USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 Set 1.1: A 93 ASN : amide:sc= -0.917 K(o=-6.4,f=-11!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 132:sc= -5.45! (180deg=-3.21!) USER MOD Set 2.1: A 69 CYS SG : rot -102:sc= -1.63! USER MOD Set 2.2: A 78 GLN : amide:sc= -3.08! C(o=-4.7!,f=-5.7!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -155:sc= -0.192 (180deg=0) USER MOD Set 3.2: A 43 HIS : no HE2:sc= -3.89! C(o=-4.1!,f=-9.1!) USER MOD Set 4.1: A 32 CYS SG : rot -177:sc= 0.477! USER MOD Set 4.2: A 35 CYS SG : rot 70:sc= -0.697! USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0328 (180deg=-0.394) USER MOD Single : A 4 GLN : amide:sc= 0.0118 X(o=0.012,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -1.29 (180deg=-1.75) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.025 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -163:sc= 0.205 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.805 X(o=-0.81,f=-0.54) USER MOD Single : A 62 CYS SG : rot -33:sc= 0.582 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 67 SER OG : rot -16:sc= 0.69! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0878 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.96 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0791) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= 0.615 (180deg=-0.94!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.161) USER MOD Single : A 100 THR OG1 : rot 80:sc= -0.664 USER MOD Single : A 102 ASN : amide:sc= -0.0644 K(o=-0.064,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.240 -0.537 8.899 1.00 0.27 N ATOM 21 CA VAL A 2 -2.914 -0.519 8.220 1.00 0.30 C ATOM 22 C VAL A 2 -1.985 -1.564 8.847 1.00 0.32 C ATOM 23 O VAL A 2 -2.188 -1.985 9.968 1.00 0.57 O ATOM 24 CB VAL A 2 -2.299 0.865 8.377 1.00 0.34 C ATOM 25 CG1 VAL A 2 -1.244 1.075 7.290 1.00 0.16 C ATOM 26 CG2 VAL A 2 -3.393 1.917 8.225 1.00 0.54 C ATOM 0 HA VAL A 2 -3.045 -0.754 7.164 1.00 0.30 H new ATOM 0 HB VAL A 2 -1.835 0.953 9.359 1.00 0.34 H new ATOM 0 HG11 VAL A 2 -0.801 2.065 7.399 1.00 0.16 H new ATOM 0 HG12 VAL A 2 -0.466 0.317 7.386 1.00 0.16 H new ATOM 0 HG13 VAL A 2 -1.711 0.993 6.309 1.00 0.16 H new ATOM 0 HG21 VAL A 2 -2.960 2.911 8.336 1.00 0.54 H new ATOM 0 HG22 VAL A 2 -3.849 1.828 7.239 1.00 0.54 H new ATOM 0 HG23 VAL A 2 -4.153 1.765 8.991 1.00 0.54 H new ATOM 36 N LYS A 3 -0.985 -1.958 8.109 1.00 0.39 N ATOM 37 CA LYS A 3 -0.029 -2.969 8.648 1.00 0.38 C ATOM 38 C LYS A 3 1.369 -2.724 8.073 1.00 0.38 C ATOM 39 O LYS A 3 1.505 -2.199 6.989 1.00 0.40 O ATOM 40 CB LYS A 3 -0.503 -4.369 8.258 1.00 0.37 C ATOM 41 CG LYS A 3 0.066 -5.384 9.253 1.00 0.36 C ATOM 42 CD LYS A 3 0.315 -6.710 8.534 1.00 1.13 C ATOM 43 CE LYS A 3 0.728 -7.764 9.562 1.00 1.09 C ATOM 44 NZ LYS A 3 1.949 -7.327 10.296 1.00 2.68 N ATOM 0 H LYS A 3 -0.788 -1.628 7.164 1.00 0.39 H new ATOM 0 HA LYS A 3 0.012 -2.883 9.734 1.00 0.38 H new ATOM 0 HB2 LYS A 3 -1.592 -4.411 8.259 1.00 0.37 H new ATOM 0 HB3 LYS A 3 -0.175 -4.609 7.247 1.00 0.37 H new ATOM 0 HG2 LYS A 3 0.996 -5.009 9.681 1.00 0.36 H new ATOM 0 HG3 LYS A 3 -0.630 -5.530 10.079 1.00 0.36 H new ATOM 0 HD2 LYS A 3 -0.586 -7.029 8.009 1.00 1.13 H new ATOM 0 HD3 LYS A 3 1.096 -6.590 7.783 1.00 1.13 H new ATOM 0 HE2 LYS A 3 -0.086 -7.932 10.267 1.00 1.09 H new ATOM 0 HE3 LYS A 3 0.918 -8.714 9.062 1.00 1.09 H new ATOM 0 HZ1 LYS A 3 2.362 -8.139 10.798 1.00 2.68 H new ATOM 0 HZ2 LYS A 3 2.643 -6.948 9.621 1.00 2.68 H new ATOM 0 HZ3 LYS A 3 1.695 -6.588 10.983 1.00 2.68 H new ATOM 58 N GLN A 4 2.377 -3.112 8.816 1.00 0.44 N ATOM 59 CA GLN A 4 3.779 -2.907 8.330 1.00 0.45 C ATOM 60 C GLN A 4 4.427 -4.257 7.996 1.00 0.45 C ATOM 61 O GLN A 4 4.225 -5.232 8.693 1.00 0.41 O ATOM 62 CB GLN A 4 4.587 -2.209 9.427 1.00 0.45 C ATOM 63 CG GLN A 4 5.947 -1.777 8.867 1.00 0.36 C ATOM 64 CD GLN A 4 6.070 -0.254 8.962 1.00 0.76 C ATOM 65 OE1 GLN A 4 6.849 0.270 9.733 1.00 0.70 O ATOM 66 NE2 GLN A 4 5.320 0.492 8.197 1.00 2.15 N ATOM 0 H GLN A 4 2.292 -3.558 9.730 1.00 0.44 H new ATOM 0 HA GLN A 4 3.763 -2.293 7.429 1.00 0.45 H new ATOM 0 HB2 GLN A 4 4.042 -1.341 9.797 1.00 0.45 H new ATOM 0 HB3 GLN A 4 4.728 -2.882 10.273 1.00 0.45 H new ATOM 0 HG2 GLN A 4 6.752 -2.254 9.426 1.00 0.36 H new ATOM 0 HG3 GLN A 4 6.045 -2.098 7.830 1.00 0.36 H new ATOM 0 HE21 GLN A 4 4.664 0.059 7.547 1.00 2.15 H new ATOM 0 HE22 GLN A 4 5.390 1.508 8.249 1.00 2.15 H new ATOM 75 N ILE A 5 5.192 -4.278 6.935 1.00 0.50 N ATOM 76 CA ILE A 5 5.865 -5.553 6.528 1.00 0.50 C ATOM 77 C ILE A 5 7.352 -5.501 6.910 1.00 0.52 C ATOM 78 O ILE A 5 7.849 -4.474 7.328 1.00 0.59 O ATOM 79 CB ILE A 5 5.735 -5.733 4.996 1.00 0.42 C ATOM 80 CG1 ILE A 5 4.287 -5.426 4.523 1.00 0.39 C ATOM 81 CG2 ILE A 5 6.106 -7.172 4.606 1.00 0.39 C ATOM 82 CD1 ILE A 5 3.321 -6.550 4.940 1.00 0.50 C ATOM 0 H ILE A 5 5.380 -3.475 6.335 1.00 0.50 H new ATOM 0 HA ILE A 5 5.391 -6.391 7.040 1.00 0.50 H new ATOM 0 HB ILE A 5 6.416 -5.033 4.511 1.00 0.42 H new ATOM 0 HG12 ILE A 5 3.955 -4.479 4.949 1.00 0.39 H new ATOM 0 HG13 ILE A 5 4.271 -5.311 3.439 1.00 0.39 H new ATOM 0 HG21 ILE A 5 6.012 -7.292 3.527 1.00 0.39 H new ATOM 0 HG22 ILE A 5 7.134 -7.377 4.906 1.00 0.39 H new ATOM 0 HG23 ILE A 5 5.435 -7.869 5.108 1.00 0.39 H new ATOM 0 HD11 ILE A 5 2.314 -6.311 4.597 1.00 0.50 H new ATOM 0 HD12 ILE A 5 3.643 -7.491 4.493 1.00 0.50 H new ATOM 0 HD13 ILE A 5 3.321 -6.646 6.026 1.00 0.50 H new ATOM 94 N GLU A 6 8.028 -6.612 6.759 1.00 0.52 N ATOM 95 CA GLU A 6 9.480 -6.640 7.113 1.00 0.56 C ATOM 96 C GLU A 6 10.258 -7.547 6.147 1.00 0.52 C ATOM 97 O GLU A 6 11.416 -7.303 5.868 1.00 0.62 O ATOM 98 CB GLU A 6 9.634 -7.165 8.539 1.00 0.67 C ATOM 99 CG GLU A 6 9.087 -8.594 8.611 1.00 1.00 C ATOM 100 CD GLU A 6 8.407 -8.809 9.965 1.00 1.01 C ATOM 101 OE1 GLU A 6 9.145 -8.944 10.926 1.00 0.96 O ATOM 102 OE2 GLU A 6 7.187 -8.826 9.961 1.00 1.95 O ATOM 0 H GLU A 6 7.644 -7.490 6.411 1.00 0.52 H new ATOM 0 HA GLU A 6 9.882 -5.630 7.038 1.00 0.56 H new ATOM 0 HB2 GLU A 6 10.683 -7.149 8.834 1.00 0.67 H new ATOM 0 HB3 GLU A 6 9.097 -6.522 9.236 1.00 0.67 H new ATOM 0 HG2 GLU A 6 8.376 -8.764 7.803 1.00 1.00 H new ATOM 0 HG3 GLU A 6 9.896 -9.312 8.480 1.00 1.00 H new ATOM 109 N SER A 7 9.606 -8.578 5.661 1.00 0.44 N ATOM 110 CA SER A 7 10.300 -9.512 4.715 1.00 0.48 C ATOM 111 C SER A 7 9.384 -9.856 3.534 1.00 0.34 C ATOM 112 O SER A 7 8.237 -9.457 3.495 1.00 0.32 O ATOM 113 CB SER A 7 10.669 -10.794 5.459 1.00 0.52 C ATOM 114 OG SER A 7 9.531 -11.071 6.262 1.00 0.33 O ATOM 0 H SER A 7 8.636 -8.812 5.875 1.00 0.44 H new ATOM 0 HA SER A 7 11.199 -9.028 4.333 1.00 0.48 H new ATOM 0 HB2 SER A 7 10.876 -11.610 4.767 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.563 -10.658 6.068 1.00 0.52 H new ATOM 0 HG SER A 7 9.686 -11.890 6.778 1.00 0.33 H new ATOM 120 N LYS A 8 9.915 -10.596 2.595 1.00 0.30 N ATOM 121 CA LYS A 8 9.097 -10.975 1.403 1.00 0.30 C ATOM 122 C LYS A 8 8.212 -12.176 1.725 1.00 0.47 C ATOM 123 O LYS A 8 7.044 -12.200 1.393 1.00 0.50 O ATOM 124 CB LYS A 8 10.033 -11.323 0.247 1.00 0.45 C ATOM 125 CG LYS A 8 9.193 -11.714 -0.981 1.00 0.58 C ATOM 126 CD LYS A 8 9.189 -13.246 -1.162 1.00 0.65 C ATOM 127 CE LYS A 8 10.410 -13.672 -1.992 1.00 0.81 C ATOM 128 NZ LYS A 8 11.675 -13.359 -1.270 1.00 2.29 N ATOM 0 H LYS A 8 10.871 -10.952 2.601 1.00 0.30 H new ATOM 0 HA LYS A 8 8.458 -10.137 1.126 1.00 0.30 H new ATOM 0 HB2 LYS A 8 10.671 -10.471 0.010 1.00 0.45 H new ATOM 0 HB3 LYS A 8 10.690 -12.145 0.530 1.00 0.45 H new ATOM 0 HG2 LYS A 8 8.172 -11.353 -0.861 1.00 0.58 H new ATOM 0 HG3 LYS A 8 9.597 -11.237 -1.874 1.00 0.58 H new ATOM 0 HD2 LYS A 8 9.209 -13.737 -0.189 1.00 0.65 H new ATOM 0 HD3 LYS A 8 8.271 -13.561 -1.659 1.00 0.65 H new ATOM 0 HE2 LYS A 8 10.359 -14.741 -2.200 1.00 0.81 H new ATOM 0 HE3 LYS A 8 10.398 -13.159 -2.954 1.00 0.81 H new ATOM 0 HZ1 LYS A 8 12.464 -13.871 -1.714 1.00 2.29 H new ATOM 0 HZ2 LYS A 8 11.857 -12.336 -1.316 1.00 2.29 H new ATOM 0 HZ3 LYS A 8 11.588 -13.651 -0.276 1.00 2.29 H new ATOM 142 N THR A 9 8.788 -13.145 2.363 1.00 0.62 N ATOM 143 CA THR A 9 8.000 -14.355 2.720 1.00 0.84 C ATOM 144 C THR A 9 6.702 -13.939 3.402 1.00 0.84 C ATOM 145 O THR A 9 5.673 -14.565 3.239 1.00 0.95 O ATOM 146 CB THR A 9 8.821 -15.231 3.668 1.00 1.00 C ATOM 147 OG1 THR A 9 9.970 -15.606 2.913 1.00 1.01 O ATOM 148 CG2 THR A 9 8.102 -16.539 3.984 1.00 1.23 C ATOM 0 H THR A 9 9.766 -13.157 2.654 1.00 0.62 H new ATOM 0 HA THR A 9 7.765 -14.917 1.816 1.00 0.84 H new ATOM 0 HB THR A 9 9.019 -14.692 4.595 1.00 1.00 H new ATOM 0 HG1 THR A 9 10.551 -16.174 3.461 1.00 1.01 H new ATOM 0 HG21 THR A 9 8.714 -17.136 4.660 1.00 1.23 H new ATOM 0 HG22 THR A 9 7.144 -16.323 4.457 1.00 1.23 H new ATOM 0 HG23 THR A 9 7.934 -17.094 3.061 1.00 1.23 H new ATOM 156 N ALA A 10 6.785 -12.886 4.152 1.00 0.76 N ATOM 157 CA ALA A 10 5.583 -12.387 4.864 1.00 0.81 C ATOM 158 C ALA A 10 4.657 -11.652 3.893 1.00 0.63 C ATOM 159 O ALA A 10 3.474 -11.926 3.836 1.00 0.65 O ATOM 160 CB ALA A 10 6.020 -11.429 5.962 1.00 0.87 C ATOM 0 H ALA A 10 7.636 -12.345 4.305 1.00 0.76 H new ATOM 0 HA ALA A 10 5.045 -13.232 5.293 1.00 0.81 H new ATOM 0 HB1 ALA A 10 5.142 -11.057 6.491 1.00 0.87 H new ATOM 0 HB2 ALA A 10 6.672 -11.951 6.663 1.00 0.87 H new ATOM 0 HB3 ALA A 10 6.560 -10.591 5.520 1.00 0.87 H new ATOM 166 N PHE A 11 5.217 -10.725 3.158 1.00 0.46 N ATOM 167 CA PHE A 11 4.389 -9.958 2.181 1.00 0.31 C ATOM 168 C PHE A 11 3.433 -10.901 1.453 1.00 0.29 C ATOM 169 O PHE A 11 2.345 -10.520 1.074 1.00 0.20 O ATOM 170 CB PHE A 11 5.313 -9.292 1.165 1.00 0.24 C ATOM 171 CG PHE A 11 4.481 -8.456 0.191 1.00 0.26 C ATOM 172 CD1 PHE A 11 3.838 -7.308 0.622 1.00 0.40 C ATOM 173 CD2 PHE A 11 4.360 -8.836 -1.135 1.00 0.28 C ATOM 174 CE1 PHE A 11 3.088 -6.555 -0.259 1.00 0.51 C ATOM 175 CE2 PHE A 11 3.609 -8.081 -2.012 1.00 0.43 C ATOM 176 CZ PHE A 11 2.975 -6.942 -1.574 1.00 0.53 C ATOM 0 H PHE A 11 6.204 -10.468 3.192 1.00 0.46 H new ATOM 0 HA PHE A 11 3.808 -9.203 2.711 1.00 0.31 H new ATOM 0 HB2 PHE A 11 6.038 -8.659 1.677 1.00 0.24 H new ATOM 0 HB3 PHE A 11 5.878 -10.049 0.621 1.00 0.24 H new ATOM 0 HD1 PHE A 11 3.924 -7.000 1.654 1.00 0.40 H new ATOM 0 HD2 PHE A 11 4.857 -9.729 -1.485 1.00 0.28 H new ATOM 0 HE1 PHE A 11 2.589 -5.661 0.085 1.00 0.51 H new ATOM 0 HE2 PHE A 11 3.519 -8.385 -3.044 1.00 0.43 H new ATOM 0 HZ PHE A 11 2.389 -6.352 -2.262 1.00 0.53 H new ATOM 186 N GLN A 12 3.863 -12.117 1.276 1.00 0.48 N ATOM 187 CA GLN A 12 2.996 -13.107 0.570 1.00 0.61 C ATOM 188 C GLN A 12 1.886 -13.596 1.497 1.00 0.65 C ATOM 189 O GLN A 12 0.772 -13.831 1.073 1.00 0.74 O ATOM 190 CB GLN A 12 3.850 -14.292 0.120 1.00 0.85 C ATOM 191 CG GLN A 12 4.808 -13.831 -0.983 1.00 1.26 C ATOM 192 CD GLN A 12 4.013 -13.538 -2.257 1.00 1.73 C ATOM 193 OE1 GLN A 12 3.844 -12.401 -2.649 1.00 2.80 O ATOM 194 NE2 GLN A 12 3.508 -14.535 -2.931 1.00 1.39 N ATOM 0 H GLN A 12 4.769 -12.469 1.585 1.00 0.48 H new ATOM 0 HA GLN A 12 2.541 -12.629 -0.297 1.00 0.61 H new ATOM 0 HB2 GLN A 12 4.413 -14.692 0.964 1.00 0.85 H new ATOM 0 HB3 GLN A 12 3.213 -15.096 -0.248 1.00 0.85 H new ATOM 0 HG2 GLN A 12 5.346 -12.938 -0.663 1.00 1.26 H new ATOM 0 HG3 GLN A 12 5.555 -14.601 -1.176 1.00 1.26 H new ATOM 0 HE21 GLN A 12 3.647 -15.492 -2.607 1.00 1.39 H new ATOM 0 HE22 GLN A 12 2.975 -14.357 -3.782 1.00 1.39 H new ATOM 