USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 785 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.03) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 27 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00995 X(o=-0.01,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.011) USER MOD Single : A 55 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 0.00601 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 25:sc= 0.227 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= -0.278 (180deg=-0.278) USER MOD Single : A 89 ASN : amide:sc= -0.691 K(o=-0.69,f=-6.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.102 USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.855) USER MOD Single : A 97 THR OG1 : rot -113:sc= 0.206 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.13 K(o=-1.1,f=-11!) USER MOD Single : A 106 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 107 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.076) USER MOD Single : A 108 SER OG : rot 87:sc= -0.822 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 115 SER OG : rot -38:sc= -0.762! USER MOD Single : A 117 MET CE :methyl 172:sc= -0.372 (180deg=-0.462) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc=-0.00874 USER MOD Single : A 124 SER OG : rot 43:sc= 0.443 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.851 -8.221 24.350 1.00 0.00 N ATOM 2 CA GLY A 1 -1.279 -7.742 23.045 1.00 0.00 C ATOM 3 C GLY A 1 -2.494 -8.525 22.546 1.00 0.00 C ATOM 4 O GLY A 1 -3.633 -8.113 22.760 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.025 -7.674 24.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.626 -8.105 25.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.595 -9.227 24.284 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.525 -6.682 23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.461 -7.839 22.331 1.00 0.00 H new ATOM 8 N SER A 2 -2.210 -9.639 21.888 1.00 0.00 N ATOM 9 CA SER A 2 -3.267 -10.483 21.356 1.00 0.00 C ATOM 10 C SER A 2 -4.010 -9.750 20.237 1.00 0.00 C ATOM 11 O SER A 2 -3.800 -8.557 20.027 1.00 0.00 O ATOM 12 CB SER A 2 -4.243 -10.904 22.456 1.00 0.00 C ATOM 13 OG SER A 2 -4.559 -12.292 22.387 1.00 0.00 O ATOM 0 H SER A 2 -1.264 -9.977 21.711 1.00 0.00 H new ATOM 0 HA SER A 2 -2.811 -11.385 20.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.810 -10.679 23.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.159 -10.319 22.371 1.00 0.00 H new ATOM 0 HG SER A 2 -5.183 -12.522 23.107 1.00 0.00 H new ATOM 18 N SER A 3 -4.863 -10.495 19.550 1.00 0.00 N ATOM 19 CA SER A 3 -5.639 -9.930 18.459 1.00 0.00 C ATOM 20 C SER A 3 -6.462 -11.025 17.780 1.00 0.00 C ATOM 21 O SER A 3 -5.984 -12.145 17.600 1.00 0.00 O ATOM 22 CB SER A 3 -4.732 -9.239 17.439 1.00 0.00 C ATOM 23 OG SER A 3 -5.230 -7.956 17.065 1.00 0.00 O ATOM 0 H SER A 3 -5.034 -11.485 19.727 1.00 0.00 H new ATOM 0 HA SER A 3 -6.314 -9.181 18.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.731 -9.132 17.858 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.641 -9.865 16.552 1.00 0.00 H new ATOM 0 HG SER A 3 -4.623 -7.546 16.414 1.00 0.00 H new ATOM 28 N GLY A 4 -7.687 -10.666 17.423 1.00 0.00 N ATOM 29 CA GLY A 4 -8.580 -11.604 16.768 1.00 0.00 C ATOM 30 C GLY A 4 -9.990 -11.022 16.640 1.00 0.00 C ATOM 31 O GLY A 4 -10.175 -9.959 16.053 1.00 0.00 O ATOM 0 H GLY A 4 -8.081 -9.738 17.576 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.193 -11.850 15.