86.646 0.992 26.637 0.40 18.93 C HETATM 2040 C17BRET A 301 84.205 0.550 25.913 0.40 17.30 C HETATM 2041 C18BRET A 301 85.132 -2.485 29.871 0.40 18.87 C HETATM 2042 C19BRET A 301 83.799 1.756 31.666 0.40 16.25 C HETATM 2043 C20BRET A 301 82.553 6.395 33.468 0.40 22.67 C HETATM 0 H203BRET A 301 81.842 5.737 33.416 0.40 22.67 H new HETATM 0 H202BRET A 301 83.351 5.979 33.830 0.40 22.67 H new HETATM 0 H201BRET A 301 82.278 7.123 34.047 0.40 22.67 H new HETATM 0 H193BRET A 301 83.117 1.077 31.546 0.40 16.25 H new HETATM 0 H192BRET A 301 84.622 1.338 31.965 0.40 16.25 H new HETATM 0 H191BRET A 301 83.503 2.398 32.330 0.40 16.25 H new HETATM 0 H183BRET A 301 84.526 -3.236 29.775 0.40 18.87 H new HETATM 0 H182BRET A 301 85.977 -2.796 30.233 0.40 18.87 H new HETATM 0 H181BRET A 301 84.743 -1.832 30.474 0.40 18.87 H new HETATM 0 H173BRET A 301 84.461 0.869 25.034 0.40 17.30 H new HETATM 0 H172BRET A 301 83.521 -0.132 25.822 0.40 17.30 H new HETATM 0 H171BRET A 301 83.857 1.289 26.436 0.40 17.30 H new HETATM 0 H163BRET A 301 87.464 0.578 26.955 0.40 18.93 H new HETATM 0 H162BRET A 301 86.779 1.317 25.733 0.40 18.93 H new HETATM 0 H161BRET A 301 86.413 1.734 27.216 0.40 18.93 H new HETATM 0 H8 BRET A 301 84.624 2.213 28.372 0.40 16.93 H new HETATM 0 H7 BRET A 301 84.602 -0.069 30.040 0.40 15.43 H new HETATM 0 H42BRET A 301 85.285 -3.513 27.290 0.40 18.74 H new HETATM 0 H41BRET A 301 86.627 -3.434 28.081 0.40 18.74 H new HETATM 0 H32BRET A 301 86.804 -3.043 25.703 0.40 18.29 H new HETATM 0 H31BRET A 301 87.555 -2.015 26.604 0.40 18.29 H new HETATM 0 H22BRET A 301 85.125 -1.588 25.289 0.40 18.21 H new HETATM 0 H21BRET A 301 86.465 -0.844 25.001 0.40 18.21 H new HETATM 0 H14BRET A 301 82.354 8.644 32.883 0.40 27.32 H new HETATM 0 H12BRET A 301 83.464 6.394 30.147 0.40 20.03 H new HETATM 0 H11BRET A 301 83.252 4.291 32.153 0.40 17.88 H new HETATM 0 H10BRET A 301 84.049 4.206 29.276 0.40 17.92 H new HETATM 2044 O BHOH A 302 82.338 10.233 26.790 0.40 46.71 O HETATM 2045 O BHOH A 303 80.977 10.943 23.970 0.40 36.13 O HETATM 2046 O BHOH A 304 78.246 10.712 23.022 0.40 30.48 O HETATM 2047 O BHOH A 305 80.813 2.690 25.115 0.40 36.73 O HETATM 2048 O BHOH A 306 82.118 3.700 22.079 0.40 25.68 O HETATM 2049 O BHOH A 307 79.833 2.986 20.714 0.40 24.19 O HETATM 2050 O BHOH A 308 82.977 6.659 18.945 0.40 31.57 O HETATM 2051 O BHOH A 309 81.050 5.441 17.602 0.40 35.45 O HETATM 2052 O BHOH A 310 81.298 6.617 37.583 0.40 20.64 O HETATM 2053 O BHOH A 311 88.868 5.386 25.785 0.40 21.81 O HETATM 2054 O BHOH A 312 93.005 6.149 32.138 0.40 23.90 O HETATM 2055 O BHOH A 313 86.780 0.190 14.300 0.40 43.18 O HETATM 2056 O BHOH A 314 78.738 3.387 12.179 0.40 28.09 O HETATM 2057 O BHOH A 315 76.897 2.008 13.339 0.40 25.26 O HETATM 2058 O BHOH A 316 73.121 8.265 13.040 0.40 27.62 O HETATM 2059 O BHOH A 317 78.667 -1.564 2.627 0.40 48.88 O HETATM 2060 O BHOH A 318 93.409 8.088 49.554 0.40 38.55 O HETATM 2061 O BHOH A 319 82.785 -6.680 13.293 0.40 40.08 O HETATM 2062 O BHOH A 320 92.066 9.284 51.591 0.40 24.21 O HETATM 2063 O BHOH A 321 92.646 9.029 54.018 0.40 49.69 O HETATM 2064 O BHOH A 322 91.038 3.131 54.479 0.40 38.55 O HETATM 2065 O BHOH A 323 87.062 8.257 58.742 0.40 34.31 O HETATM 2066 O BHOH A 324 81.697 6.040 61.934 0.40 31.09 O HETATM 2067 O BHOH A 325 83.044 11.501 58.210 0.40 44.35 O HETATM 2068 O BHOH A 326 84.309 13.270 56.121 0.40 40.45 O HETATM 2069 O BHOH A 327 84.077 16.216 55.686 0.40 33.33 O HETATM 2070 O BHOH A 328 74.403 15.341 53.978 0.40 40.31 O HETATM 2071 O BHOH A 329 75.822 18.339 51.571 0.40 32.87 O HETATM 2072 O BHOH A 330 76.991 8.911 53.534 0.40 40.41 O HETATM 2073 O BHOH A 331 82.288 16.682 53.527 0.40 30.35 O HETATM 2074 O BHOH A 332 81.978 14.871 38.301 0.40 38.72 O HETATM 2075 O BHOH B 124 71.648 -0.431 12.791 0.40 42.47 O HETATM 2076 O BHOH B 125 68.200 4.251 15.188 0.40 32.73 O