203 N GLU A 13 2.217 -13.735 2.742 1.00 0.61 N ATOM 204 CA GLU A 13 1.202 -14.213 3.727 1.00 0.64 C ATOM 205 C GLU A 13 0.214 -13.091 4.065 1.00 0.48 C ATOM 206 O GLU A 13 -0.949 -13.341 4.314 1.00 0.45 O ATOM 207 CB GLU A 13 1.918 -14.665 4.998 1.00 0.76 C ATOM 208 CG GLU A 13 2.870 -15.813 4.653 1.00 1.40 C ATOM 209 CD GLU A 13 2.242 -17.139 5.087 1.00 2.32 C ATOM 210 OE1 GLU A 13 1.203 -17.453 4.529 1.00 3.27 O ATOM 211 OE2 GLU A 13 2.836 -17.762 5.951 1.00 2.28 O ATOM 0 H GLU A 13 3.142 -13.541 3.127 1.00 0.61 H new ATOM 0 HA GLU A 13 0.647 -15.045 3.294 1.00 0.64 H new ATOM 0 HB2 GLU A 13 2.473 -13.834 5.433 1.00 0.76 H new ATOM 0 HB3 GLU A 13 1.192 -14.989 5.744 1.00 0.76 H new ATOM 0 HG2 GLU A 13 3.070 -15.826 3.582 1.00 1.40 H new ATOM 0 HG3 GLU A 13 3.827 -15.670 5.154 1.00 1.40 H new ATOM 218 N ALA A 14 0.696 -11.878 4.068 1.00 0.41 N ATOM 219 CA ALA A 14 -0.208 -10.734 4.389 1.00 0.34 C ATOM 220 C ALA A 14 -1.315 -10.629 3.338 1.00 0.30 C ATOM 221 O ALA A 14 -2.448 -10.319 3.653 1.00 0.36 O ATOM 222 CB ALA A 14 0.606 -9.441 4.405 1.00 0.37 C ATOM 0 H ALA A 14 1.664 -11.630 3.865 1.00 0.41 H new ATOM 0 HA ALA A 14 -0.663 -10.897 5.366 1.00 0.34 H new ATOM 0 HB1 ALA A 14 -0.049 -8.602 4.639 1.00 0.37 H new ATOM 0 HB2 ALA A 14 1.388 -9.513 5.161 1.00 0.37 H new ATOM 0 HB3 ALA A 14 1.060 -9.285 3.427 1.00 0.37 H new ATOM 228 N LEU A 15 -0.965 -10.890 2.110 1.00 0.29 N ATOM 229 CA LEU A 15 -1.986 -10.815 1.025 1.00 0.38 C ATOM 230 C LEU A 15 -2.930 -12.015 1.112 1.00 0.44 C ATOM 231 O LEU A 15 -3.998 -12.012 0.534 1.00 0.58 O ATOM 232 CB LEU A 15 -1.275 -10.820 -0.329 1.00 0.41 C ATOM 233 CG LEU A 15 -0.378 -9.580 -0.443 1.00 0.39 C ATOM 234 CD1 LEU A 15 0.394 -9.645 -1.760 1.00 0.39 C ATOM 235 CD2 LEU A 15 -1.236 -8.310 -0.428 1.00 0.47 C ATOM 0 H LEU A 15 -0.025 -11.150 1.811 1.00 0.29 H new ATOM 0 HA LEU A 15 -2.567 -9.899 1.135 1.00 0.38 H new ATOM 0 HB2 LEU A 15 -0.677 -11.725 -0.434 1.00 0.41 H new ATOM 0 HB3 LEU A 15 -2.008 -10.827 -1.136 1.00 0.41 H new ATOM 0 HG LEU A 15 0.314 -9.556 0.399 1.00 0.39 H new ATOM 0 HD11 LEU A 15 1.034 -8.768 -1.850 1.00 0.39 H new ATOM 0 HD12 LEU A 15 1.008 -10.546 -1.778 1.00 0.39 H new ATOM 0 HD13 LEU A 15 -0.309 -9.668 -2.593 1.00 0.39 H new ATOM 0 HD21 LEU A 15 -0.592 -7.435 -0.509 1.00 0.47 H new ATOM 0 HD22 LEU A 15 -1.929 -8.329 -1.269 1.00 0.47 H new ATOM 0 HD23 LEU A 15 -1.798 -8.262 0.505 1.00 0.47 H new ATOM 247 N ASP A 16 -2.514 -13.014 1.834 1.00 0.41 N ATOM 248 CA ASP A 16 -3.373 -14.227 1.974 1.00 0.52 C ATOM 249 C ASP A 16 -4.207 -14.140 3.255 1.00 0.40 C ATOM 250 O ASP A 16 -5.166 -14.867 3.424 1.00 0.37 O ATOM 251 CB ASP A 16 -2.486 -15.470 2.026 1.00 0.69 C ATOM 252 CG ASP A 16 -3.363 -16.710 2.220 1.00 0.52 C ATOM 253 OD1 ASP A 16 -4.157 -16.954 1.328 1.00 1.33 O ATOM 254 OD2 ASP A 16 -3.190 -17.339 3.250 1.00 0.63 O ATOM 0 H ASP A 16 -1.624 -13.047 2.331 1.00 0.41 H new ATOM 0 HA ASP A 16 -4.046 -14.288 1.119 1.00 0.52 H new ATOM 0 HB2 ASP A 16 -1.910 -15.558 1.105 1.00 0.69 H new ATOM 0 HB3 ASP A 16 -1.770 -15.386 2.843 1.00 0.69 H new ATOM 259 N ALA A 17 -3.821 -13.251 4.125 1.00 0.36 N ATOM 260 CA ALA A 17 -4.573 -13.095 5.408 1.00 0.33 C ATOM 261 C ALA A 17 -5.487 -11.867 5.338 1.00 0.34 C ATOM 262 O ALA A 17 -6.260 -11.612 6.239 1.00 0.39 O ATOM 263 CB ALA A 17 -3.576 -12.922 6.553 1.00 0.44 C ATOM 0 H ALA A 17 -3.023 -12.627 4.008 1.00 0.36 H new ATOM 0 HA ALA A 17 -5.184 -13.981 5.577 1.00 0.33 H new ATOM 0 HB1 ALA A 17 -4.117 -12.808 7.492 1.00 0.44 H new ATOM 0 HB2 ALA A 17 -2.932 -13.799 6.610 1.00 0.44 H new ATOM 0 HB3 ALA A 17 -2.967 -12.036 6.375 1.00 0.44 H new ATOM 269 N ALA A 18 -5.377 -11.132 4.265 1.00 0.38 N ATOM 270 CA ALA A 18 -6.229 -9.917 4.115 1.00 0.52 C ATOM 271 C ALA A 18 -7.608 -10.298 3.569 1.00 0.64 C ATOM 272 O ALA A 18 -8.487 -9.467 3.461 1.00 0.89 O ATOM 273 CB ALA A 18 -5.549 -8.952 3.147 1.00 0.50 C ATOM 0 H ALA A 18 -4.739 -11.318 3.491 1.00 0.38 H new ATOM 0 HA ALA A 18 -6.356 -9.445 5.089 1.00 0.52 H new ATOM 0 HB1 ALA A 18 -6.164 -8.060 3.030 1.00 0.50 H new ATOM 0 HB2 ALA A 18 -4.572 -8.670 3.540 1.00 0.50 H new ATOM 0 HB3 ALA A 18 -5.424 -9.436 2.178 1.00 0.50 H new ATOM 279 N GLY A 19 -7.768 -11.550 3.237 1.00 0.54 N ATOM 280 CA GLY A 19 -9.081 -12.000 2.697 1.00 0.67 C ATOM 281 C GLY A 19 -9.104 -11.860 1.175 1.00 0.53 C ATOM 282 O GLY A 19 -8.329 -12.486 0.481 1.00 0.45 O ATOM 0 H GLY A 19 -7.054 -12.274 3.315 1.00 0.54 H new ATOM 0 HA2 GLY A 19 -9.260 -13.038 2.976 1.00 0.67 H new ATOM 0 HA3 GLY A 19 -9.885 -11.408 3.136 1.00 0.67 H new ATOM 286 N ASP A 20 -9.995 -11.041 0.687 1.00 0.51 N ATOM 287 CA ASP A 20 -10.078 -10.849 -0.792 1.00 0.38 C ATOM 288 C ASP A 20 -10.445 -9.399 -1.134 1.00 0.31 C ATOM 289 O ASP A 20 -10.124 -8.918 -2.202 1.00 0.23 O ATOM 290 CB ASP A 20 -11.135 -11.794 -1.361 1.00 0.41 C ATOM 291 CG ASP A 20 -11.898 -12.452 -0.209 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.819 -11.810 0.266 1.00 2.31 O ATOM 293 OD2 ASP A 20 -11.515 -13.560 0.130 1.00 1.79 O ATOM 0 H ASP A 20 -10.662 -10.502 1.239 1.00 0.51 H new ATOM 0 HA ASP A 20 -9.105 -11.069 -1.231 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -11.824 -11.244 -2.002 1.00 0.41 H new ATOM 0 HB3 ASP A 20 -10.662 -12.556 -1.981 1.00 0.41 H new ATOM 298 N LYS A 21 -11.119 -8.732 -0.228 1.00 0.42 N ATOM 299 CA LYS A 21 -11.492 -7.312 -0.502 1.00 0.45 C ATOM 300 C LYS A 21 -10.275 -6.569 -1.055 1.00 0.36 C ATOM 301 O LYS A 21 -9.187 -7.088 -1.041 1.00 0.33 O ATOM 302 CB LYS A 21 -11.951 -6.650 0.796 1.00 0.64 C ATOM 303 CG LYS A 21 -12.966 -7.558 1.492 1.00 0.47 C ATOM 304 CD LYS A 21 -12.307 -8.203 2.711 1.00 0.38 C ATOM 305 CE LYS A 21 -13.301 -9.158 3.373 1.00 0.58 C ATOM 306 NZ LYS A 21 -12.739 -9.697 4.643 1.00 1.26 N ATOM 0 H LYS A 21 -11.422 -9.102 0.673 1.00 0.42 H new ATOM 0 HA LYS A 21 -12.301 -7.278 -1.231 1.00 0.45 H new ATOM 0 HB2 LYS A 21 -11.097 -6.472 1.449 1.00 0.64 H new ATOM 0 HB3 LYS A 21 -12.399 -5.679 0.584 1.00 0.64 H new ATOM 0 HG2 LYS A 21 -13.839 -6.981 1.798 1.00 0.47 H new ATOM 0 HG3 LYS A 21 -13.317 -8.327 0.804 1.00 0.47 H new ATOM 0 HD2 LYS A 21 -11.410 -8.744 2.411 1.00 0.38 H new ATOM 0 HD3 LYS A 21 -11.995 -7.436 3.419 1.00 0.38 H new ATOM 0 HE2 LYS A 21 -14.237 -8.636 3.575 1.00 0.58 H new ATOM 0 HE3 LYS A 21 -13.534 -9.978 2.694 1.00 0.58 H new ATOM 0 HZ1 LYS A 21 -13.426 -10.344 5.080 1.00 1.26 H new ATOM 0 HZ2 LYS A 21 -11.858 -10.212 4.442 1.00 1.26 H new ATOM 0 HZ3 LYS A 21 -12.539 -8.912 5.295 1.00 1.26 H new ATOM 320 N LEU A 22 -10.480 -5.374 -1.530 1.00 0.34 N ATOM 321 CA LEU A 22 -9.322 -4.610 -2.088 1.00 0.25 C ATOM 322 C LEU A 22 -8.153 -4.589 -1.093 1.00 0.18 C ATOM 323 O LEU A 22 -8.352 -4.504 0.104 1.00 0.14 O ATOM 324 CB LEU A 22 -9.751 -3.172 -2.374 1.00 0.28 C ATOM 325 CG LEU A 22 -11.083 -3.162 -3.129 1.00 1.40 C ATOM 326 CD1 LEU A 22 -11.422 -1.715 -3.484 1.00 2.04 C ATOM 327 CD2 LEU A 22 -10.955 -3.995 -4.410 1.00 1.78 C ATOM 0 H LEU A 22 -11.381 -4.896 -1.558 1.00 0.34 H new ATOM 0 HA LEU A 22 -8.998 -5.099 -3.007 1.00 0.25 H new ATOM 0 HB2 LEU A 22 -9.850 -2.621 -1.439 1.00 0.28 H new ATOM 0 HB3 LEU A 22 -8.986 -2.666 -2.963 1.00 0.28 H new ATOM 0 HG LEU A 22 -11.871 -3.590 -2.510 1.00 1.40 H new ATOM 0 HD11 LEU A 22 -12.369 -1.685 -4.023 1.00 2.04 H new ATOM 0 HD12 LEU A 22 -11.506 -1.126 -2.570 1.00 2.04 H new ATOM 0 HD13 LEU A 22 -10.634 -1.300 -4.112 1.00 2.04 H new ATOM 0 HD21 LEU A 22 -11.904 -3.987 -4.946 1.00 1.78 H new ATOM 0 HD22 LEU A 22 -10.177 -3.570 -5.044 1.00 1.78 H new ATOM 0 HD23 LEU A 22 -10.693 -5.021 -4.152 1.00 1.78 H new ATOM 339 N VAL A 23 -6.957 -4.673 -1.622 1.00 0.21 N ATOM 340 CA VAL A 23 -5.743 -4.638 -0.748 1.00 0.17 C ATOM 341 C VAL A 23 -4.764 -3.616 -1.330 1.00 0.19 C ATOM 342 O VAL A 23 -3.970 -3.938 -2.189 1.00 0.21 O ATOM 343 CB VAL A 23 -5.094 -6.036 -0.728 1.00 0.16 C ATOM 344 CG1 VAL A 23 -3.956 -6.071 0.300 1.00 0.29 C ATOM 345 CG2 VAL A 23 -6.146 -7.080 -0.358 1.00 0.34 C ATOM 0 H VAL A 23 -6.769 -4.764 -2.620 1.00 0.21 H new ATOM 0 HA VAL A 23 -6.010 -4.357 0.271 1.00 0.17 H new ATOM 0 HB VAL A 23 -4.690 -6.256 -1.716 1.00 0.16 H new ATOM 0 HG11 VAL A 23 -3.503 -7.062 0.308 1.00 0.29 H new ATOM 0 HG12 VAL A 23 -3.202 -5.330 0.034 1.00 0.29 H new ATOM 0 HG13 VAL A 23 -4.353 -5.846 1.290 1.00 0.29 H new ATOM 0 HG21 VAL A 23 -5.688 -8.069 -0.344 1.00 0.34 H new ATOM 0 HG22 VAL A 23 -6.552 -6.854 0.628 1.00 0.34 H new ATOM 0 HG23 VAL A 23 -6.950 -7.063 -1.094 1.00 0.34 H new ATOM 355 N VAL A 24 -4.837 -2.406 -0.844 1.00 0.21 N ATOM 356 CA VAL A 24 -3.944 -1.344 -1.401 1.00 0.22 C ATOM 357 C VAL A 24 -2.679 -1.178 -0.552 1.00 0.24 C ATOM 358 O VAL A 24 -2.751 -1.001 0.649 1.00 0.35 O ATOM 359 CB VAL A 24 -4.717 -0.025 -1.438 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.825 1.066 -2.038 1.00 0.22 C ATOM 361 CG2 VAL A 24 -5.973 -0.202 -2.308 1.00 0.20 C ATOM 0 H VAL A 24 -5.465 -2.108 -0.097 1.00 0.21 H new ATOM 0 HA VAL A 24 -3.635 -1.634 -2.405 1.00 0.22 H new ATOM 0 HB VAL A 24 -5.011 0.262 -0.428 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.372 2.008 -2.066 1.00 0.22 H new ATOM 0 HG12 VAL A 24 -2.931 1.183 -1.425 1.00 0.22 H new ATOM 0 HG13 VAL A 24 -3.536 0.784 -3.050 1.00 0.22 H new ATOM 0 HG21 VAL A 24 -6.529 0.735 -2.339 1.00 0.20 H new ATOM 0 HG22 VAL A 24 -5.679 -0.483 -3.319 1.00 0.20 H new ATOM 0 HG23 VAL A 24 -6.603 -0.984 -1.883 1.00 0.20 H new ATOM 371 N VAL A 25 -1.546 -1.214 -1.212 1.00 0.16 N ATOM 372 CA VAL A 25 -0.250 -1.067 -0.478 1.00 0.16 C ATOM 373 C VAL A 25 0.342 0.322 -0.699 1.00 0.14 C ATOM 374 O VAL A 25 0.122 0.941 -1.721 1.00 0.17 O ATOM 375 CB VAL A 25 0.738 -2.113 -0.991 1.00 0.19 C ATOM 376 CG1 VAL A 25 2.071 -1.947 -0.260 1.00 0.14 C ATOM 377 CG2 VAL A 25 0.192 -3.508 -0.717 1.00 0.32 C ATOM 0 H VAL A 25 -1.463 -1.338 -2.221 1.00 0.16 H new ATOM 0 HA VAL A 25 -0.435 -1.207 0.587 1.00 0.16 H new ATOM 0 HB VAL A 25 0.882 -1.981 -2.063 1.00 0.19 H new ATOM 0 HG11 VAL A 25 2.780 -2.691 -0.623 1.00 0.14 H new ATOM 0 HG12 VAL A 25 2.466 -0.948 -0.446 1.00 0.14 H new ATOM 0 HG13 VAL A 25 1.918 -2.083 0.811 1.00 0.14 H new ATOM 0 HG21 VAL A 25 0.898 -4.253 -1.083 1.00 0.32 H new ATOM 0 HG22 VAL A 25 0.050 -3.639 0.356 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -0.763 -3.631 -1.227 1.00 0.32 H new ATOM 387 N ASP A 26 1.085 0.775 0.277 1.00 0.09 N ATOM 388 CA ASP A 26 1.732 2.114 0.167 1.00 0.07 C ATOM 389 C ASP A 26 3.250 1.952 0.245 1.00 0.08 C ATOM 390 O ASP A 26 3.828 1.980 1.315 1.00 0.09 O ATOM 391 CB ASP A 26 1.255 2.998 1.315 1.00 0.07 C ATOM 392 CG ASP A 26 2.057 4.301 1.316 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.066 4.932 0.273 1.00 0.81 O ATOM 394 OD2 ASP A 26 2.614 4.592 2.362 1.00 1.20 O ATOM 0 H ASP A 26 1.271 0.274 1.146 1.00 0.09 H new ATOM 0 HA ASP A 26 1.465 2.574 -0.784 1.00 0.07 H new ATOM 0 HB2 ASP A 26 0.192 3.212 1.207 1.00 0.07 H new ATOM 0 HB3 ASP A 26 1.381 2.479 2.265 1.00 0.07 H new ATOM 399 N PHE A 27 3.857 1.772 -0.889 1.00 0.09 N ATOM 400 CA PHE A 27 5.334 1.605 -0.911 1.00 0.11 C ATOM 401 C PHE A 27 6.016 2.963 -0.742 1.00 0.11 C ATOM 402 O PHE A 27 6.233 3.679 -1.699 1.00 0.15 O ATOM 403 CB PHE A 27 5.729 0.980 -2.240 1.00 0.13 C ATOM 404 CG PHE A 27 5.378 -0.510 -2.215 1.00 0.15 C ATOM 405 CD1 PHE A 27 6.253 -1.424 -1.653 1.00 0.14 C ATOM 406 CD2 PHE