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.617 -12.534 17.336 1.00 0.00 H new ATOM 35 N SER A 5 -10.948 -11.745 17.204 1.00 0.00 N ATOM 36 CA SER A 5 -12.335 -11.313 17.162 1.00 0.00 C ATOM 37 C SER A 5 -12.825 -11.270 15.713 1.00 0.00 C ATOM 38 O SER A 5 -12.020 -11.236 14.783 1.00 0.00 O ATOM 39 CB SER A 5 -12.505 -9.943 17.821 1.00 0.00 C ATOM 40 OG SER A 5 -12.348 -10.008 19.236 1.00 0.00 O ATOM 0 H SER A 5 -10.790 -12.627 17.692 1.00 0.00 H new ATOM 0 HA SER A 5 -12.935 -12.031 17.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.774 -9.248 17.407 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.492 -9.546 17.584 1.00 0.00 H new ATOM 0 HG SER A 5 -12.462 -9.113 19.619 1.00 0.00 H new ATOM 45 N SER A 6 -14.141 -11.271 15.566 1.00 0.00 N ATOM 46 CA SER A 6 -14.749 -11.232 14.246 1.00 0.00 C ATOM 47 C SER A 6 -14.331 -12.465 13.442 1.00 0.00 C ATOM 48 O SER A 6 -13.267 -13.034 13.679 1.00 0.00 O ATOM 49 CB SER A 6 -14.360 -9.955 13.500 1.00 0.00 C ATOM 50 OG SER A 6 -15.311 -8.912 13.694 1.00 0.00 O ATOM 0 H SER A 6 -14.805 -11.298 16.340 1.00 0.00 H new ATOM 0 HA SER A 6 -15.832 -11.235 14.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.380 -9.620 13.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.270 -10.170 12.435 1.00 0.00 H new ATOM 0 HG SER A 6 -15.025 -8.113 13.203 1.00 0.00 H new ATOM 55 N GLY A 7 -15.192 -12.842 12.509 1.00 0.00 N ATOM 56 CA GLY A 7 -14.928 -13.998 11.669 1.00 0.00 C ATOM 57 C GLY A 7 -15.208 -13.682 10.199 1.00 0.00 C ATOM 58 O GLY A 7 -16.349 -13.419 9.823 1.00 0.00 O ATOM 0 H GLY A 7 -16.074 -12.367 12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.890 -14.308 11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.549 -14.835 11.990 1.00 0.00 H new ATOM 62 N GLY A 8 -14.146 -13.718 9.406 1.00 0.00 N ATOM 63 CA GLY A 8 -14.263 -13.439 7.985 1.00 0.00 C ATOM 64 C GLY A 8 -12.914 -13.026 7.394 1.00 0.00 C ATOM 65 O GLY A 8 -12.096 -13.878 7.050 1.00 0.00 O ATOM 0 H GLY A 8 -13.201 -13.936 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.636 -14.323 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.992 -12.645 7.826 1.00 0.00 H new ATOM 69 N PRO A 9 -12.717 -11.684 7.294 1.00 0.00 N ATOM 70 CA PRO A 9 -11.480 -11.149 6.750 1.00 0.00 C ATOM 71 C PRO A 9 -10.338 -11.276 7.761 1.00 0.00 C ATOM 72 O PRO A 9 -10.563 -11.622 8.919 1.00 0.00 O ATOM 73 CB PRO A 9 -11.800 -9.706 6.394 1.00 0.00 C ATOM 74 CG PRO A 9 -13.055 -9.352 7.174 1.00 0.00 C ATOM 75 CD PRO A 9 -13.662 -10.645 7.693 1.00 0.00 C ATOM 0 HA PRO A 9 -11.134 -11.695 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.975 -9.046 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.962 -9.595 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.815 -8.684 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.765 -8.826 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.787 -10.617 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.648 -10.820 7.263 1.00 0.00 H new ATOM 80 N LYS A 10 -9.134 -10.988 7.285 1.00 0.00 N ATOM 81 CA LYS A 10 -7.957 -11.066 8.132 1.00 0.00 C ATOM 82 C LYS A 10 -7.683 -9.691 8.744 1.00 0.00 C ATOM 83 O LYS A 10 -7.981 -8.665 8.135 1.00 0.00 O ATOM 84 CB LYS A 10 -6.773 -11.637 7.349 1.00 0.00 C ATOM 85 CG LYS A 10 -5.465 -11.460 8.126 1.00 0.00 C ATOM 86 CD LYS A 10 -5.345 -12.504 9.239 1.00 0.00 C ATOM 87 CE LYS A 10 -3.920 -13.057 9.318 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.897 -14.318 10.092 1.00 0.00 N ATOM 0 H LYS A 10 -8.950 -10.701 6.324 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.127 -11.755 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.941 -12.695 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.697 -11.138 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.618 -11.549 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.425 -10.459 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.619 -12.056 10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.046 -13.319 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.535 -13.233 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.264 -12.323 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.923 -14.680 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.244 -14.140 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.507 -15.021 9.628 1.00 0.00 H new ATOM 98 N THR A 11 -7.118 -9.715 9.943 1.00 0.00 N ATOM 99 CA THR A 11 -6.801 -8.483 10.645 1.00 0.00 C ATOM 100 C THR A 11 -5.398 -8.559 11.249 1.00 0.00 C ATOM 101 O THR A 11 -5.021 -9.576 11.828 1.00 0.00 O ATOM 102 CB THR A 11 -7.896 -8.237 11.684 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.111 -8.437 10.966 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.964 -6.774 12.128 1.00 0.00 C ATOM 0 H THR A 11 -6.872 -10.568 10.445 1.00 0.00 H new ATOM 0 HA THR A 11 -6.782 -7.633 9.963 1.00 0.00 H new ATOM 0 HB THR A 11 -7.720 -8.873 12.552 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.873 -8.298 11.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.758 -6.654 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.011 -6.483 12.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.172 -6.141 11.265 1.00 0.00 H new ATOM 112 N VAL A 12 -4.661 -7.469 11.091 1.00 0.00 N ATOM 113 CA VAL A 12 -3.306 -7.399 11.612 1.00 0.00 C ATOM 114 C VAL A 12 -3.035 -5.986 12.129 1.00 0.00 C ATOM 115 O VAL A 12 -3.191 -5.012 11.394 1.00 0.00 O ATOM 116 CB VAL A 12 -2.310 -7.846 10.540 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.012 -9.341 10.657 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.816 -7.495 9.139 1.00 0.00 C ATOM 0 H VAL A 12 -4.977 -6.627 10.609 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.184 -8.081 12.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.378 -7.305 10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.302 -9.632 9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.586 -9.551 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.935 -9.907 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.089 -7.824 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.768 -7.994 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.952 -6.416 9.061 1.00 0.00 H new ATOM 128 N THR A 13 -2.634 -5.917 13.390 1.00 0.00 N ATOM 129 CA THR A 13 -2.341 -4.638 14.014 1.00 0.00 C ATOM 130 C THR A 13 -0.829 -4.430 14.117 1.00 0.00 C ATOM 131 O THR A 13 -0.067 -5.395 14.161 1.00 0.00 O ATOM 132 CB THR A 13 -3.053 -4.598 15.368 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.429 -4.778 15.042 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.002 -3.213 16.015 1.00 0.00 C ATOM 0 H THR A 13 -2.505 -6.727 13.997 1.00 0.00 H new ATOM 0 HA THR A 13 -2.712 -3.809 13.411 1.00 0.00 H new ATOM 0 HB THR A 13 -2.600 -5.329 16.038 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.964 -4.767 15.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.521 -3.240 16.973 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.963 -2.923 16.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.485 -2.488 15.360 1.00 0.00 H new ATOM 142 N LEU A 14 -0.439 -3.163 14.152 1.00 0.00 N ATOM 143 CA LEU A 14 0.969 -2.817 14.248 1.00 0.00 C ATOM 144 C LEU A 14 1.144 -1.695 15.275 1.00 0.00 C ATOM 145 O LEU A 14 0.163 -1.116 15.738 1.00 0.00 O ATOM 146 CB LEU A 14 1.533 -2.480 12.866 1.00 0.00 C ATOM 147 CG LEU A 14 1.355 -3.552 11.790 1.00 0.00 C ATOM 148 CD1 LEU A 14 -0.012 -3.429 11.113 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.502 -3.507 10.777 1.00 0.00 C ATOM 0 H LEU A 14 -1.073 -2.365 14.116 1.00 0.00 H new ATOM 0 HA LEU A 14 1.548 -3.669 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.061 -1.561 