A 27 4.182 -0.967 -2.753 1.00 0.17 C ATOM 407 CE1 PHE A 27 5.943 -2.767 -1.629 1.00 0.16 C ATOM 408 CE2 PHE A 27 3.879 -2.317 -2.725 1.00 0.19 C ATOM 409 CZ PHE A 27 4.759 -3.211 -2.165 1.00 0.19 C ATOM 0 H PHE A 27 3.398 1.733 -1.799 1.00 0.09 H new ATOM 0 HA PHE A 27 5.649 0.959 -0.091 1.00 0.11 H new ATOM 0 HB2 PHE A 27 5.208 1.476 -3.059 1.00 0.13 H new ATOM 0 HB3 PHE A 27 6.797 1.112 -2.416 1.00 0.13 H new ATOM 0 HD1 PHE A 27 7.186 -1.082 -1.230 1.00 0.14 H new ATOM 0 HD2 PHE A 27 3.487 -0.268 -3.194 1.00 0.17 H new ATOM 0 HE1 PHE A 27 6.633 -3.471 -1.188 1.00 0.16 H new ATOM 0 HE2 PHE A 27 2.948 -2.669 -3.145 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.520 -4.264 -2.146 1.00 0.19 H new ATOM 419 N SER A 28 6.339 3.288 0.483 1.00 0.13 N ATOM 420 CA SER A 28 7.000 4.599 0.750 1.00 0.13 C ATOM 421 C SER A 28 8.065 4.440 1.839 1.00 0.15 C ATOM 422 O SER A 28 8.264 3.362 2.365 1.00 0.23 O ATOM 423 CB SER A 28 5.944 5.600 1.215 1.00 0.13 C ATOM 424 OG SER A 28 6.550 6.867 1.007 1.00 1.30 O ATOM 0 H SER A 28 6.175 2.706 1.305 1.00 0.13 H new ATOM 0 HA SER A 28 7.478 4.956 -0.162 1.00 0.13 H new ATOM 0 HB2 SER A 28 5.022 5.501 0.643 1.00 0.13 H new ATOM 0 HB3 SER A 28 5.686 5.449 2.263 1.00 0.13 H new ATOM 0 HG SER A 28 5.931 7.575 1.282 1.00 1.30 H new ATOM 430 N ALA A 29 8.727 5.520 2.156 1.00 0.13 N ATOM 431 CA ALA A 29 9.783 5.452 3.211 1.00 0.16 C ATOM 432 C ALA A 29 9.216 5.906 4.562 1.00 0.20 C ATOM 433 O ALA A 29 8.405 6.808 4.627 1.00 0.32 O ATOM 434 CB ALA A 29 10.944 6.361 2.814 1.00 0.17 C ATOM 0 H ALA A 29 8.586 6.439 1.736 1.00 0.13 H new ATOM 0 HA ALA A 29 10.130 4.423 3.305 1.00 0.16 H new ATOM 0 HB1 ALA A 29 11.719 6.317 3.579 1.00 0.17 H new ATOM 0 HB2 ALA A 29 11.356 6.030 1.861 1.00 0.17 H new ATOM 0 HB3 ALA A 29 10.587 7.386 2.718 1.00 0.17 H new ATOM 440 N THR A 30 9.658 5.266 5.614 1.00 0.23 N ATOM 441 CA THR A 30 9.156 5.645 6.969 1.00 0.26 C ATOM 442 C THR A 30 10.142 6.598 7.649 1.00 0.24 C ATOM 443 O THR A 30 9.785 7.337 8.545 1.00 0.40 O ATOM 444 CB THR A 30 9.006 4.382 7.819 1.00 0.30 C ATOM 445 OG1 THR A 30 8.181 4.774 8.912 1.00 0.26 O ATOM 446 CG2 THR A 30 10.336 3.971 8.444 1.00 0.32 C ATOM 0 H THR A 30 10.337 4.505 5.595 1.00 0.23 H new ATOM 0 HA THR A 30 8.192 6.144 6.868 1.00 0.26 H new ATOM 0 HB THR A 30 8.622 3.565 7.208 1.00 0.30 H new ATOM 0 HG1 THR A 30 8.038 4.007 9.506 1.00 0.26 H new ATOM 0 HG21 THR A 30 10.194 3.070 9.041 1.00 0.32 H new ATOM 0 HG22 THR A 30 11.063 3.773 7.656 1.00 0.32 H new ATOM 0 HG23 THR A 30 10.702 4.775 9.082 1.00 0.32 H new ATOM 454 N TRP A 31 11.363 6.556 7.204 1.00 0.20 N ATOM 455 CA TRP A 31 12.401 7.446 7.798 1.00 0.20 C ATOM 456 C TRP A 31 12.292 8.852 7.199 1.00 0.16 C ATOM 457 O TRP A 31 12.321 9.839 7.907 1.00 0.17 O ATOM 458 CB TRP A 31 13.768 6.864 7.468 1.00 0.24 C ATOM 459 CG TRP A 31 13.845 6.645 5.956 1.00 0.21 C ATOM 460 CD1 TRP A 31 13.430 5.541 5.344 1.00 0.22 C ATOM 461 CD2 TRP A 31 14.282 7.535 5.080 1.00 0.20 C ATOM 462 NE1 TRP A 31 13.637 5.800 4.045 1.00 0.18 N ATOM 463 CE2 TRP A 31 14.173 7.040 3.793 1.00 0.18 C ATOM 464 CE3 TRP A 31 14.785 8.815 5.275 1.00 0.22 C ATOM 465 CZ2 TRP A 31 14.556 7.808 2.719 1.00 0.19 C ATOM 466 CZ3 TRP A 31 15.170 9.579 4.193 1.00 0.25 C ATOM 467 CH2 TRP A 31 15.054 9.077 2.917 1.00 0.24 C ATOM 0 H TRP A 31 11.690 5.945 6.455 1.00 0.20 H new ATOM 0 HA TRP A 31 12.261 7.512 8.877 1.00 0.20 H new ATOM 0 HB2 TRP A 31 14.558 7.541 7.794 1.00 0.24 H new ATOM 0 HB3 TRP A 31 13.917 5.922 7.996 1.00 0.24 H new ATOM 0 HD1 TRP A 31 13.022 4.645 5.789 1.00 0.22 H new ATOM 0 HE1 TRP A 31 13.415 5.133 3.306 1.00 0.18 H new ATOM 0 HE3 TRP A 31 14.875 9.213 6.275 1.00 0.22 H new ATOM 0 HZ2 TRP A 31 14.466 7.415 1.717 1.00 0.19 H new ATOM 0 HZ3 TRP A 31 15.563 10.573 4.348 1.00 0.25 H new ATOM 0 HH2 TRP A 31 15.353 9.678 2.071 1.00 0.24 H new ATOM 478 N CYS A 32 12.167 8.907 5.900 1.00 0.14 N ATOM 479 CA CYS A 32 12.064 10.231 5.222 1.00 0.13 C ATOM 480 C CYS A 32 10.954 11.076 5.866 1.00 0.10 C ATOM 481 O CYS A 32 10.119 10.564 6.585 1.00 0.08 O ATOM 482 CB CYS A 32 11.751 10.007 3.746 1.00 0.11 C ATOM 483 SG CYS A 32 12.366 11.234 2.567 1.00 0.88 S ATOM 0 H CYS A 32 12.132 8.096 5.282 1.00 0.14 H new ATOM 0 HA CYS A 32 13.009 10.765 5.325 1.00 0.13 H new ATOM 0 HB2 CYS A 32 12.153 9.035 3.461 1.00 0.11 H new ATOM 0 HB3 CYS A 32 10.668 9.949 3.637 1.00 0.11 H new ATOM 0 HG CYS A 32 11.965 10.925 1.370 1.00 0.88 H new ATOM 489 N GLY A 33 10.971 12.355 5.588 1.00 0.10 N ATOM 490 CA GLY A 33 9.932 13.254 6.180 1.00 0.07 C ATOM 491 C GLY A 33 8.790 13.537 5.184 1.00 0.10 C ATOM 492 O GLY A 33 7.670 13.114 5.387 1.00 0.11 O ATOM 0 H GLY A 33 11.652 12.813 4.983 1.00 0.10 H new ATOM 0 HA2 GLY A 33 9.524 12.795 7.081 1.00 0.07 H new ATOM 0 HA3 GLY A 33 10.393 14.194 6.482 1.00 0.07 H new ATOM 496 N PRO A 34 9.102 14.258 4.122 1.00 0.11 N ATOM 497 CA PRO A 34 8.101 14.611 3.102 1.00 0.15 C ATOM 498 C PRO A 34 7.329 13.377 2.625 1.00 0.18 C ATOM 499 O PRO A 34 6.159 13.464 2.308 1.00 0.19 O ATOM 500 CB PRO A 34 8.903 15.234 1.955 1.00 0.18 C ATOM 501 CG PRO A 34 10.362 15.429 2.467 1.00 0.16 C ATOM 502 CD PRO A 34 10.462 14.755 3.849 1.00 0.10 C ATOM 0 HA PRO A 34 7.351 15.296 3.496 1.00 0.15 H new ATOM 0 HB2 PRO A 34 8.886 14.587 1.078 1.00 0.18 H new ATOM 0 HB3 PRO A 34 8.469 16.188 1.656 1.00 0.18 H new ATOM 0 HG2 PRO A 34 11.075 14.986 1.772 1.00 0.16 H new ATOM 0 HG3 PRO A 34 10.605 16.489 2.539 1.00 0.16 H new ATOM 0 HD2 PRO A 34 11.187 13.941 3.841 1.00 0.10 H new ATOM 0 HD3 PRO A 34 10.786 15.463 4.612 1.00 0.10 H new ATOM 510 N CYS A 35 7.987 12.256 2.581 1.00 0.27 N ATOM 511 CA CYS A 35 7.277 11.024 2.134 1.00 0.31 C ATOM 512 C CYS A 35 6.227 10.626 3.177 1.00 0.30 C ATOM 513 O CYS A 35 5.247 9.982 2.857 1.00 0.27 O ATOM 514 CB CYS A 35 8.283 9.889 1.954 1.00 0.35 C ATOM 515 SG CYS A 35 9.834 10.282 1.108 1.00 0.44 S ATOM 0 H CYS A 35 8.969 12.137 2.830 1.00 0.27 H new ATOM 0 HA CYS A 35 6.781 11.218 1.183 1.00 0.31 H new ATOM 0 HB2 CYS A 35 8.527 9.495 2.940 1.00 0.35 H new ATOM 0 HB3 CYS A 35 7.792 9.087 1.403 1.00 0.35 H new ATOM 0 HG CYS A 35 10.565 11.038 1.872 1.00 0.44 H new ATOM 521 N LYS A 36 6.459 11.020 4.410 1.00 0.44 N ATOM 522 CA LYS A 36 5.485 10.687 5.487 1.00 0.44 C ATOM 523 C LYS A 36 4.586 11.900 5.779 1.00 0.44 C ATOM 524 O LYS A 36 3.863 11.921 6.749 1.00 0.50 O ATOM 525 CB LYS A 36 6.255 10.287 6.756 1.00 0.39 C ATOM 526 CG LYS A 36 5.288 9.660 7.774 1.00 0.34 C ATOM 527 CD LYS A 36 6.075 8.797 8.761 1.00 0.57 C ATOM 528 CE LYS A 36 7.081 9.668 9.518 1.00 0.80 C ATOM 529 NZ LYS A 36 7.211 9.205 10.928 1.00 0.93 N ATOM 0 H LYS A 36 7.275 11.553 4.709 1.00 0.44 H new ATOM 0 HA LYS A 36 4.856 9.857 5.164 1.00 0.44 H new ATOM 0 HB2 LYS A 36 7.044 9.578 6.506 1.00 0.39 H new ATOM 0 HB3 LYS A 36 6.738 11.162 7.191 1.00 0.39 H new ATOM 0 HG2 LYS A 36 4.748 10.442 8.308 1.00 0.34 H new ATOM 0 HG3 LYS A 36 4.543 9.054 7.258 1.00 0.34 H new ATOM 0 HD2 LYS A 36 5.394 8.317 9.463 1.00 0.57 H new ATOM 0 HD3 LYS A 36 6.596 8.001 8.228 1.00 0.57 H new ATOM 0 HE2 LYS A 36 8.052 9.627 9.024 1.00 0.80 H new ATOM 0 HE3 LYS A 36 6.758 10.709 9.499 1.00 0.80 H new ATOM 0 HZ1 LYS A 36 7.897 9.805 11.429 1.00 0.93 H new ATOM 0 HZ2 LYS A 36 6.287 9.267 11.400 1.00 0.93 H new ATOM 0 HZ3 LYS A 36 7.541 8.219 10.941 1.00 0.93 H new ATOM 543 N MET A 37 4.665 12.899 4.943 1.00 0.53 N ATOM 544 CA MET A 37 3.790 14.091 5.157 1.00 0.51 C ATOM 545 C MET A 37 2.395 13.769 4.617 1.00 0.44 C ATOM 546 O MET A 37 1.405 14.340 5.032 1.00 0.40 O ATOM 547 CB MET A 37 4.374 15.295 4.412 1.00 0.57 C ATOM 548 CG MET A 37 3.620 16.565 4.819 1.00 0.91 C ATOM 549 SD MET A 37 3.191 17.733 3.503 1.00 2.24 S ATOM 550 CE MET A 37 1.602 18.269 4.184 1.00 2.91 C ATOM 0 H MET A 37 5.285 12.945 4.134 1.00 0.53 H new ATOM 0 HA MET A 37 3.730 14.331 6.219 1.00 0.51 H new ATOM 0 HB2 MET A 37 5.434 15.399 4.643 1.00 0.57 H new ATOM 0 HB3 MET A 37 4.296 15.142 3.336 1.00 0.57 H new ATOM 0 HG2 MET A 37 2.698 16.265 5.318 1.00 0.91 H new ATOM 0 HG3 MET A 37 4.224 17.094 5.556 1.00 0.91 H new ATOM 0 HE1 MET A 37 1.151 19.006 3.519 1.00 2.91 H new ATOM 0 HE2 MET A 37 0.938 17.410 4.277 1.00 2.91 H new ATOM 0 HE3 MET A 37 1.759 18.714 5.167 1.00 2.91 H new ATOM 560 N ILE A 38 2.362 12.848 3.691 1.00 0.43 N ATOM 561 CA ILE A 38 1.056 12.430 3.090 1.00 0.38 C ATOM 562 C ILE A 38 0.530 11.175 3.825 1.00 0.27 C ATOM 563 O ILE A 38 -0.488 10.620 3.479 1.00 0.34 O ATOM 564 CB ILE A 38 1.286 12.133 1.590 1.00 0.45 C ATOM 565 CG1 ILE A 38 1.290 13.451 0.811 1.00 0.86 C ATOM 566 CG2 ILE A 38 0.167 11.251 1.035 1.00 0.29 C ATOM 567 CD1 ILE A 38 2.309 14.405 1.428 1.00 1.06 C ATOM 0 H ILE A 38 3.182 12.365 3.323 1.00 0.43 H new ATOM 0 HA ILE A 38 0.313 13.221 3.192 1.00 0.38 H new ATOM 0 HB ILE A 38 2.240 11.616 1.483 1.00 0.45 H new ATOM 0 HG12 ILE A 38 1.536 13.267 -0.235 1.00 0.86 H new ATOM 0 HG13 ILE A 38 0.297 13.900 0.831 1.00 0.86 H new ATOM 0 HG21 ILE A 38 0.349 11.054 -0.022 1.00 0.29 H new ATOM 0 HG22 ILE A 38 0.143 10.308 1.581 1.00 0.29 H new ATOM 0 HG23 ILE A 38 -0.789 11.761 1.150 1.00 0.29 H new ATOM 0 HD11 ILE A 38 2.312 15.343 0.873 1.00 1.06 H new ATOM 0 HD12 ILE A 38 2.043 14.599 2.467 1.00 1.06 H new ATOM 0 HD13 ILE A 38 3.301 13.955 1.385 1.00 1.06 H new ATOM 579 N LYS A 39 1.232 10.777 4.855 1.00 0.25 N ATOM 580 CA LYS A 39 0.791 9.570 5.617 1.00 0.24 C ATOM 581 C LYS A 39 -0.600 9.780 6.282 1.00 0.18 C ATOM 582 O LYS A 39 -1.432 8.898 6.238 1.00 0.18 O ATOM 583 CB LYS A 39 1.864 9.211 6.675 1.00 0.34 C ATOM 584 CG LYS A 39 1.207 8.833 8.018 1.00 1.28 C ATOM 585 CD LYS A 39 2.283 8.322 8.974 1.00 1.06 C ATOM 586 CE LYS A 39 1.638 8.012 10.327 1.00 2.50 C ATOM 587 NZ LYS A 39 2.134 6.709 10.856 1.00 2.04 N ATOM 0 H LYS A 39 2.080 11.228 5.198 1.00 0.25 H new ATOM 0 HA LYS A 39 0.682 8.741 4.917 1.00 0.24 H new ATOM 0 HB2 LYS A 39 2.471 8.380 6.316 1.00 0.34 H new ATOM 0 HB3 LYS A 39 2.536 10.057 6.819 1.00 0.34 H new ATOM 0 HG2 LYS A 39 0.703 9.699 8.447 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.447 8.067 7.863 1.00 1.28 H new ATOM 0 HD2 LYS A 39 2.754 7.427 8.567 1.00 1.06 H new ATOM 0 HD3 LYS A 39 3.067 9.069 9.093 1.00 1.06 H new ATOM 0 HE2 LYS A 39 1.865 8.809 11.036 1.00 2.50 H new ATOM 0 HE3 LYS A 39 0.554 7.979 10.221 1.00 2.50 H new ATOM 0 HZ1 LYS A 39 1.429 6.308 11.507 1.00 2.04 H new ATOM 0 HZ2 LYS A 39 2.290 6.051 10.066 1.00 2.04 H new ATOM 0 HZ3 LYS A 39 3.029 6.859 11.364 1.00 2.04 H new ATOM 601 N PRO A 40 -0.834 10.942 6.893 1.00 0.15 N ATOM 602 CA PRO A 40 -2.119 11.195 7.565 1.00 0.10 C ATOM 603 C PRO A 40 -3.285 11.150 6.566 1.00 0.03 C ATOM 604 O PRO A 40 -4.425 11.357 6.934 1.00 0.05 O ATOM 605 CB PRO A 40 -1.985 12.592 8.185 1.00 0.07 C ATOM 606 CG PRO A 40 -0.523 13.069 7.933 1.00 0.10 C ATOM 607 CD PRO A 40 0.126 12.063 6.968 1.00 0.22 C ATOM 0 HA PRO A 40 -2.334 10.436 8.317 1.00 0.10 H new ATOM 0 HB2 PRO A 40 -2.698 13.283 7.735 1.00 0.07 H new ATOM 0 HB3 PRO A 40 -2.201 12.561 9.253 1.00 0.07 H new ATOM 0 HG2 PRO A 40 -0.514 14.072 7.506 1.00 0.10 H new ATOM 0 HG3 PRO A 40 0.033 13.117 8.870 1.00 0.10 H new ATOM 0 HD2 PRO A 40 0.294 12.507 5.987 1.00 0.22 H new ATOM 0 HD3 PRO A 40 1.096 11.730 7.337 1.00 0.22 H new ATOM 615 N PHE A 41 -2.971 10.878 5.325 1.00 0.09 N ATOM 616 CA PHE A 41 -4.045 10.806 4.283 