12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.598 -2.272 12.971 1.00 0.00 H new ATOM 0 HG LEU A 14 1.388 -4.529 12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.112 -4.203 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.799 -3.548 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.100 -2.448 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.352 -4.279 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.524 -2.529 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.448 -3.681 11.290 1.00 0.00 H new ATOM 160 N LYS A 15 2.400 -1.423 15.597 1.00 0.00 N ATOM 161 CA LYS A 15 2.715 -0.383 16.560 1.00 0.00 C ATOM 162 C LYS A 15 3.922 0.417 16.063 1.00 0.00 C ATOM 163 O LYS A 15 5.013 -0.131 15.911 1.00 0.00 O ATOM 164 CB LYS A 15 2.907 -0.981 17.955 1.00 0.00 C ATOM 165 CG LYS A 15 1.741 -1.902 18.322 1.00 0.00 C ATOM 166 CD LYS A 15 1.551 -1.970 19.837 1.00 0.00 C ATOM 167 CE LYS A 15 0.940 -3.308 20.254 1.00 0.00 C ATOM 168 NZ LYS A 15 1.085 -3.513 21.712 1.00 0.00 N ATOM 0 H LYS A 15 3.211 -1.905 15.208 1.00 0.00 H new ATOM 0 HA LYS A 15 1.883 0.315 16.651 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.842 -1.541 17.989 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.988 -0.180 18.690 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.826 -1.540 17.853 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.926 -2.902 17.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.512 -1.834 20.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.906 -1.154 20.163 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.115 -3.334 19.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.428 -4.121 19.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.665 -4.426 21.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.094 -3.510 21.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.599 -2.747 22.220 1.00 0.00 H new ATOM 178 N ARG A 16 3.686 1.698 15.823 1.00 0.00 N ATOM 179 CA ARG A 16 4.738 2.578 15.345 1.00 0.00 C ATOM 180 C ARG A 16 6.033 2.325 16.123 1.00 0.00 C ATOM 181 O ARG A 16 6.113 2.622 17.314 1.00 0.00 O ATOM 182 CB ARG A 16 4.339 4.048 15.496 1.00 0.00 C ATOM 183 CG ARG A 16 5.415 4.970 14.916 1.00 0.00 C ATOM 184 CD ARG A 16 4.795 6.024 13.997 1.00 0.00 C ATOM 185 NE ARG A 16 5.574 7.280 14.071 1.00 0.00 N ATOM 186 CZ ARG A 16 5.258 8.400 13.407 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.178 8.427 12.615 1.00 0.00 N ATOM 188 NH2 ARG A 16 6.023 9.492 13.534 1.00 0.00 N ATOM 0 H ARG A 16 2.780 2.148 15.951 1.00 0.00 H new ATOM 0 HA ARG A 16 4.896 2.364 14.288 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.391 4.225 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.185 4.281 16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.954 5.461 15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.143 4.380 14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.776 5.658 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.761 6.210 14.288 1.00 0.00 H new ATOM 0 HE ARG A 16 6.403 7.294 14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.596 7.595 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.937 9.280 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.846 9.471 14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.783 10.345 13.029 1.00 0.00 H new ATOM 199 N THR A 17 7.013 1.783 15.417 1.00 0.00 N ATOM 200 CA THR A 17 8.299 1.487 16.025 1.00 0.00 C ATOM 201 C THR A 17 9.430 2.117 15.212 1.00 0.00 C ATOM 202 O THR A 17 10.336 2.731 15.773 1.00 0.00 O ATOM 203 CB THR A 17 8.421 -0.032 16.161 1.00 0.00 C ATOM 204 OG1 THR A 17 9.703 -0.226 16.752 1.00 0.00 O ATOM 205 CG2 THR A 17 8.523 -0.734 14.806 1.00 0.00 C ATOM 0 H THR A 17 6.943 