1.00 0.12 C ATOM 617 C PHE A 41 -4.320 9.339 3.906 1.00 0.12 C ATOM 618 O PHE A 41 -5.457 8.908 3.882 1.00 0.11 O ATOM 619 CB PHE A 41 -3.594 11.588 3.055 1.00 0.19 C ATOM 620 CG PHE A 41 -3.634 13.083 3.376 1.00 0.20 C ATOM 621 CD1 PHE A 41 -2.682 13.650 4.205 1.00 0.34 C ATOM 622 CD2 PHE A 41 -4.623 13.885 2.842 1.00 0.14 C ATOM 623 CE1 PHE A 41 -2.722 14.999 4.493 1.00 0.40 C ATOM 624 CE2 PHE A 41 -4.661 15.234 3.131 1.00 0.16 C ATOM 625 CZ PHE A 41 -3.711 15.790 3.956 1.00 0.30 C ATOM 0 H PHE A 41 -2.024 10.703 4.988 1.00 0.09 H new ATOM 0 HA PHE A 41 -4.966 11.238 4.675 1.00 0.12 H new ATOM 0 HB2 PHE A 41 -2.585 11.291 2.769 1.00 0.19 H new ATOM 0 HB3 PHE A 41 -4.244 11.367 2.208 1.00 0.19 H new ATOM 0 HD1 PHE A 41 -1.903 13.033 4.629 1.00 0.34 H new ATOM 0 HD2 PHE A 41 -5.372 13.454 2.194 1.00 0.14 H new ATOM 0 HE1 PHE A 41 -1.976 15.434 5.141 1.00 0.40 H new ATOM 0 HE2 PHE A 41 -5.438 15.854 2.709 1.00 0.16 H new ATOM 0 HZ PHE A 41 -3.742 16.846 4.182 1.00 0.30 H new ATOM 635 N PHE A 42 -3.274 8.604 3.616 1.00 0.18 N ATOM 636 CA PHE A 42 -3.469 7.162 3.257 1.00 0.21 C ATOM 637 C PHE A 42 -3.637 6.338 4.532 1.00 0.23 C ATOM 638 O PHE A 42 -4.303 5.321 4.546 1.00 0.25 O ATOM 639 CB PHE A 42 -2.241 6.650 2.499 1.00 0.24 C ATOM 640 CG PHE A 42 -2.351 5.125 2.337 1.00 0.16 C ATOM 641 CD1 PHE A 42 -3.239 4.581 1.424 1.00 0.17 C ATOM 642 CD2 PHE A 42 -1.565 4.268 3.101 1.00 0.12 C ATOM 643 CE1 PHE A 42 -3.341 3.213 1.277 1.00 0.14 C ATOM 644 CE2 PHE A 42 -1.673 2.900 2.948 1.00 0.05 C ATOM 645 CZ PHE A 42 -2.559 2.374 2.039 1.00 0.09 C ATOM 0 H PHE A 42 -2.308 8.932 3.612 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.357 7.067 2.632 1.00 0.21 H new ATOM 0 HB2 PHE A 42 -2.176 7.128 1.522 1.00 0.24 H new ATOM 0 HB3 PHE A 42 -1.331 6.906 3.041 1.00 0.24 H new ATOM 0 HD1 PHE A 42 -3.856 5.232 0.823 1.00 0.17 H new ATOM 0 HD2 PHE A 42 -0.867 4.675 3.817 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -4.036 2.799 0.562 1.00 0.14 H new ATOM 0 HE2 PHE A 42 -1.059 2.241 3.545 1.00 0.05 H new ATOM 0 HZ PHE A 42 -2.642 1.304 1.922 1.00 0.09 H new ATOM 655 N HIS A 43 -3.022 6.806 5.575 1.00 0.22 N ATOM 656 CA HIS A 43 -3.098 6.088 6.875 1.00 0.23 C ATOM 657 C HIS A 43 -4.367 6.502 7.634 1.00 0.14 C ATOM 658 O HIS A 43 -4.660 5.987 8.694 1.00 0.22 O ATOM 659 CB HIS A 43 -1.865 6.468 7.685 1.00 0.33 C ATOM 660 CG HIS A 43 -1.669 5.492 8.841 1.00 0.36 C ATOM 661 ND1 HIS A 43 -2.551 4.728 9.294 1.00 0.25 N ATOM 662 CD2 HIS A 43 -0.539 5.243 9.600 1.00 0.51 C ATOM 663 CE1 HIS A 43 -2.104 4.026 10.254 1.00 0.30 C ATOM 664 NE2 HIS A 43 -0.825 4.286 10.520 1.00 0.47 N ATOM 0 H HIS A 43 -2.466 7.661 5.585 1.00 0.22 H new ATOM 0 HA HIS A 43 -3.135 5.011 6.712 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -0.984 6.463 7.043 1.00 0.33 H new ATOM 0 HB3 HIS A 43 -1.973 7.482 8.070 1.00 0.33 H new ATOM 0 HD1 HIS A 43 -3.506 4.676 8.938 1.00 0.25 H new ATOM 0 HD2 HIS A 43 0.417 5.731 9.480 1.00 0.51 H new ATOM 0 HE1 HIS A 43 -2.694 3.300 10.794 1.00 0.30 H new ATOM 672 N SER A 44 -5.089 7.430 7.071 1.00 0.26 N ATOM 673 CA SER A 44 -6.340 7.900 7.741 1.00 0.18 C ATOM 674 C SER A 44 -7.551 7.084 7.272 1.00 0.12 C ATOM 675 O SER A 44 -8.577 7.063 7.922 1.00 0.07 O ATOM 676 CB SER A 44 -6.557 9.374 7.406 1.00 0.23 C ATOM 677 OG SER A 44 -7.947 9.577 7.610 1.00 1.23 O ATOM 0 H SER A 44 -4.872 7.882 6.183 1.00 0.26 H new ATOM 0 HA SER A 44 -6.235 7.769 8.818 1.00 0.18 H new ATOM 0 HB2 SER A 44 -5.961 10.021 8.050 1.00 0.23 H new ATOM 0 HB3 SER A 44 -6.269 9.595 6.378 1.00 0.23 H new ATOM 0 HG SER A 44 -8.173 10.510 7.416 1.00 1.23 H new ATOM 683 N LEU A 45 -7.407 6.429 6.156 1.00 0.24 N ATOM 684 CA LEU A 45 -8.545 5.610 5.636 1.00 0.30 C ATOM 685 C LEU A 45 -8.751 4.383 6.527 1.00 0.32 C ATOM 686 O LEU A 45 -9.725 3.669 6.394 1.00 0.40 O ATOM 687 CB LEU A 45 -8.236 5.153 4.209 1.00 0.41 C ATOM 688 CG LEU A 45 -8.033 6.380 3.309 1.00 0.60 C ATOM 689 CD1 LEU A 45 -7.132 5.997 2.132 1.00 0.17 C ATOM 690 CD2 LEU A 45 -9.389 6.846 2.765 1.00 1.02 C ATOM 0 H LEU A 45 -6.563 6.422 5.584 1.00 0.24 H new ATOM 0 HA LEU A 45 -9.452 6.215 5.639 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -7.341 4.531 4.201 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -9.053 4.540 3.827 1.00 0.41 H new ATOM 0 HG LEU A 45 -7.573 7.182 3.887 1.00 0.60 H new ATOM 0 HD11 LEU A 45 -6.984 6.865 1.489 1.00 0.17 H new ATOM 0 HD12 LEU A 45 -6.168 5.656 2.508 1.00 0.17 H new ATOM 0 HD13 LEU A 45 -7.602 5.197 1.559 1.00 0.17 H new ATOM 0 HD21 LEU A 45 -9.245 7.717 2.126 1.00 1.02 H new ATOM 0 HD22 LEU A 45 -9.844 6.043 2.186 1.00 1.02 H new ATOM 0 HD23 LEU A 45 -10.043 7.110 3.596 1.00 1.02 H new ATOM 702 N SER A 46 -7.825 4.169 7.417 1.00 0.26 N ATOM 703 CA SER A 46 -7.941 2.997 8.332 1.00 0.27 C ATOM 704 C SER A 46 -9.319 2.974 9.000 1.00 0.30 C ATOM 705 O SER A 46 -9.797 1.933 9.404 1.00 0.27 O ATOM 706 CB SER A 46 -6.864 3.105 9.407 1.00 0.32 C ATOM 707 OG SER A 46 -6.941 1.871 10.103 1.00 0.33 O ATOM 0 H SER A 46 -6.997 4.749 7.552 1.00 0.26 H new ATOM 0 HA SER A 46 -7.815 2.080 7.757 1.00 0.27 H new ATOM 0 HB2 SER A 46 -5.877 3.254 8.968 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.048 3.949 10.072 1.00 0.32 H new ATOM 0 HG SER A 46 -6.272 1.857 10.819 1.00 0.33 H new ATOM 713 N GLU A 47 -9.928 4.129 9.096 1.00 0.43 N ATOM 714 CA GLU A 47 -11.273 4.206 9.749 1.00 0.47 C ATOM 715 C GLU A 47 -12.377 4.396 8.702 1.00 0.47 C ATOM 716 O GLU A 47 -13.415 3.767 8.772 1.00 0.46 O ATOM 717 CB GLU A 47 -11.284 5.390 10.712 1.00 0.54 C ATOM 718 CG GLU A 47 -10.598 4.982 12.017 1.00 0.65 C ATOM 719 CD GLU A 47 -10.267 6.236 12.829 1.00 1.29 C ATOM 720 OE1 GLU A 47 -9.215 6.793 12.558 1.00 2.32 O ATOM 721 OE2 GLU A 47 -11.083 6.567 13.673 1.00 1.50 O ATOM 0 H GLU A 47 -9.557 5.016 8.754 1.00 0.43 H new ATOM 0 HA GLU A 47 -11.461 3.275 10.284 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -10.769 6.241 10.267 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -12.309 5.705 10.909 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -11.249 4.324 12.593 1.00 0.65 H new ATOM 0 HG3 GLU A 47 -9.687 4.423 11.803 1.00 0.65 H new ATOM 728 N LYS A 48 -12.130 5.255 7.754 1.00 0.47 N ATOM 729 CA LYS A 48 -13.164 5.505 6.705 1.00 0.48 C ATOM 730 C LYS A 48 -13.622 4.184 6.075 1.00 0.44 C ATOM 731 O LYS A 48 -14.784 3.833 6.143 1.00 0.52 O ATOM 732 CB LYS A 48 -12.573 6.408 5.628 1.00 0.51 C ATOM 733 CG LYS A 48 -13.584 7.509 5.276 1.00 0.43 C ATOM 734 CD LYS A 48 -14.852 6.875 4.691 1.00 2.04 C ATOM 735 CE LYS A 48 -15.546 7.894 3.782 1.00 2.11 C ATOM 736 NZ LYS A 48 -17.020 7.671 3.780 1.00 3.23 N ATOM 0 H LYS A 48 -11.268 5.791 7.657 1.00 0.47 H new ATOM 0 HA LYS A 48 -14.027 5.987 7.164 1.00 0.48 H new ATOM 0 HB2 LYS A 48 -11.642 6.853 5.981 1.00 0.51 H new ATOM 0 HB3 LYS A 48 -12.331 5.824 4.740 1.00 0.51 H new ATOM 0 HG2 LYS A 48 -13.832 8.087 6.166 1.00 0.43 H new ATOM 0 HG3 LYS A 48 -13.147 8.202 4.557 1.00 0.43 H new ATOM 0 HD2 LYS A 48 -14.598 5.978 4.126 1.00 2.04 H new ATOM 0 HD3 LYS A 48 -15.523 6.567 5.493 1.00 2.04 H new ATOM 0 HE2 LYS A 48 -15.325 8.905 4.124 1.00 2.11 H new ATOM 0 HE3 LYS A 48 -15.158 7.809 2.767 1.00 2.11 H new ATOM 0 HZ1 LYS A 48 -17.476 8.370 3.159 1.00 3.23 H new ATOM 0 HZ2 LYS A 48 -17.226 6.713 3.432 1.00 3.23 H new ATOM 0 HZ3 LYS A 48 -17.388 7.775 4.747 1.00 3.23 H new ATOM 750 N TYR A 49 -12.699 3.480 5.475 1.00 0.37 N ATOM 751 CA TYR A 49 -13.068 2.181 4.832 1.00 0.42 C ATOM 752 C TYR A 49 -12.723 1.010 5.757 1.00 0.36 C ATOM 753 O TYR A 49 -11.568 0.699 5.967 1.00 0.37 O ATOM 754 CB TYR A 49 -12.295 2.035 3.522 1.00 0.52 C ATOM 755 CG TYR A 49 -12.982 2.863 2.435 1.00 0.60 C ATOM 756 CD1 TYR A 49 -14.073 2.360 1.754 1.00 0.65 C ATOM 757 CD2 TYR A 49 -12.521 4.125 2.120 1.00 0.62 C ATOM 758 CE1 TYR A 49 -14.691 3.109 0.773 1.00 0.71 C ATOM 759 CE2 TYR A 49 -13.141 4.873 1.140 1.00 0.69 C ATOM 760 CZ TYR A 49 -14.230 4.370 0.458 1.00 0.73 C ATOM 761 OH TYR A 49 -14.849 5.118 -0.522 1.00 0.80 O ATOM 0 H TYR A 49 -11.716 3.742 5.401 1.00 0.37 H new ATOM 0 HA TYR A 49 -14.141 2.172 4.638 1.00 0.42 H new ATOM 0 HB2 TYR A 49 -11.266 2.369 3.654 1.00 0.52 H new ATOM 0 HB3 TYR A 49 -12.254 0.987 3.225 1.00 0.52 H new ATOM 0 HD1 TYR A 49 -14.445 1.374 1.991 1.00 0.65 H new ATOM 0 HD2 TYR A 49 -11.668 4.530 2.645 1.00 0.62 H new ATOM 0 HE1 TYR A 49 -15.543 2.704 0.247 1.00 0.71 H new ATOM 0 HE2 TYR A 49 -12.771 5.860 0.905 1.00 0.69 H new ATOM 0 HH TYR A 49 -14.258 5.849 -0.798 1.00 0.80 H new ATOM 771 N SER A 50 -13.736 0.386 6.290 1.00 0.44 N ATOM 772 CA SER A 50 -13.488 -0.771 7.199 1.00 0.39 C ATOM 773 C SER A 50 -13.573 -2.082 6.413 1.00 0.31 C ATOM 774 O SER A 50 -13.210 -3.130 6.908 1.00 0.24 O ATOM 775 CB SER A 50 -14.541 -0.770 8.306 1.00 0.46 C ATOM 776 OG SER A 50 -15.743 -1.131 7.641 1.00 0.60 O ATOM 0 H SER A 50 -14.717 0.623 6.139 1.00 0.44 H new ATOM 0 HA SER A 50 -12.492 -0.683 7.634 1.00 0.39 H new ATOM 0 HB2 SER A 50 -14.292 -1.481 9.094 1.00 0.46 H new ATOM 0 HB3 SER A 50 -14.624 0.210 8.776 1.00 0.46 H new ATOM 0 HG SER A 50 -16.479 -1.156 8.287 1.00 0.60 H new ATOM 782 N ASN A 51 -14.048 -1.989 5.201 1.00 0.36 N ATOM 783 CA ASN A 51 -14.170 -3.218 4.360 1.00 0.35 C ATOM 784 C ASN A 51 -12.988 -3.322 3.391 1.00 0.23 C ATOM 785 O ASN A 51 -13.048 -4.049 2.418 1.00 0.24 O ATOM 786 CB ASN A 51 -15.473 -3.151 3.568 1.00 0.53 C ATOM 787 CG ASN A 51 -15.752 -4.518 2.941 1.00 0.57 C ATOM 788 OD1 ASN A 51 -16.124 -5.458 3.615 1.00 1.38 O ATOM 789 ND2 ASN A 51 -15.585 -4.673 1.655 1.00 1.00 N ATOM 0 H ASN A 51 -14.355 -1.123 4.758 1.00 0.36 H new ATOM 0 HA ASN A 51 -14.169 -4.095 5.007 1.00 0.35 H new ATOM 0 HB2 ASN A 51 -16.296 -2.863 4.222 1.00 0.53 H new ATOM 0 HB3 ASN A 51 -15.402 -2.389 2.792 1.00 0.53 H new ATOM 0 HD21 ASN A 51 -15.767 -5.579 1.223 1.00 1.00 H new ATOM 0 HD22 ASN A 51 -15.273 -3.888 1.083 1.00 1.00 H new ATOM 796 N VAL A 52 -11.943 -2.590 3.678 1.00 0.27 N ATOM 797 CA VAL A 52 -10.739 -2.632 2.790 1.00 0.17 C ATOM 798 C VAL A 52 -9.473 -2.783 3.636 1.00 0.14 C ATOM 799 O VAL A 52 -9.371 -2.213 4.705 1.00 0.08 O ATOM 800 CB VAL A 52 -10.660 -1.333 1.984 1.00 0.23 C ATOM 801 CG1 VAL A 52 -9.455 -1.390 1.036 1.00 0.28 C ATOM 802 CG2 VAL A 52 -11.937 -1.170 1.161 1.00 0.22 C ATOM 0 H VAL A 52 -11.869 -1.968 4.483 1.00 0.27 H new ATOM 0 HA VAL A 52 -10.820 -3.482 2.113 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.550 -0.490 2.666 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -9.399 -0.465 0.462 1.00 0.28 H new ATOM 0 HG12 VAL A 52 -8.541 -1.513 1.617 1.00 0.28 H new ATOM 0 HG13 VAL A 52 -9.568 -2.233 0.355 1.00 0.28 H new ATOM 0 HG21 VAL A 52 -11.884 -0.246 0.586 1.00 0.22 H new ATOM 0 HG22 VAL A 52 -12.042 -2.015 0.481 1.00 0.22 H new ATOM 0 HG23 VAL A 52 -12.798 -1.133 1.829 1.00 0.22 H new ATOM 812 N ILE A 53 -8.535 -3.546 3.141 1.00 0.19 N ATOM 813 CA ILE A 53 -7.273 -3.744 3.909 1.00 0.17 C ATOM 814 C ILE A 53 -6.185 -2.802 3.392 1.00 0.16 C ATOM 815 O ILE A 53 -6.105 -2.526 2.204 1.00 0.16 O ATOM 816 CB ILE A 53 -6.813 -5.192 3.760 1.00 0.15 C ATOM 817 CG1 ILE A 53 -7.609 -6.070 4.731 1.00 0.57 C ATOM 818 CG2 ILE A 53 -5.326 -5.285 4.099 1.00 0.34 C ATOM 819 CD1 ILE A 53 -9.101 -5.939 4.421 1.00 0.99 C ATOM 0 H ILE A 53 -8.587 -4.036 2.248 1.00 0.19 H new ATOM 0 HA ILE A 53 -7.457 -3.523 4.960 1.00 0.17 H new ATOM 0 HB ILE A 53 -6.977 -5.530 2.737 1.00 0.15 H new ATOM 0 HG12 ILE A 53 -7.296 -7.110 4.639 1.00 0.57 H new ATOM 0 HG13 ILE A 53 -7.411 -5.767 5.759 1.00 0.57 H new ATOM 0 HG21 ILE A 53 -4.993 -6.317 3.994 1.00 0.34 H new ATOM 0 HG22 ILE A 53 -4.758 -4.649 3.420 1.00 0.34 H new ATOM 0 HG23 ILE A 53 -5.165 -4.954 5.125 1.00 0.34 H new ATOM 0 HD11 ILE A 53 -9.672 -6.562 5.110 1.00 0.99 H new ATOM 0 HD12 ILE A 53 -9.406 -4.899 4.535 1.00 0.99 H new ATOM 0 HD13 ILE A 53 -9.290 -6.263 3.397 1.00 0.99 H new ATOM 831 N PHE A 54 -5.368 -2.336 4.299 1.00 0.18 N ATOM 832 CA PHE A 54 -4.279 -1.398 3.907 1.00 0.18 C ATOM 833 C PHE A 54 -2.939 -1.860 4.487 1.00 0.19 C ATOM 834 O PHE A 54 -2.886 -2.417 5.564 1.00 0.33 O ATOM 835 CB PHE A 54 -4.615 -0.011 4.453 1.00 0.18 C ATOM 836 CG PHE A 54 -5.921 0.481 3.817 1.00 0.16 C ATOM 837 CD1 PHE A 54 -5.905 1.130 2.594 1.00 0.16 C ATOM 838 CD2 PHE A 54 -7.133 0.285 4.458 1.00 0.14 C ATOM 839 CE1 PHE A 54 -7.081 1.575 2.022 1.00 0.14 C ATOM 840 CE2 PHE A 54 -8.308 0.732 3.882 1.00 0.11 C ATOM 841 CZ PHE A 54 -8.280 1.376 2.666 1.00 0.11 C ATOM 0 H PHE A 54 -5.408 -2.565 5.292 1.00 0.18 H new ATOM 0 HA PHE A 54 -4.196 -1.372 2.820 1.00 0.18 H new ATOM 0 HB2 PHE A 54 -4.717 -0.049 5.538 1.00 0.18 H new ATOM 0 HB3 PHE A 54 -3.805 0.685 4.233 1.00 0.18 H new ATOM 0 HD1 PHE A 54 -4.967 1.289 2.084 1.00 0.16 H new ATOM 0 HD2 PHE A 54 -7.161 -0.219 5.413 1.00 0.14 H new ATOM 0 HE1 PHE A 54 -7.059 2.080 1.068 1.00 0.14 H new ATOM 0 HE2 PHE A 54 -9.250 0.575 4.387 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.199 1.725 2.218 1.00 0.11 H new ATOM 851 N LEU A 55 -1.889 -1.630 3.745 1.00 0.20 N ATOM 852 CA LEU A 55 -0.535 -2.020 4.233 1.00 0.22 C ATOM 853 C LEU A 55 0.455 -0.877 3.973 1.00 0.15 C ATOM 854 O LEU A 55 0.207 -0.011 3.156 1.00 0.05 O ATOM 855 CB LEU A 55 -0.063 -3.283 3.502 1.00 0.28 C ATOM 856 CG LEU A 55 -1.266 -4.202 3.219 1.00 0.28 C ATOM 857 CD1 LEU A 55 -2.052 -3.692 2.011 1.00 0.40 C ATOM 858 CD2 LEU A 55 -0.757 -5.602 2.901 1.00 0.40 C ATOM 0 H LEU A 55 -1.910 -1.190 2.825 1.00 0.20 H new ATOM 0 HA LEU A 55 -0.584 -2.221 5.303 1.00 0.22 H new ATOM 0 HB2 LEU A 55 0.427 -3.011 2.567 1.00 0.28 H new ATOM 0 HB3 LEU A 55 0.675 -3.810 4.107 1.00 0.28 H new ATOM 0 HG LEU A 55 -1.913 -4.214 4.096 1.00 0.28 H new ATOM 0 HD11 LEU A 55 -2.899 -4.352 1.823 1.00 0.40 H new ATOM 0 HD12 LEU A 55 -2.415 -2.684 2.212 1.00 0.40 H new ATOM 0 HD13 LEU A 55 -1.403 -3.676 1.135 1.00 0.40 H new ATOM 0 HD21 LEU A 55 -1.603 -6.259 2.699 1.00 0.40 H new ATOM 0 HD22 LEU A 55 -0.110 -5.564 2.025 1.00 0.40 H new ATOM 0 HD23 LEU A 55 -0.194 -5.986 3.751 1.00 0.40 H new ATOM 870 N GLU A 56 1.551 -0.904 4.676 1.00 0.21 N ATOM 871 CA GLU A 56 2.580 0.166 4.499 1.00 0.15 C ATOM 872 C GLU A 56 3.971 -0.468 4.451 1.00 0.17 C ATOM 873 O GLU A 56 4.464 -0.953 5.449 1.00 0.24 O ATOM 874 CB GLU A 56 2.500 1.132 5.678 1.00 0.18 C ATOM 875 CG GLU A 56 3.622 2.165 5.558 1.00 0.48 C ATOM 876 CD GLU A 56 3.343 3.328 6.512 1.00 0.63 C ATOM 877 OE1 GLU A 56 2.822 3.040 7.576 1.00 1.37 O ATOM 878 OE2 GLU A 56 3.664 4.437 6.121 1.00 1.59 O ATOM 0 H GLU A 56 1.782 -1.619 5.366 1.00 0.21 H new ATOM 0 HA GLU A 56 2.397 0.704 3.569 1.00 0.15 H new ATOM 0 HB2 GLU A 56 1.531 1.630 5.691 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.590 0.587 6.617 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.581 1.706 5.797 1.00 0.48 H new ATOM 0 HG3 GLU A 56 3.689 2.529 4.533 1.00 0.48 H new ATOM 885 N VAL A 57 4.576 -0.451 3.294 1.00 0.12 N ATOM 886 CA VAL A 57 5.933 -1.071 3.174 1.00 0.15 C ATOM 887 C VAL A 57 7.027 -0.010 3.300 1.00 0.14 C ATOM 888 O VAL A 57 6.939 1.056 2.718 1.00 0.09 O ATOM 889 CB VAL A 57 6.059 -1.760 1.816 1.00 0.16 C ATOM 890 CG1 VAL A 57 7.448 -2.390 1.696 1.00 0.27 C ATOM 891 CG2 VAL A 57 5.005 -2.857 1.703 1.00 0.17 C ATOM 0 H VAL A 57 4.200 -0.043 2.438 1.00 0.12 H new ATOM 0 HA VAL A 57 6.053 -1.798 3.977 1.00 0.15 H new ATOM 0 HB VAL A 57 5.914 -1.027 1.022 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.542 -2.883 0.728 1.00 0.27 H new ATOM 0 HG12 VAL A 57 8.208 -1.614 1.783 1.00 0.27 H new ATOM 0 HG13 VAL A 57 7.585 -3.123 2.491 1.00 0.27 H new ATOM 0 HG21 VAL A 57 5.094 -3.349 0.734 1.00 0.17 H new ATOM 0 HG22 VAL A 57 5.155 -3.589 2.497 1.00 0.17 H new ATOM 0 HG23 VAL A 57 4.012 -2.418 1.797 1.00 0.17 H new ATOM 901 N ASP A 58 8.037 -0.328 4.063 1.00 0.19 N ATOM 902 CA ASP A 58 9.160 0.634 4.237 1.00 0.18 C ATOM 903 C ASP A 58 10.291 0.287 3.264 1.00 0.18 C ATOM 904 O ASP A 58 10.883 -0.771 3.351 1.00 0.17 O ATOM 905 CB ASP A 58 9.673 0.543 5.673 1.00 0.18 C ATOM 906 CG ASP A 58 10.695 1.654 5.922 1.00 0.15 C ATOM 907 OD1 ASP A 58 10.599 2.645 5.216 1.00 0.90 O ATOM 908 OD2 ASP A 58 11.513 1.450 6.802 1.00 1.11 O ATOM 0 H ASP A 58 8.132 -1.208 4.571 1.00 0.19 H new ATOM 0 HA ASP A 58 8.812 1.647 4.033 1.00 0.18 H new ATOM 0 HB2 ASP A 58 8.843 0.635 6.373 1.00 0.18 H new ATOM 0 HB3 ASP A 58 10.130 -0.431 5.846 1.00 0.18 H new ATOM 913 N VAL A 59 10.563 1.181 2.355 1.00 0.20 N ATOM 914 CA VAL A 59 11.645 0.910 1.365 1.00 0.20 C ATOM 915 C VAL A 59 13.024 1.113 2.006 1.00 0.21 C ATOM 916 O VAL A 59 13.887 1.749 1.435 1.00 0.59 O ATOM 917 CB VAL A 59 11.490 1.862 0.183 1.00 0.18 C ATOM 918 CG1 VAL A 59 10.143 1.605 -0.496 1.00 0.25 C ATOM 919 CG2 VAL A 59 11.533 3.304 0.689 1.00 0.13 C ATOM 0 H VAL A 59 10.089 2.079 2.254 1.00 0.20 H new ATOM 0 HA VAL A 59 11.566 -0.123 1.027 1.00 0.20 H new ATOM 0 HB VAL A 59 12.298 1.699 -0.530 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.027 2.283 -1.342 1.00 0.25 H new ATOM 0 HG12 VAL A 59 10.104 0.574 -0.849 1.00 0.25 H new ATOM 0 HG13 VAL A 59 9.337 1.775 0.218 1.00 0.25 H new ATOM 0 HG21 VAL A 59 11.423 3.988 -0.152 1.00 0.13 H new ATOM 0 HG22 VAL A 59 10.720 3.465 1.397 1.00 0.13 H new ATOM 0 HG23 VAL A 59 12.487 3.488 1.183 1.00 0.13 H new ATOM 929 N ASP A 60 13.196 0.570 3.180 1.00 0.31 N ATOM 930 CA ASP A 60 14.510 0.711 3.876 1.00 0.28 C ATOM 931 C ASP A 60 14.880 -0.609 4.556 1.00 0.28 C ATOM 932 O ASP A 60 16.000 -1.069 4.456 1.00 0.34 O ATOM 933 CB ASP A 60 14.405 1.817 4.926 1.00 0.20 C ATOM 934 CG ASP A 60 15.805 2.348 5.242 1.00 0.32 C ATOM 935 OD1 ASP A 60 16.624 1.525 5.620 1.00 0.82 O ATOM 936 OD2 ASP A 60 15.976 3.545 5.087 1.00 0.97 O ATOM 0 H ASP A 60 12.489 0.037 3.687 1.00 0.31 H new ATOM 0 HA ASP A 60 15.282 0.966 3.150 1.00 0.28 H new ATOM 0 HB2 ASP A 60 13.772 2.624 4.558 1.00 0.20 H new ATOM 0 HB3 ASP A 60 13.937 1.431 5.832 1.00 0.20 H new ATOM 941 N ASP A 61 13.923 -1.189 5.230 1.00 0.24 N ATOM 942 CA ASP A 61 14.185 -2.485 5.923 1.00 0.28 C ATOM 943 C ASP A 61 13.577 -3.639 5.118 1.00 0.31 C ATOM 944 O ASP A 61 13.849 -4.793 5.382 1.00 0.39 O ATOM 945 CB ASP A 61 13.550 -2.443 7.314 1.00 0.25 C ATOM 946 CG ASP A 61 13.057 -3.841 7.690 1.00 0.75 C ATOM 947 OD1 ASP A 61 13.916 -4.658 7.983 1.00 0.59 O ATOM 948 OD2 ASP A 61 11.850 -4.016 7.663 1.00 1.74 O ATOM 0 H ASP A 61 12.976 -0.824 5.331 1.00 0.24 H new ATOM 0 HA ASP A 61 15.260 -2.640 6.010 1.00 0.28 H new ATOM 0 HB2 ASP A 61 14.277 -2.092 8.047 1.00 0.25 H new ATOM 0 HB3 ASP A 61 12.719 -1.737 7.325 1.00 0.25 H new ATOM 953 N CYS A 62 12.769 -3.291 4.146 1.00 0.26 N ATOM 954 CA CYS A 62 12.120 -4.341 3.299 1.00 0.28 C ATOM 955 C CYS A 62 12.436 -4.092 1.823 1.00 0.25 C ATOM 956 O CYS A 62 11.624 -4.352 0.957 1.00 0.31 O ATOM 957 CB CYS A 62 10.609 -4.288 3.514 1.00 0.33 C ATOM 958 SG CYS A 62 10.014 -3.574 5.068 1.00 0.13 S ATOM 0 H CYS A 62 12.531 -2.329 3.903 1.00 0.26 H new ATOM 0 HA CYS A 62 12.501 -5.322 3.581 1.00 0.28 H new ATOM 0 HB2 CYS A 62 10.172 -3.720 2.693 1.00 0.33 H new ATOM 0 HB3 CYS A 62 10.222 -5.304 3.440 1.00 0.33 H new ATOM 0 HG CYS A 62 10.860 -3.838 6.019 1.00 0.13 H new ATOM 964 N GLN A 63 13.614 -3.590 1.568 1.00 0.18 N ATOM 965 CA GLN A 63 14.002 -3.316 0.160 1.00 0.16 C ATOM 966 C GLN A 63 13.804 -4.571 -0.693 1.00 0.16 C ATOM 967 O GLN A 63 13.750 -4.501 -1.904 1.00 0.14 O ATOM 968 CB GLN A 63 15.470 -2.894 0.117 1.00 0.16 C ATOM 969 CG GLN A 63 15.561 -1.378 0.298 1.00 1.04 C ATOM 970 CD GLN A 63 17.031 -0.958 0.306 1.00 1.25 C ATOM 971 OE1 GLN A 63 17.903 -1.699 -0.101 1.00 0.88 O ATOM 972 NE2 GLN A 63 17.351 0.224 0.762 1.00 2.28 N ATOM 0 H GLN A 63 14.318 -3.360 2.270 1.00 0.18 H new ATOM 0 HA GLN A 63 13.376 -2.517 -0.237 1.00 0.16 H new ATOM 0 HB2 GLN A 63 16.030 -3.401 0.903 1.00 0.16 H new ATOM 0 HB3 GLN A 63 15.918 -3.187 -0.833 1.00 0.16 H new ATOM 0 HG2 GLN A 63 15.030 -0.871 -0.508 1.00 1.04 H new ATOM 0 HG3 GLN A 63 15.081 -1.082 1.231 1.00 1.04 H new ATOM 0 HE21 GLN A 63 16.624 0.852 1.106 1.00 2.28 H new ATOM 0 HE22 GLN A 63 18.327 0.519 0.774 1.00 2.28 H new ATOM 981 N ASP A 64 13.699 -5.691 -0.037 1.00 0.20 N ATOM 982 CA ASP A 64 13.499 -6.960 -0.783 1.00 0.22 C ATOM 983 C ASP A 64 12.143 -6.945 -1.477 1.00 0.22 C ATOM 984 O ASP A 64 12.023 -7.289 -2.637 1.00 0.23 O ATOM 985 CB ASP A 64 13.560 -8.132 0.196 1.00 0.21 C ATOM 986 CG ASP A 64 12.947 -7.707 1.532 1.00 0.37 C ATOM 987 OD1 ASP A 64 13.652 -7.029 2.260 1.00 1.15 O ATOM 988 OD2 ASP A 64 11.807 -8.086 1.749 1.00 0.49 O ATOM 0 H ASP A 64 13.743 -5.782 0.978 1.00 0.20 H new ATOM 0 HA ASP A 64 14.281 -7.066 -1.534 1.00 0.22 H new ATOM 0 HB2 ASP A 64 13.020 -8.988 -0.209 1.00 0.21 H new ATOM 0 HB3 ASP A 64 14.594 -8.447 0.341 1.00 0.21 H new ATOM 993 N VAL A 65 11.153 -6.542 -0.747 1.00 0.21 N ATOM 994 CA VAL A 65 9.788 -6.480 -1.322 1.00 0.20 C ATOM 995 C VAL A 65 9.704 -5.361 -2.353 1.00 0.21 C ATOM 996 O VAL A 65 9.110 -5.514 -3.399 1.00 0.23 O ATOM 997 CB VAL A 65 8.797 -6.220 -0.205 1.00 0.19 C ATOM 998 CG1 VAL A 65 7.383 -6.538 -0.698 1.00 0.22 C ATOM 999 CG2 VAL A 65 9.134 -7.120 0.984 1.00 0.20 C ATOM 0 H VAL A 65 11.228 -6.251 0.228 1.00 0.21 H new ATOM 0 HA VAL A 65 9.556 -7.425 -1.812 1.00 0.20 H new ATOM 0 HB VAL A 65 8.850 -5.175 0.099 1.00 0.19 H new ATOM 0 HG11 VAL A 65 6.668 -6.352 0.103 1.00 0.22 H new ATOM 0 HG12 VAL A 65 7.144 -5.904 -1.552 1.00 0.22 H new ATOM 0 HG13 VAL A 65 7.329 -7.585 -0.997 1.00 0.22 H new ATOM 0 HG21 VAL A 65 8.424 -6.938 1.791 1.00 0.20 H new ATOM 0 HG22 VAL A 65 9.075 -8.164 0.678 1.00 0.20 H new ATOM 0 HG23 VAL A 65 10.143 -6.901 1.332 1.00 0.20 H new ATOM 1009 N ALA A 66 10.300 -4.256 -2.031 1.00 0.20 N ATOM 1010 CA ALA A 66 10.278 -3.115 -2.979 1.00 0.21 C ATOM 1011 C ALA A 66 10.937 -3.531 -4.290 1.00 0.21 C ATOM 1012 O ALA A 66 10.401 -3.321 -5.359 1.00 0.20 O ATOM 1013 CB ALA A 66 11.042 -1.939 -2.371 1.00 0.23 C ATOM 0 H ALA A 66 10.800 -4.092 -1.157 1.00 0.20 H new ATOM 0 HA ALA A 66 9.247 -2.818 -3.172 1.00 0.21 H new ATOM 0 HB1 ALA A 66 11.028 -1.098 -3.065 1.00 0.23 H new ATOM 0 HB2 ALA A 66 10.570 -1.644 -1.434 1.00 0.23 H new ATOM 0 HB3 ALA A 66 12.074 -2.235 -2.180 1.00 0.23 H new ATOM 1019 N SER A 67 12.084 -4.122 -4.171 1.00 0.22 N ATOM 1020 CA SER A 67 12.808 -4.576 -5.387 1.00 0.22 C ATOM 1021 C SER A 67 11.988 -5.642 -6.114 1.00 0.23 C ATOM 1022 O SER A 67 12.286 -6.008 -7.234 1.00 0.27 O ATOM 1023 CB SER A 67 14.161 -5.159 -4.980 1.00 0.23 C ATOM 1024 OG SER A 67 14.718 -5.627 -6.199 1.00 0.89 O ATOM 0 H SER A 67 12.555 -4.312 -3.286 1.00 0.22 H new ATOM 0 HA SER A 67 12.960 -3.728 -6.055 1.00 0.22 H new ATOM 0 HB2 SER A 67 14.796 -4.405 -4.515 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.046 -5.968 -4.258 1.00 0.23 H new ATOM 0 HG SER A 67 14.013 -5.694 -6.876 1.00 0.89 H new ATOM 1030 N GLU A 68 10.968 -6.117 -5.456 1.00 0.20 N ATOM 1031 CA GLU A 68 10.109 -7.151 -6.080 1.00 0.20 C ATOM 1032 C GLU A 68 9.123 -6.483 -7.032 1.00 0.19 C ATOM 1033 O GLU A 68 8.744 -7.041 -8.042 1.00 0.18 O ATOM 1034 CB GLU A 68 9.348 -7.900 -4.984 1.00 0.19 C ATOM 1035 CG GLU A 68 8.948 -9.281 -5.500 1.00 0.28 C ATOM 1036 CD GLU A 68 8.234 -10.051 -4.386 1.00 1.29 C ATOM 1037 OE1 GLU A 68 7.432 -9.417 -3.721 1.00 1.90 O ATOM 1038 OE2 GLU A 68 8.532 -11.227 -4.265 1.00 2.05 O ATOM 0 H GLU A 68 10.695 -5.832 -4.515 1.00 0.20 H new ATOM 0 HA GLU A 68 10.724 -7.856 -6.639 1.00 0.20 H new ATOM 0 HB2 GLU A 68 9.971 -7.998 -4.095 1.00 0.19 H new ATOM 0 HB3 GLU A 68 8.461 -7.338 -4.692 1.00 0.19 H new ATOM 0 HG2 GLU A 68 8.294 -9.183 -6.366 1.00 0.28 H new ATOM 0 HG3 GLU A 68 9.831 -9.829 -5.828 1.00 0.28 H new ATOM 1045 N CYS A 69 8.733 -5.297 -6.678 1.00 0.21 N ATOM 1046 CA CYS A 69 7.781 -4.543 -7.541 1.00 0.20 C ATOM 1047 C CYS A 69 8.565 -3.637 -8.493 1.00 0.24 C ATOM 1048 O CYS A 69 7.995 -2.932 -9.302 1.00 0.25 O ATOM 1049 CB CYS A 69 6.869 -3.698 -6.653 1.00 0.18 C ATOM 1050 SG CYS A 69 5.557 -4.558 -5.753 1.00 0.16 S ATOM 0 H CYS A 69 9.029 -4.814 -5.830 1.00 0.21 H new ATOM 0 HA CYS A 69 7.178 -5.238 -8.126 1.00 0.20 H new ATOM 0 HB2 CYS A 69 7.493 -3.180 -5.925 1.00 0.18 H new ATOM 0 HB3 CYS A 69 6.405 -2.934 -7.277 1.00 0.18 H new ATOM 0 HG CYS A 69 4.423 -4.377 -6.362 1.00 0.16 H new ATOM 1056 N GLU A 70 9.866 -3.678 -8.365 1.00 0.26 N ATOM 1057 CA GLU A 70 10.731 -2.840 -9.248 1.00 0.31 C ATOM 1058 C GLU A 70 10.352 -1.360 -9.143 1.00 0.30 C ATOM 1059 O GLU A 70 10.190 -0.690 -10.143 1.00 0.29 O ATOM 1060 CB GLU A 70 10.574 -3.305 -10.697 1.00 0.34 C ATOM 1061 CG GLU A 70 11.574 -2.553 -11.580 1.00 1.49 C ATOM 1062 CD GLU A 70 12.539 -3.553 -12.219 1.00 1.61 C ATOM 1063 OE1 GLU A 70 13.360 -4.063 -11.475 1.00 2.48 O ATOM 1064 OE2 GLU A 70 12.401 -3.751 -13.415 1.00 1.53 O ATOM 0 H GLU A 70 10.366 -4.255 -7.688 1.00 0.26 H new ATOM 0 HA GLU A 70 11.767 -2.953 -8.928 1.00 0.31 H new ATOM 0 HB2 GLU A 70 10.745 -4.379 -10.767 1.00 0.34 H new ATOM 0 HB3 GLU A 70 9.556 -3.121 -11.042 1.00 0.34 H new ATOM 0 HG2 GLU A 70 11.046 -1.995 -12.353 1.00 1.49 H new ATOM 0 HG3 GLU A 70 12.127 -1.826 -10.985 1.00 1.49 H new ATOM 1071 N VAL A 71 10.215 -0.877 -7.938 1.00 0.30 N ATOM 1072 CA VAL A 71 9.864 0.566 -7.778 1.00 0.29 C ATOM 1073 C VAL A 71 11.113 1.429 -7.968 1.00 0.28 C ATOM 1074 O VAL A 71 12.219 0.989 -7.724 1.00 0.36 O ATOM 1075 CB VAL A 71 9.296 0.810 -6.382 1.00 0.34 C ATOM 1076 CG1 VAL A 71 8.114 1.773 -6.484 1.00 0.32 C ATOM 1077 CG2 VAL A 71 8.815 -0.513 -5.789 1.00 0.44 C ATOM 0 H VAL A 71 10.328 -1.405 -7.073 1.00 0.30 H new ATOM 0 HA VAL A 71 9.119 0.832 -8.528 1.00 0.29 H new ATOM 0 HB VAL A 71 10.069 1.237 -5.743 1.00 0.34 H new ATOM 0 HG11 VAL A 71 7.703 1.952 -5.490 1.00 0.32 H new ATOM 0 HG12 VAL A 71 8.450 2.717 -6.913 1.00 0.32 H new ATOM 0 HG13 VAL A 71 7.344 1.338 -7.122 1.00 0.32 H new ATOM 0 HG21 VAL A 71 8.409 -0.339 -4.792 1.00 0.44 H new ATOM 0 HG22 VAL A 71 8.040 -0.937 -6.427 1.00 0.44 H new ATOM 0 HG23 VAL A 71 9.652 -1.208 -5.724 1.00 0.44 H new ATOM 1087 N LYS A 72 10.908 2.640 -8.399 1.00 0.19 N ATOM 1088 CA LYS A 72 12.069 3.550 -8.608 1.00 0.19 C ATOM 1089 C LYS A 72 11.671 4.982 -8.248 1.00 0.17 C ATOM 1090 O LYS A 72 12.282 5.933 -8.695 1.00 0.26 O ATOM 1091 CB LYS A 72 12.497 3.489 -10.074 1.00 0.16 C ATOM 1092 CG LYS A 72 14.025 3.487 -10.151 1.00 0.57 C ATOM 1093 CD LYS A 72 14.454 3.589 -11.616 1.00 0.71 C ATOM 1094 CE LYS A 72 15.958 3.864 -11.681 1.00 1.24 C ATOM 1095 NZ LYS A 72 16.434 3.822 -13.092 1.00 1.69 N ATOM 0 H LYS A 72 9.994 3.039 -8.615 1.00 0.19 H new ATOM 0 HA LYS A 72 12.897 3.238 -7.972 1.00 0.19 H new ATOM 0 HB2 LYS A 72 12.096 2.592 -10.546 1.00 0.16 H new ATOM 0 HB3 LYS A 72 12.094 4.343 -10.619 1.00 0.16 H new ATOM 0 HG2 LYS A 72 14.431 4.323 -9.581 1.00 0.57 H new ATOM 0 HG3 LYS A 72 14.422 2.575 -9.706 1.00 0.57 H new ATOM 0 HD2 LYS A 72 14.218 2.664 -12.142 1.00 0.71 H new ATOM 0 HD3 LYS A 72 13.904 4.388 -12.114 1.00 0.71 H new ATOM 0 HE2 LYS A 72 16.175 4.840 -11.247 1.00 1.24 H new ATOM 0 HE3 LYS A 72 16.495 3.124 -11.087 1.00 1.24 H new ATOM 0 HZ1 LYS A 72 17.456 4.011 -13.119 1.00 1.69 H new ATOM 0 HZ2 LYS A 72 16.244 2.882 -13.494 1.00 1.69 H new ATOM 0 HZ3 LYS A 72 15.934 4.544 -13.649 1.00 1.69 H new ATOM 1109 N CYS A 73 10.650 5.103 -7.444 1.00 0.15 N ATOM 1110 CA CYS A 73 10.191 6.462 -7.041 1.00 0.20 C ATOM 1111 C CYS A 73 9.067 6.356 -6.007 1.00 0.18 C ATOM 1112 O CYS A 73 8.035 5.769 -6.264 1.00 0.28 O ATOM 1113 CB CYS A 73 9.681 7.204 -8.275 1.00 0.21 C ATOM 1114 SG CYS A 73 8.837 6.227 -9.543 1.00 0.20 S ATOM 0 H CYS A 73 10.118 4.326 -7.052 1.00 0.15 H new ATOM 0 HA CYS A 73 11.025 7.006 -6.599 1.00 0.20 H new ATOM 0 HB2 CYS A 73 8.998 7.984 -7.940 1.00 0.21 H new ATOM 0 HB3 CYS A 73 10.530 7.703 -8.743 1.00 0.21 H new ATOM 0 HG CYS A 73 8.468 7.006 -10.516 1.00 0.20 H new ATOM 1120 N THR A 74 9.300 6.932 -4.859 1.00 0.06 N ATOM 1121 CA THR A 74 8.271 6.883 -3.779 1.00 0.03 C ATOM 1122 C THR A 74 7.564 8.257 -3.674 1.00 0.08 C ATOM 1123 O THR A 74 8.141 9.268 -4.022 1.00 0.11 O ATOM 1124 CB THR A 74 8.987 6.567 -2.458 1.00 0.04 C ATOM 1125 OG1 THR A 74 10.102 7.454 -2.434 1.00 0.20 O ATOM 1126 CG2 THR A 74 9.595 5.166 -2.473 1.00 0.20 C ATOM 0 H THR A 74 10.156 7.433 -4.622 1.00 0.06 H new ATOM 0 HA THR A 74 7.524 6.120 -3.998 1.00 0.03 H new ATOM 0 HB THR A 74 8.290 6.654 -1.625 1.00 0.04 H new ATOM 0 HG1 THR A 74 10.614 7.313 -1.611 1.00 0.20 H new ATOM 0 HG21 THR A 74 10.094 4.976 -1.523 1.00 0.20 H new ATOM 0 HG22 THR A 74 8.806 4.429 -2.623 1.00 0.20 H new ATOM 0 HG23 THR A 74 10.319 5.092 -3.284 1.00 0.20 H new ATOM 1134 N PRO A 75 6.321 8.275 -3.196 1.00 0.10 N ATOM 1135 CA PRO A 75 5.562 7.073 -2.779 1.00 0.09 C ATOM 1136 C PRO A 75 4.985 6.335 -3.999 1.00 0.09 C ATOM 1137 O PRO A 75 4.802 6.922 -5.054 1.00 0.12 O ATOM 1138 CB PRO A 75 4.409 7.619 -1.931 1.00 0.14 C ATOM 1139 CG PRO A 75 4.381 9.166 -2.134 1.00 0.17 C ATOM 1140 CD PRO A 75 5.608 9.539 -2.989 1.00 0.15 C ATOM 0 HA PRO A 75 6.195 6.366 -2.243 1.00 0.09 H new ATOM 0 HB2 PRO A 75 3.462 7.174 -2.236 1.00 0.14 H new ATOM 0 HB3 PRO A 75 4.554 7.371 -0.879 1.00 0.14 H new ATOM 0 HG2 PRO A 75 3.460 9.472 -2.630 1.00 0.17 H new ATOM 0 HG3 PRO A 75 4.412 9.680 -1.173 1.00 0.17 H new ATOM 0 HD2 PRO A 75 5.308 9.984 -3.938 1.00 0.15 H new ATOM 0 HD3 PRO A 75 6.237 10.269 -2.480 1.00 0.15 H new ATOM 1148 N THR A 76 4.708 5.064 -3.824 1.00 0.13 N ATOM 1149 CA THR A 76 4.123 4.274 -4.947 1.00 0.13 C ATOM 1150 C THR A 76 2.945 3.445 -4.426 1.00 0.13 C ATOM 1151 O THR A 76 3.108 2.601 -3.569 1.00 0.15 O ATOM 1152 CB THR A 76 5.195 3.354 -5.540 1.00 0.14 C ATOM 1153 OG1 THR A 76 6.007 4.214 -6.335 1.00 0.13 O ATOM 1154 CG2 THR A 76 4.594 2.351 -6.522 1.00 0.15 C ATOM 0 H THR A 76 4.861 4.546 -2.959 1.00 0.13 H new ATOM 0 HA THR A 76 3.767 4.949 -5.725 1.00 0.13 H new ATOM 0 HB THR A 76 5.708 2.818 -4.742 1.00 0.14 H new ATOM 0 HG1 THR A 76 6.732 4.579 -5.786 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.384 1.716 -6.922 1.00 0.15 H new ATOM 0 HG22 THR A 76 3.858 1.734 -6.007 1.00 0.15 H new ATOM 0 HG23 THR A 76 4.110 2.887 -7.339 1.00 0.15 H new ATOM 1162 N PHE A 77 1.781 3.704 -4.959 1.00 0.15 N ATOM 1163 CA PHE A 77 0.578 2.956 -4.488 1.00 0.17 C ATOM 1164 C PHE A 77 0.320 1.733 -5.365 1.00 0.19 C ATOM 1165 O PHE A 77 0.325 1.824 -6.577 1.00 0.21 O ATOM 1166 CB PHE A 77 -0.634 3.877 -4.551 1.00 0.15 C ATOM 1167 CG PHE A 77 -0.574 4.865 -3.393 1.00 0.15 C ATOM 1168 CD1 PHE A 77 -0.705 4.421 -2.092 1.00 0.14 C ATOM 1169 CD2 PHE A 77 -0.389 6.218 -3.629 1.00 0.19 C ATOM 1170 CE1 PHE A 77 -0.654 5.315 -1.041 1.00 0.15 C ATOM 1171 CE2 PHE A 77 -0.337 7.108 -2.577 1.00 0.21 C ATOM 1172 CZ PHE A 77 -0.469 6.656 -1.284 1.00 0.17 C ATOM 0 H PHE A 77 1.611 4.393 -5.692 1.00 0.15 H new ATOM 0 HA PHE A 77 0.752 2.621 -3.465 1.00 0.17 H new ATOM 0 HB2 PHE A 77 -0.650 4.412 -5.501 1.00 0.15 H new ATOM 0 HB3 PHE A 77 -1.553 3.293 -4.499 1.00 0.15 H new ATOM 0 HD1 PHE A 77 -0.848 3.369 -1.896 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -0.285 6.577 -4.642 1.00 0.19 H new ATOM 0 HE1 PHE A 77 -0.760 4.961 -0.026 1.00 0.15 H new ATOM 0 HE2 PHE A 77 -0.192 8.161 -2.768 1.00 0.21 H new ATOM 0 HZ PHE A 77 -0.427 7.354 -0.461 1.00 0.17 H new ATOM 1182 N GLN A 78 0.100 0.613 -4.725 1.00 0.18 N ATOM 1183 CA GLN A 78 -0.181 -0.644 -5.496 1.00 0.21 C ATOM 1184 C GLN A 78 -1.544 -1.227 -5.099 1.00 0.21 C ATOM 1185 O GLN A 78 -2.024 -1.006 -4.005 1.00 0.27 O ATOM 1186 CB GLN A 78 0.910 -1.659 -5.200 1.00 0.28 C ATOM 1187 CG GLN A 78 1.965 -1.603 -6.307 1.00 0.22 C ATOM 1188 CD GLN A 78 3.182 -2.426 -5.884 1.00 0.99 C ATOM 1189 OE1 GLN A 78 3.065 -3.569 -5.496 1.00 1.87 O ATOM 1190 NE2 GLN A 78 4.367 -1.885 -5.943 1.00 0.83 N ATOM 0 H GLN A 78 0.102 0.511 -3.710 1.00 0.18 H new ATOM 0 HA GLN A 78 -0.200 -0.412 -6.561 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.368 -1.447 -4.234 1.00 0.28 H new ATOM 0 HB3 GLN A 78 0.484 -2.660 -5.138 1.00 0.28 H new ATOM 0 HG2 GLN A 78 1.553 -1.993 -7.238 1.00 0.22 H new ATOM 0 HG3 GLN A 78 2.257 -0.570 -6.495 1.00 0.22 H new ATOM 0 HE21 GLN A 78 4.473 -0.924 -6.268 1.00 0.83 H new ATOM 0 HE22 GLN A 78 5.188 -2.423 -5.664 1.00 0.83 H new ATOM 1199 N PHE A 79 -2.134 -1.961 -6.013 1.00 0.19 N ATOM 1200 CA PHE A 79 -3.474 -2.577 -5.739 1.00 0.19 C ATOM 1201 C PHE A 79 -3.391 -4.105 -5.873 1.00 0.23 C ATOM 1202 O PHE A 79 -3.150 -4.618 -6.949 1.00 0.33 O ATOM 1203 CB PHE A 79 -4.479 -2.041 -6.764 1.00 0.15 C ATOM 1204 CG PHE A 79 -4.851 -0.594 -6.421 1.00 0.14 C ATOM 1205 CD1 PHE A 79 -3.904 0.415 -6.499 1.00 0.13 C ATOM 1206 CD2 PHE A 79 -6.142 -0.272 -6.031 1.00 0.16 C ATOM 1207 CE1 PHE A 79 -4.242 1.718 -6.192 1.00 0.13 C ATOM 1208 CE2 PHE A 79 -6.477 1.033 -5.724 1.00 0.16 C ATOM 1209 CZ PHE A 79 -5.529 2.026 -5.805 1.00 0.14 C ATOM 0 H PHE A 79 -1.747 -2.160 -6.935 1.00 0.19 H new ATOM 0 HA PHE A 79 -3.788 -2.324 -4.726 1.00 0.19 H new ATOM 0 HB2 PHE A 79 -4.051 -2.088 -7.765 1.00 0.15 H new ATOM 0 HB3 PHE A 79 -5.373 -2.664 -6.770 1.00 0.15 H new ATOM 0 HD1 PHE A 79 -2.894 0.180 -6.802 1.00 0.13 H new ATOM 0 HD2 PHE A 79 -6.891 -1.047 -5.967 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.497 2.497 -6.255 1.00 0.13 H new ATOM 0 HE2 PHE A 79 -7.485 1.274 -5.420 1.00 0.16 H new ATOM 0 HZ PHE A 79 -5.792 3.046 -5.566 1.00 0.14 H new ATOM 1219 N PHE A 80 -3.596 -4.799 -4.776 1.00 0.21 N ATOM 1220 CA PHE A 80 -3.539 -6.298 -4.822 1.00 0.24 C ATOM 1221 C PHE A 80 -4.933 -6.884 -4.559 1.00 0.22 C ATOM 1222 O PHE A 80 -5.711 -6.328 -3.812 1.00 0.23 O ATOM 1223 CB PHE A 80 -2.562 -6.796 -3.756 1.00 0.31 C ATOM 1224 CG PHE A 80 -1.126 -6.619 -4.256 1.00 0.30 C ATOM 1225 CD1 PHE A 80 -0.540 -7.572 -5.074 1.00 0.54 C ATOM 1226 CD2 PHE A 80 -0.394 -5.503 -3.895 1.00 0.11 C ATOM 1227 CE1 PHE A 80 0.756 -7.405 -5.522 1.00 0.63 C ATOM 1228 CE2 PHE A 80 0.899 -5.340 -4.343 1.00 0.24 C ATOM 1229 CZ PHE A 80 1.474 -6.290 -5.156 1.00 0.49 C ATOM 0 H PHE A 80 -3.798 -4.398 -3.860 1.00 0.21 H new ATOM 0 HA PHE A 80 -3.202 -6.618 -5.808 1.00 0.24 H new ATOM 0 HB2 PHE A 80 -2.706 -6.242 -2.828 1.00 0.31 H new ATOM 0 HB3 PHE A 80 -2.754 -7.846 -3.534 1.00 0.31 H new ATOM 0 HD1 PHE A 80 -1.099 -8.450 -5.363 1.00 0.54 H new ATOM 0 HD2 PHE A 80 -0.839 -4.753 -3.257 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.206 -8.151 -6.160 1.00 0.63 H new ATOM 0 HE2 PHE A 80 1.462 -4.465 -4.055 1.00 0.24 H new ATOM 0 HZ PHE A 80 2.487 -6.160 -5.506 1.00 0.49 H new ATOM 1239 N LYS A 81 -5.221 -7.991 -5.192 1.00 0.24 N ATOM 1240 CA LYS A 81 -6.558 -8.626 -4.987 1.00 0.23 C ATOM 1241 C LYS A 81 -6.425 -10.152 -4.995 1.00 0.25 C ATOM 1242 O LYS A 81 -5.738 -10.712 -5.825 1.00 0.28 O ATOM 1243 CB LYS A 81 -7.499 -8.193 -6.108 1.00 0.22 C ATOM 1244 CG LYS A 81 -8.943 -8.215 -5.584 1.00 0.57 C ATOM 1245 CD LYS A 81 -9.933 -8.095 -6.759 1.00 0.26 C ATOM 1246 CE LYS A 81 -9.989 -6.641 -7.256 1.00 1.82 C ATOM 1247 NZ LYS A 81 -9.779 -6.590 -8.729 1.00 2.97 N ATOM 0 H LYS A 81 -4.597 -8.479 -5.835 1.00 0.24 H new ATOM 0 HA LYS A 81 -6.959 -8.310 -4.024 1.00 0.23 H new ATOM 0 HB2 LYS A 81 -7.239 -7.192 -6.453 1.00 0.22 H new ATOM 0 HB3 LYS A 81 -7.398 -8.861 -6.963 1.00 0.22 H new ATOM 0 HG2 LYS A 81 -9.126 -9.140 -5.037 1.00 0.57 H new ATOM 0 HG3 LYS A 81 -9.097 -7.394 -4.883 1.00 0.57 H new ATOM 0 HD2 LYS A 81 -9.627 -8.754 -7.572 1.00 0.26 H new ATOM 0 HD3 LYS A 81 -10.925 -8.418 -6.443 1.00 0.26 H new ATOM 0 HE2 LYS A 81 -10.953 -6.200 -7.004 1.00 1.82 H new ATOM 0 HE3 LYS A 81 -9.226 -6.048 -6.752 1.00 1.82 H new ATOM 0 HZ1 LYS A 81 -9.819 -5.602 -9.051 1.00 2.97 H new ATOM 0 HZ2 LYS A 81 -8.848 -6.992 -8.961 1.00 2.97 H new ATOM 0 HZ3 LYS A 81 -10.522 -7.140 -9.205 1.00 2.97 H new ATOM 1261 N LYS A 82 -7.091 -10.791 -4.070 1.00 0.36 N ATOM 1262 CA LYS A 82 -7.009 -12.278 -4.008 1.00 0.41 C ATOM 1263 C LYS A 82 -5.548 -12.724 -4.112 1.00 0.43 C ATOM 1264 O LYS A 82 -5.263 -13.869 -4.406 1.00 0.46 O ATOM 1265 CB LYS A 82 -7.808 -12.875 -5.164 1.00 0.42 C ATOM 1266 CG LYS A 82 -9.284 -12.508 -4.999 1.00 1.44 C ATOM 1267 CD LYS A 82 -9.807 -11.941 -6.318 1.00 2.47 C ATOM 1268 CE LYS A 82 -11.325 -11.774 -6.229 1.00 3.27 C ATOM 1269 NZ LYS A 82 -12.004 -13.092 -6.376 1.00 2.87 N ATOM 0 H LYS A 82 -7.681 -10.353 -3.363 1.00 0.36 H new ATOM 0 HA LYS A 82 -7.420 -12.623 -3.059 1.00 0.41 H new ATOM 0 HB2 LYS A 82 -7.431 -12.498 -6.115 1.00 0.42 H new ATOM 0 HB3 LYS A 82 -7.690 -13.958 -5.182 1.00 0.42 H new ATOM 0 HG2 LYS A 82 -9.861 -13.387 -4.712 1.00 1.44 H new ATOM 0 HG3 LYS A 82 -9.403 -11.775 -4.201 1.00 1.44 H new ATOM 0 HD2 LYS A 82 -9.335 -10.981 -6.527 1.00 2.47 H new ATOM 0 HD3 LYS A 82 -9.550 -12.608 -7.141 1.00 2.47 H new ATOM 0 HE2 LYS A 82 -11.592 -11.325 -5.272 1.00 3.27 H new ATOM 0 HE3 LYS A 82 -11.668 -11.093 -7.007 1.00 3.27 H new ATOM 0 HZ1 LYS A 82 -13.026 -12.944 -6.500 1.00 2.87 H new ATOM 0 HZ2 LYS A 82 -11.622 -13.588 -7.206 1.00 2.87 H new ATOM 0 HZ3 LYS A 82 -11.838 -13.665 -5.524 1.00 2.87 H new ATOM 1283 N GLY A 83 -4.652 -11.805 -3.869 1.00 0.50 N ATOM 1284 CA GLY A 83 -3.205 -12.148 -3.951 1.00 0.54 C ATOM 1285 C GLY A 83 -2.693 -11.958 -5.382 1.00 0.54 C ATOM 1286 O GLY A 83 -1.826 -12.680 -5.835 1.00 0.78 O ATOM 0 H GLY A 83 -4.859 -10.838 -3.619 1.00 0.50 H new ATOM 0 HA2 GLY A 83 -2.636 -11.518 -3.267 1.00 0.54 H new ATOM 0 HA3 GLY A 83 -3.051 -13.180 -3.637 1.00 0.54 H new ATOM 1290 N GLN A 84 -3.241 -10.988 -6.065 1.00 0.45 N ATOM 1291 CA GLN A 84 -2.798 -10.740 -7.467 1.00 0.43 C ATOM 1292 C GLN A 84 -2.839 -9.238 -7.781 1.00 0.35 C ATOM 1293 O GLN A 84 -3.841 -8.582 -7.572 1.00 0.25 O ATOM 1294 CB GLN A 84 -3.723 -11.492 -8.421 1.00 0.45 C ATOM 1295 CG GLN A 84 -3.602 -10.889 -9.819 1.00 1.36 C ATOM 1296 CD GLN A 84 -4.072 -11.913 -10.853 1.00 1.23 C ATOM 1297 OE1 GLN A 84 -3.365 -12.241 -11.785 1.00 1.86 O ATOM 1298 NE2 GLN A 84 -5.259 -12.438 -10.727 1.00 1.18 N ATOM 0 H GLN A 84 -3.968 -10.363 -5.717 1.00 0.45 H new ATOM 0 HA GLN A 84 -1.774 -11.092 -7.589 1.00 0.43 H new ATOM 0 HB2 GLN A 84 -3.459 -12.549 -8.444 1.00 0.45 H new ATOM 0 HB3 GLN A 84 -4.754 -11.428 -8.073 1.00 0.45 H new ATOM 0 HG2 GLN A 84 -4.202 -9.982 -9.890 1.00 1.36 H new ATOM 0 HG3 GLN A 84 -2.569 -10.604 -10.016 1.00 1.36 H new ATOM 0 HE21 GLN A 84 -5.857 -12.166 -9.946 1.00 1.18 H new ATOM 0 HE22 GLN A 84 -5.590 -13.121 -11.409 1.00 1.18 H new ATOM 1307 N LYS A 85 -1.744 -8.730 -8.280 1.00 0.43 N ATOM 1308 CA LYS A 85 -1.682 -7.283 -8.610 1.00 0.38 C ATOM 1309 C LYS A 85 -2.613 -6.966 -9.788 1.00 0.31 C ATOM 1310 O LYS A 85 -2.589 -7.643 -10.797 1.00 0.36 O ATOM 1311 CB LYS A 85 -0.238 -6.949 -8.969 1.00 0.51 C ATOM 1312 CG LYS A 85 -0.049 -5.429 -9.025 1.00 0.46 C ATOM 1313 CD LYS A 85 1.455 -5.100 -8.985 1.00 0.56 C ATOM 1314 CE LYS A 85 1.798 -4.200 -10.168 1.00 1.29 C ATOM 1315 NZ LYS A 85 3.182 -3.660 -10.032 1.00 1.86 N ATOM 0 H LYS A 85 -0.892 -9.257 -8.472 1.00 0.43 H new ATOM 0 HA LYS A 85 -2.007 -6.685 -7.759 1.00 0.38 H new ATOM 0 HB2 LYS A 85 0.438 -7.381 -8.231 1.00 0.51 H new ATOM 0 HB3 LYS A 85 0.017 -7.391 -9.932 1.00 0.51 H new ATOM 0 HG2 LYS A 85 -0.496 -5.029 -9.935 1.00 0.46 H new ATOM 0 HG3 LYS A 85 -0.559 -4.957 -8.185 1.00 0.46 H new ATOM 0 HD2 LYS A 85 1.707 -4.603 -8.048 1.00 0.56 H new ATOM 0 HD3 LYS A 85 2.042 -6.017 -9.027 1.00 0.56 H new ATOM 0 HE2 LYS A 85 1.711 -4.763 -11.097 1.00 1.29 H new ATOM 0 HE3 LYS A 85 1.085 -3.378 -10.225 1.00 1.29 H new ATOM 0 HZ1 LYS A 85 3.260 -2.768 -10.560 1.00 1.86 H new ATOM 0 HZ2 LYS A 85 3.390 -3.487 -9.028 1.00 1.86 H new ATOM 0 HZ3 LYS A 85 3.862 -4.348 -10.413 1.00 1.86 H new ATOM 1329 N VAL A 86 -3.414 -5.936 -9.627 1.00 0.25 N ATOM 1330 CA VAL A 86 -4.370 -5.558 -10.718 1.00 0.23 C ATOM 1331 C VAL A 86 -4.266 -4.063 -11.043 1.00 0.23 C ATOM 1332 O VAL A 86 -4.653 -3.635 -12.114 1.00 0.25 O ATOM 1333 CB VAL A 86 -5.794 -5.873 -10.258 1.00 0.20 C ATOM 1334 CG1 VAL A 86 -6.019 -7.384 -10.324 1.00 0.28 C ATOM 1335 CG2 VAL A 86 -5.973 -5.401 -8.812 1.00 0.12 C ATOM 0 H VAL A 86 -3.447 -5.346 -8.795 1.00 0.25 H new ATOM 0 HA VAL A 86 -4.122 -6.126 -11.615 1.00 0.23 H new ATOM 0 HB VAL A 86 -6.511 -5.364 -10.903 1.00 0.20 H new ATOM 0 HG11 VAL A 86 -7.033 -7.616 -9.997 1.00 0.28 H new ATOM 0 HG12 VAL A 86 -5.881 -7.728 -11.349 1.00 0.28 H new ATOM 0 HG13 VAL A 86 -5.304 -7.887 -9.673 1.00 0.28 H new ATOM 0 HG21 VAL A 86 -6.987 -5.623 -8.480 1.00 0.12 H new ATOM 0 HG22 VAL A 86 -5.259 -5.917 -8.170 1.00 0.12 H new ATOM 0 HG23 VAL A 86 -5.800 -4.326 -8.756 1.00 0.12 H new ATOM 1345 N GLY A 87 -3.749 -3.298 -10.119 1.00 0.21 N ATOM 1346 CA GLY A 87 -3.632 -1.831 -10.373 1.00 0.20 C ATOM 1347 C GLY A 87 -2.376 -1.266 -9.713 1.00 0.18 C ATOM 1348 O GLY A 87 -1.882 -1.808 -8.743 1.00 0.18 O ATOM 0 H GLY A 87 -3.407 -3.618 -9.213 1.00 0.21 H new ATOM 0 HA2 GLY A 87 -3.600 -1.644 -11.446 1.00 0.20 H new ATOM 0 HA3 GLY A 87 -4.513 -1.319 -9.987 1.00 0.20 H new ATOM 1352 N GLU A 88 -1.881 -0.182 -10.254 1.00 0.18 N ATOM 1353 CA GLU A 88 -0.658 0.430 -9.664 1.00 0.17 C ATOM 1354 C GLU A 88 -0.407 1.819 -10.261 1.00 0.17 C ATOM 1355 O GLU A 88 -0.292 1.974 -11.459 1.00 0.17 O ATOM 1356 CB GLU A 88 0.540 -0.473 -9.960 1.00 0.18 C ATOM 1357 CG GLU A 88 1.830 0.350 -9.872 1.00 1.32 C ATOM 1358 CD GLU A 88 3.015 -0.591 -9.650 1.00 1.83 C ATOM 1359 OE1 GLU A 88 3.336 -1.292 -10.596 1.00 1.29 O ATOM 1360 OE2 GLU A 88 3.534 -0.556 -8.546 1.00 2.94 O ATOM 0 H GLU A 88 -2.266 0.298 -11.067 1.00 0.18 H new ATOM 0 HA GLU A 88 -0.797 0.535 -8.588 1.00 0.17 H new ATOM 0 HB2 GLU A 88 0.572 -1.298 -9.248 1.00 0.18 H new ATOM 0 HB3 GLU A 88 0.442 -0.912 -10.953 1.00 0.18 H new ATOM 0 HG2 GLU A 88 1.973 0.923 -10.788 1.00 1.32 H new ATOM 0 HG3 GLU A 88 1.762 1.068 -9.054 1.00 1.32 H new ATOM 1367 N PHE A 89 -0.330 2.797 -9.403 1.00 0.17 N ATOM 1368 CA PHE A 89 -0.065 4.176 -9.878 1.00 0.16 C ATOM 1369 C PHE A 89 0.792 4.917 -8.845 1.00 0.09 C ATOM 1370 O PHE A 89 0.508 4.885 -7.661 1.00 0.09 O ATOM 1371 CB PHE A 89 -1.403 4.878 -10.095 1.00 0.20 C ATOM 1372 CG PHE A 89 -1.884 5.559 -8.809 1.00 0.18 C ATOM 1373 CD1 PHE A 89 -1.340 6.764 -8.400 1.00 0.16 C ATOM 1374 CD2 PHE A 89 -2.879 4.976 -8.041 1.00 0.20 C ATOM 1375 CE1 PHE A 89 -1.785 7.375 -7.244 1.00 0.16 C ATOM 1376 CE2 PHE A 89 -3.322 5.587 -6.887 1.00 0.20 C ATOM 1377 CZ PHE A 89 -2.777 6.786 -6.489 1.00 0.17 C ATOM 0 H PHE A 89 -0.440 2.698 -8.394 1.00 0.17 H new ATOM 0 HA PHE A 89 0.484 4.162 -10.820 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.304 5.620 -10.888 1.00 0.20 H new ATOM 0 HB3 PHE A 89 -2.147 4.154 -10.427 1.00 0.20 H new ATOM 0 HD1 PHE A 89 -0.563 7.229 -8.988 1.00 0.16 H new ATOM 0 HD2 PHE A 89 -3.311 4.035 -8.349 1.00 0.20 H new ATOM 0 HE1 PHE A 89 -1.355 8.315 -6.931 1.00 0.16 H new ATOM 0 HE2 PHE A 89 -4.098 5.124 -6.295 1.00 0.20 H new ATOM 0 HZ PHE A 89 -3.126 7.265 -5.586 1.00 0.17 H new ATOM 1387 N SER A 90 1.830 5.563 -9.316 1.00 0.09 N ATOM 1388 CA SER A 90 2.737 6.284 -8.373 1.00 0.09 C ATOM 1389 C SER A 90 2.482 7.790 -8.388 1.00 0.07 C ATOM 1390 O SER A 90 1.711 8.288 -9.185 1.00 0.22 O ATOM 1391 CB SER A 90 4.185 6.013 -8.776 1.00 0.18 C ATOM 1392 OG SER A 90 4.363 6.771 -9.964 1.00 0.20 O ATOM 0 H SER A 90 2.086 5.622 -10.302 1.00 0.09 H new ATOM 0 HA SER A 90 2.543 5.921 -7.364 1.00 0.09 H new ATOM 0 HB2 SER A 90 4.880 6.325 -7.997 1.00 0.18 H new ATOM 0 HB3 SER A 90 4.358 4.951 -8.951 1.00 0.18 H new ATOM 0 HG SER A 90 5.279 6.653 -10.293 1.00 0.20 H new ATOM 1398 N GLY A 91 3.147 8.478 -7.490 1.00 0.14 N ATOM 1399 CA GLY A 91 2.978 9.958 -7.406 1.00 0.13 C ATOM 1400 C GLY A 91 2.332 10.336 -6.074 1.00 0.19 C ATOM 1401 O GLY A 91 1.578 9.570 -5.508 1.00 0.35 O ATOM 0 H GLY A 91 3.797 8.077 -6.814 1.00 0.14 H new ATOM 0 HA2 GLY A 91 3.947 10.449 -7.502 1.00 0.13 H new ATOM 0 HA3 GLY A 91 2.359 10.309 -8.232 1.00 0.13 H new ATOM 1405 N ALA A 92 2.639 11.511 -5.597 1.00 0.09 N ATOM 1406 CA ALA A 92 2.045 11.953 -4.302 1.00 0.16 C ATOM 1407 C ALA A 92 0.547 12.257 -4.474 1.00 0.35 C ATOM 1408 O ALA A 92 -0.010 13.059 -3.752 1.00 0.93 O ATOM 1409 CB ALA A 92 2.770 13.210 -3.821 1.00 0.18 C ATOM 0 H ALA A 92 3.269 12.179 -6.042 1.00 0.09 H new ATOM 0 HA ALA A 92 2.157 11.155 -3.568 1.00 0.16 H new ATOM 0 HB1 ALA A 92 2.340 13.538 -2.875 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.828 12.989 -3.682 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.659 14.000 -4.563 1.00 0.18 H new ATOM 1415 N ASN A 93 -0.070 11.609 -5.429 1.00 0.57 N ATOM 1416 CA ASN A 93 -1.526 11.846 -5.654 1.00 0.63 C ATOM 1417 C ASN A 93 -2.341 11.139 -4.569 1.00 0.50 C ATOM 1418 O ASN A 93 -2.463 9.930 -4.570 1.00 0.52 O ATOM 1419 CB ASN A 93 -1.917 11.301 -7.025 1.00 0.76 C ATOM 1420 CG ASN A 93 -2.806 12.319 -7.739 1.00 0.93 C ATOM 1421 OD1 ASN A 93 -2.671 12.555 -8.923 1.00 1.13 O ATOM 1422 ND2 ASN A 93 -3.727 12.941 -7.058 1.00 0.96 N ATOM 0 H ASN A 93 0.366 10.933 -6.056 1.00 0.57 H new ATOM 0 HA ASN A 93 -1.730 12.916 -5.612 1.00 0.63 H new ATOM 0 HB2 ASN A 93 -1.024 11.102 -7.618 1.00 0.76 H new ATOM 0 HB3 ASN A 93 -2.445 10.354 -6.915 1.00 0.76 H new ATOM 0 HD21 ASN A 93 -4.330 13.622 -7.519 1.00 0.96 H new ATOM 0 HD22 ASN A 93 -3.845 12.747 -6.064 1.00 0.96 H new ATOM 1429 N LYS A 94 -2.882 11.909 -3.667 1.00 0.48 N ATOM 1430 CA LYS A 94 -3.685 11.304 -2.564 1.00 0.52 C ATOM 1431 C LYS A 94 -5.183 11.417 -2.864 1.00 0.46 C ATOM 1432 O LYS A 94 -5.958 10.557 -2.499 1.00 0.62 O ATOM 1433 CB LYS A 94 -3.364 12.037 -1.267 1.00 0.81 C ATOM 1434 CG LYS A 94 -3.671 13.526 -1.449 1.00 0.73 C ATOM 1435 CD LYS A 94 -3.251 14.295 -0.200 1.00 0.89 C ATOM 1436 CE LYS A 94 -2.589 15.611 -0.616 1.00 0.63 C ATOM 1437 NZ LYS A 94 -3.534 16.436 -1.422 1.00 1.13 N ATOM 0 H LYS A 94 -2.805 12.926 -3.644 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.433 10.248 -2.472 1.00 0.52 H new ATOM 0 HB2 LYS A 94 -3.954 11.628 -0.447 1.00 0.81 H new ATOM 0 HB3 LYS A 94 -2.315 11.898 -1.005 1.00 0.81 H new ATOM 0 HG2 LYS A 94 -3.142 13.912 -2.320 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -4.736 13.668 -1.634 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -4.119 14.494 0.428 1.00 0.89 H new ATOM 0 HD3 LYS A 94 -2.559 13.698 0.393 1.00 0.89 H new ATOM 0 HE2 LYS A 94 -2.277 16.165 0.270 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -1.690 15.405 -1.196 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 -3.188 17.416 -1.467 1.00 1.13 H new ATOM 0 HZ2 LYS A 94 -3.600 16.047 -2.384 1.00 1.13 H new ATOM 0 HZ3 LYS A 94 -4.474 16.421 -0.977 1.00 1.13 H new ATOM 1451 N GLU A 95 -5.561 12.478 -3.521 1.00 0.49 N ATOM 1452 CA GLU A 95 -6.998 12.660 -3.848 1.00 0.47 C ATOM 1453 C GLU A 95 -7.435 11.632 -4.898 1.00 0.29 C ATOM 1454 O GLU A 95 -8.612 11.411 -5.100 1.00 0.43 O ATOM 1455 CB GLU A 95 -7.215 14.072 -4.391 1.00 0.51 C ATOM 1456 CG GLU A 95 -6.241 14.323 -5.544 1.00 2.34 C ATOM 1457 CD GLU A 95 -5.254 15.421 -5.144 1.00 3.34 C ATOM 1458 OE1 GLU A 95 -5.659 16.568 -5.228 1.00 3.24 O ATOM 1459 OE2 GLU A 95 -4.151 15.050 -4.779 1.00 4.44 O ATOM 0 H GLU A 95 -4.940 13.221 -3.843 1.00 0.49 H new ATOM 0 HA GLU A 95 -7.593 12.516 -2.946 1.00 0.47 H new ATOM 0 HB2 GLU A 95 -8.243 14.188 -4.735 1.00 0.51 H new ATOM 0 HB3 GLU A 95 -7.059 14.806 -3.601 1.00 0.51 H new ATOM 0 HG2 GLU A 95 -5.704 13.406 -5.787 1.00 2.34 H new ATOM 0 HG3 GLU A 95 -6.788 14.619 -6.439 1.00 2.34 H new ATOM 1466 N LYS A 96 -6.474 11.029 -5.541 1.00 0.07 N ATOM 1467 CA LYS A 96 -6.812 10.016 -6.580 1.00 0.19 C ATOM 1468 C LYS A 96 -7.120 8.668 -5.912 1.00 0.19 C ATOM 1469 O LYS A 96 -7.954 7.923 -6.379 1.00 0.20 O ATOM 1470 CB LYS A 96 -5.618 9.871 -7.527 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.993 8.961 -8.714 1.00 0.63 C ATOM 1472 CD LYS A 96 -6.437 9.827 -9.900 1.00 1.47 C ATOM 1473 CE LYS A 96 -5.209 10.250 -10.716 1.00 0.68 C ATOM 1474 NZ LYS A 96 -4.025 10.454 -9.834 1.00 1.08 N ATOM 0 H LYS A 96 -5.478 11.191 -5.394 1.00 0.07 H new ATOM 0 HA LYS A 96 -7.691 10.335 -7.140 1.00 0.19 H new ATOM 0 HB2 LYS A 96 -5.312 10.851 -7.892 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.767 9.451 -6.991 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -5.140 8.346 -8.998 1.00 0.63 H new ATOM 0 HG3 LYS A 96 -6.795 8.281 -8.426 1.00 0.63 H new ATOM 0 HD2 LYS A 96 -7.131 9.271 -10.530 1.00 1.47 H new ATOM 0 HD3 LYS A 96 -6.969 10.708 -9.541 1.00 1.47 H new ATOM 0 HE2 LYS A 96 -4.984 9.488 -11.462 1.00 0.68 H new ATOM 0 HE3 LYS A 96 -5.427 11.171 -11.257 1.00 0.68 H new ATOM 0 HZ1 LYS A 96 -3.203 9.961 -10.237 1.00 1.08 H new ATOM 0 HZ2 LYS A 96 -3.818 11.470 -9.761 1.00 1.08 H new ATOM 0 HZ3 LYS A 96 -4.227 10.073 -8.888 1.00 1.08 H new ATOM 1488 N LEU A 97 -6.437 8.388 -4.829 1.00 0.19 N ATOM 1489 CA LEU A 97 -6.677 7.092 -4.115 1.00 0.19 C ATOM 1490 C LEU A 97 -8.180 6.795 -4.045 1.00 0.17 C ATOM 1491 O LEU A 97 -8.629 5.745 -4.452 1.00 0.13 O ATOM 1492 CB LEU A 97 -6.133 7.196 -2.686 1.00 0.27 C ATOM 1493 CG LEU A 97 -4.670 6.736 -2.646 1.00 0.45 C ATOM 1494 CD1 LEU A 97 -4.043 7.197 -1.328 1.00 0.45 C ATOM 1495 CD2 LEU A 97 -4.602 5.202 -2.724 1.00 0.86 C ATOM 0 H LEU A 97 -5.730 8.993 -4.411 1.00 0.19 H new ATOM 0 HA LEU A 97 -6.174 6.292 -4.658 1.00 0.19 H new ATOM 0 HB2 LEU A 97 -6.209 8.225 -2.333 1.00 0.27 H new ATOM 0 HB3 LEU A 97 -6.734 6.583 -2.014 1.00 0.27 H new ATOM 0 HG LEU A 97 -4.131 7.164 -3.492 1.00 0.45 H new ATOM 0 HD11 LEU A 97 -3.002 6.876 -1.288 1.00 0.45 H new ATOM 0 HD12 LEU A 97 -4.090 8.284 -1.263 1.00 0.45 H new ATOM 0 HD13 LEU A 97 -4.590 6.760 -0.492 1.00 0.45 H new ATOM 0 HD21 LEU A 97 -3.560 4.882 -2.695 1.00 0.86 H new ATOM 0 HD22 LEU A 97 -5.138 4.771 -1.878 1.00 0.86 H new ATOM 0 HD23 LEU A 97 -5.060 4.864 -3.654 1.00 0.86 H new ATOM 1507 N GLU A 98 -8.919 7.736 -3.525 1.00 0.21 N ATOM 1508 CA GLU A 98 -10.395 7.541 -3.402 1.00 0.22 C ATOM 1509 C GLU A 98 -10.982 7.013 -4.710 1.00 0.19 C ATOM 1510 O GLU A 98 -11.363 5.866 -4.809 1.00 0.19 O ATOM 1511 CB GLU A 98 -11.042 8.885 -3.048 1.00 0.25 C ATOM 1512 CG GLU A 98 -12.567 8.796 -3.227 1.00 0.62 C ATOM 1513 CD GLU A 98 -13.087 7.514 -2.573 1.00 1.91 C ATOM 1514 OE1 GLU A 98 -12.871 7.389 -1.379 1.00 2.38 O ATOM 1515 OE2 GLU A 98 -13.671 6.732 -3.304 1.00 3.16 O ATOM 0 H GLU A 98 -8.568 8.630 -3.180 1.00 0.21 H new ATOM 0 HA GLU A 98 -10.596 6.809 -2.620 1.00 0.22 H new ATOM 0 HB2 GLU A 98 -10.803 9.154 -2.019 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.638 9.672 -3.685 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -13.047 9.666 -2.778 1.00 0.62 H new ATOM 0 HG3 GLU A 98 -12.820 8.804 -4.287 1.00 0.62 H new ATOM 1522 N ALA A 99 -11.042 7.862 -5.682 1.00 0.19 N ATOM 1523 CA ALA A 99 -11.611 7.433 -6.996 1.00 0.18 C ATOM 1524 C ALA A 99 -10.981 6.109 -7.438 1.00 0.14 C ATOM 1525 O ALA A 99 -11.649 5.251 -7.979 1.00 0.19 O ATOM 1526 CB ALA A 99 -11.328 8.510 -8.042 1.00 0.14 C ATOM 0 H ALA A 99 -10.727 8.831 -5.635 1.00 0.19 H new ATOM 0 HA ALA A 99 -12.687 7.293 -6.892 1.00 0.18 H new ATOM 0 HB1 ALA A 99 -11.741 8.202 -9.002 1.00 0.14 H new ATOM 0 HB2 ALA A 99 -11.789 9.448 -7.733 1.00 0.14 H new ATOM 0 HB3 ALA A 99 -10.251 8.650 -8.138 1.00 0.14 H new ATOM 1532 N THR A 100 -9.707 5.971 -7.197 1.00 0.11 N ATOM 1533 CA THR A 100 -9.022 4.707 -7.593 1.00 0.10 C ATOM 1534 C THR A 100 -9.683 3.519 -6.890 1.00 0.15 C ATOM 1535 O THR A 100 -9.937 2.498 -7.496 1.00 0.11 O ATOM 1536 CB THR A 100 -7.545 4.787 -7.199 1.00 0.18 C ATOM 1537 OG1 THR A 100 -7.133 6.088 -7.600 1.00 0.25 O ATOM 1538 CG2 THR A 100 -6.692 3.829 -8.023 1.00 0.16 C ATOM 0 H THR A 100 -9.115 6.670 -6.748 1.00 0.11 H new ATOM 0 HA THR A 100 -9.103 4.571 -8.671 1.00 0.10 H new ATOM 0 HB THR A 100 -7.431 4.557 -6.140 1.00 0.18 H new ATOM 0 HG1 THR A 100 -7.425 6.744 -6.933 1.00 0.25 H new ATOM 0 HG21 THR A 100 -5.650 3.914 -7.716 1.00 0.16 H new ATOM 0 HG22 THR A 100 -7.036 2.807 -7.864 1.00 0.16 H new ATOM 0 HG23 THR A 100 -6.780 4.081 -9.080 1.00 0.16 H new ATOM 1546 N ILE A 101 -9.947 3.676 -5.621 1.00 0.23 N ATOM 1547 CA ILE A 101 -10.609 2.570 -4.877 1.00 0.29 C ATOM 1548 C ILE A 101 -11.948 2.280 -5.538 1.00 0.28 C ATOM 1549 O ILE A 101 -12.352 1.144 -5.676 1.00 0.28 O ATOM 1550 CB ILE A 101 -10.819 3.001 -3.410 1.00 0.40 C ATOM 1551 CG1 ILE A 101 -9.477 2.923 -2.637 1.00 0.47 C ATOM 1552 CG2 ILE A 101 -11.872 2.105 -2.742 1.00 0.35 C ATOM 1553 CD1 ILE A 101 -9.197 1.488 -2.148 1.00 1.85 C ATOM 0 H ILE A 101 -9.736 4.511 -5.074 1.00 0.23 H new ATOM 0 HA ILE A 101 -9.992 1.672 -4.894 1.00 0.29 H new ATOM 0 HB ILE A 101 -11.175 4.031 -3.391 1.00 0.40 H new ATOM 0 HG12 ILE A 101 -8.663 3.255 -3.282 1.00 0.47 H new ATOM 0 HG13 ILE A 101 -9.506 3.601 -1.784 1.00 0.47 H new ATOM 0 HG21 ILE A 101 -12.012 2.418 -1.707 1.00 0.35 H new ATOM 0 HG22 ILE A 101 -12.817 2.192 -3.279 1.00 0.35 H new ATOM 0 HG23 ILE A 101 -11.535 1.069 -2.765 1.00 0.35 H new ATOM 0 HD11 ILE A 101 -8.249 1.465 -1.610 1.00 1.85 H new ATOM 0 HD12 ILE A 101 -9.999 1.167 -1.484 1.00 1.85 H new ATOM 0 HD13 ILE A 101 -9.144 0.816 -3.004 1.00 1.85 H new ATOM 1565 N ASN A 102 -12.601 3.324 -5.935 1.00 0.28 N ATOM 1566 CA ASN A 102 -13.911 3.160 -6.612 1.00 0.33 C ATOM 1567 C ASN A 102 -13.699 2.429 -7.937 1.00 0.29 C ATOM 1568 O ASN A 102 -14.636 1.977 -8.564 1.00 0.36 O ATOM 1569 CB ASN A 102 -14.500 4.544 -6.882 1.00 0.36 C ATOM 1570 CG ASN A 102 -16.002 4.531 -6.602 1.00 0.36 C ATOM 1571 OD1 ASN A 102 -16.647 3.503 -6.647 1.00 0.27 O ATOM 1572 ND2 ASN A 102 -16.594 5.655 -6.308 1.00 0.90 N ATOM 0 H ASN A 102 -12.286 4.288 -5.821 1.00 0.28 H new ATOM 0 HA ASN A 102 -14.591 2.585 -5.984 1.00 0.33 H new ATOM 0 HB2 ASN A 102 -14.010 5.287 -6.253 1.00 0.36 H new ATOM 0 HB3 ASN A 102 -14.316 4.832 -7.917 1.00 0.36 H new ATOM 0 HD21 ASN A 102 -17.596 5.669 -6.117 1.00 0.90 H new ATOM 0 HD22 ASN A 102 -16.055 6.520 -6.269 1.00 0.90 H new ATOM 1579 N GLU A 103 -12.456 2.329 -8.328 1.00 0.18 N ATOM 1580 CA GLU A 103 -12.137 1.641 -9.607 1.00 0.17 C ATOM 1581 C GLU A 103 -12.249 0.120 -9.447 1.00 0.18 C ATOM 1582 O GLU A 103 -12.794 -0.551 -10.302 1.00 0.30 O ATOM 1583 CB GLU A 103 -10.711 2.006 -10.022 1.00 0.11 C ATOM 1584 CG GLU A 103 -10.580 1.888 -11.542 1.00 0.23 C ATOM 1585 CD GLU A 103 -9.134 2.180 -11.946 1.00 1.38 C ATOM 1586 OE1 GLU A 103 -8.268 1.771 -11.189 1.00 2.55 O ATOM 1587 OE2 GLU A 103 -8.976 2.796 -12.987 1.00 1.42 O ATOM 0 H GLU A 103 -11.652 2.694 -7.817 1.00 0.18 H new ATOM 0 HA GLU A 103 -12.847 1.961 -10.370 1.00 0.17 H new ATOM 0 HB2 GLU A 103 -10.476 3.021 -9.703 1.00 0.11 H new ATOM 0 HB3 GLU A 103 -9.997 1.345 -9.532 1.00 0.11 H new ATOM 0 HG2 GLU A 103 -10.866 0.888 -11.867 1.00 0.23 H new ATOM 0 HG3 GLU A 103 -11.256 2.588 -12.033 1.00 0.23 H new ATOM 1594 N LEU A 104 -11.736 -0.396 -8.351 1.00 0.18 N ATOM 1595 CA LEU A 104 -11.798 -1.880 -8.140 1.00 0.24 C ATOM 1596 C LEU A 104 -12.894 -2.255 -7.132 1.00 0.44 C ATOM 1597 O LEU A 104 -13.178 -3.419 -6.934 1.00 0.61 O ATOM 1598 CB LEU A 104 -10.443 -2.376 -7.622 1.00 0.29 C ATOM 1599 CG LEU A 104 -9.316 -1.783 -8.478 1.00 0.25 C ATOM 1600 CD1 LEU A 104 -7.991 -2.440 -8.083 1.00 0.42 C ATOM 1601 CD2 LEU A 104 -9.591 -2.069 -9.958 1.00 0.17 C ATOM 0 H LEU A 104 -11.285 0.136 -7.606 1.00 0.18 H new ATOM 0 HA LEU A 104 -12.034 -2.351 -9.094 1.00 0.24 H new ATOM 0 HB2 LEU A 104 -10.313 -2.086 -6.579 1.00 0.29 H new ATOM 0 HB3 LEU A 104 -10.405 -3.465 -7.657 1.00 0.29 H new ATOM 0 HG LEU A 104 -9.264 -0.706 -8.317 1.00 0.25 H new ATOM 0 HD11 LEU A 104 -7.184 -2.024 -8.687 1.00 0.42 H new ATOM 0 HD12 LEU A 104 -7.790 -2.249 -7.029 1.00 0.42 H new ATOM 0 HD13 LEU A 104 -8.053 -3.515 -8.252 1.00 0.42 H new ATOM 0 HD21 LEU A 104 -8.790 -1.647 -10.565 1.00 0.17 H new ATOM 0 HD22 LEU A 104 -9.639 -3.146 -10.118 1.00 0.17 H new ATOM 0 HD23 LEU A 104 -10.540 -1.617 -10.246 1.00 0.17 H new ATOM 1613 N VAL A 105 -13.490 -1.272 -6.518 1.00 0.43 N ATOM 1614 CA VAL A 105 -14.565 -1.585 -5.526 1.00 0.63 C ATOM 1615 C VAL A 105 -15.619 -2.497 -6.164 1.00 0.85 C ATOM 1616 O VAL A 105 -16.270 -3.190 -5.400 1.00 0.97 O ATOM 1617 CB VAL A 105 -15.229 -0.286 -5.064 1.00 0.52 C ATOM 1618 CG1 VAL A 105 -16.255 0.160 -6.108 1.00 0.55 C ATOM 1619 CG2 VAL A 105 -15.944 -0.533 -3.733 1.00 0.52 C ATOM 1620 OXT VAL A 105 -15.712 -2.448 -7.380 1.00 1.90 O ATOM 0 H VAL A 105 -13.287 -0.282 -6.653 1.00 0.43 H new ATOM 0 HA VAL A 105 -14.122 -2.095 -4.671 1.00 0.63 H new ATOM 0 HB VAL A 105 -14.471 0.488 -4.940 1.00 0.52 H new ATOM 0 HG11 VAL A 105 -16.729 1.085 -5.780 1.00 0.55 H new ATOM 0 HG12 VAL A 105 -15.755 0.327 -7.062 1.00 0.55 H new ATOM 0 HG13 VAL A 105 -17.013 -0.614 -6.227 1.00 0.55 H new ATOM 0 HG21 VAL A 105 -16.419 0.389 -3.399 1.00 0.52 H new ATOM 0 HG22 VAL A 105 -16.702 -1.305 -3.865 1.00 0.52 H new ATOM 0 HG23 VAL A 105 -15.220 -0.860 -2.986 1.00 0.52 H new