1.541 14.429 1.00 0.00 H new ATOM 0 HA THR A 17 8.375 1.923 17.021 1.00 0.00 H new ATOM 0 HB THR A 17 7.559 -0.419 16.705 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.864 -1.185 16.877 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.608 -1.810 14.959 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.631 -0.520 14.217 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.403 -0.373 14.274 1.00 0.00 H new ATOM 213 N SER A 18 9.342 1.943 13.901 1.00 0.00 N ATOM 214 CA SER A 18 10.348 2.486 13.005 1.00 0.00 C ATOM 215 C SER A 18 9.674 3.253 11.865 1.00 0.00 C ATOM 216 O SER A 18 8.447 3.291 11.777 1.00 0.00 O ATOM 217 CB SER A 18 11.242 1.380 12.443 1.00 0.00 C ATOM 218 OG SER A 18 12.578 1.831 12.228 1.00 0.00 O ATOM 0 H SER A 18 8.589 1.433 13.438 1.00 0.00 H new ATOM 0 HA SER A 18 10.978 3.170 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.251 0.536 13.132 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.825 1.020 11.503 1.00 0.00 H new ATOM 0 HG SER A 18 13.118 1.096 11.870 1.00 0.00 H new ATOM 223 N GLN A 19 10.505 3.846 11.021 1.00 0.00 N ATOM 224 CA GLN A 19 10.004 4.609 9.889 1.00 0.00 C ATOM 225 C GLN A 19 9.268 3.691 8.914 1.00 0.00 C ATOM 226 O GLN A 19 9.759 2.612 8.579 1.00 0.00 O ATOM 227 CB GLN A 19 11.139 5.359 9.188 1.00 0.00 C ATOM 228 CG GLN A 19 11.098 6.851 9.522 1.00 0.00 C ATOM 229 CD GLN A 19 10.571 7.663 8.338 1.00 0.00 C ATOM 230 OE1 GLN A 19 11.142 7.681 7.261 1.00 0.00 O ATOM 231 NE2 GLN A 19 9.453 8.335 8.598 1.00 0.00 N ATOM 0 H GLN A 19 11.522 3.814 11.098 1.00 0.00 H new ATOM 0 HA GLN A 19 9.298 5.351 10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.098 4.941 9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.059 5.222 8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.462 7.015 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.097 7.195 9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.026 8.276 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.023 8.909 7.873 1.00 0.00 H new ATOM 238 N GLY A 20 8.102 4.150 8.482 1.00 0.00 N ATOM 239 CA GLY A 20 7.294 3.382 7.550 1.00 0.00 C ATOM 240 C GLY A 20 6.994 1.988 8.103 1.00 0.00 C ATOM 241 O GLY A 20 6.779 1.046 7.342 1.00 0.00 O ATOM 0 H GLY A 20 7.698 5.044 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.360 3.908 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.816 3.294 6.597 1.00 0.00 H new ATOM 245 N PHE A 21 6.992 1.899 9.425 1.00 0.00 N ATOM 246 CA PHE A 21 6.723 0.634 10.089 1.00 0.00 C ATOM 247 C PHE A 21 7.632 -0.472 9.552 1.00 0.00 C ATOM 248 O PHE A 21 8.378 -0.258 8.597 1.00 0.00 O ATOM 249 CB PHE A 21 5.267 0.272 9.789 1.00 0.00 C ATOM 250 CG PHE A 21 4.258 0.901 10.750 1.00 0.00 C ATOM 251 CD1 PHE A 21 4.058 0.354 11.980 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.559 2.007 10.378 1.00 0.00 C ATOM 253 CE1 PHE A 21 3.122 0.937 12.874 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.622 2.590 11.271 1.00 0.00 C ATOM 255 CZ PHE A 21 2.422 2.043 12.500 1.00 0.00 C ATOM 0 H PHE A 21 7.172 2.681 10.054 1.00 0.00 H new ATOM 0 HA PHE A 21 6.906 0.730 11.159 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.028 0.584 8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.159 -0.812 9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.612 -0.525 12.276 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.717 2.442 9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.965 0.503 13.851 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.068 3.468 10.974 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.708 2.486 13.179 1.00 0.00 H new ATOM 264 N GLY A 22 7.543 -1.630 10.189 1.00 0.00 N ATOM 265 CA GLY A 22 8.349 -2.770 9.787 1.00 0.00 C ATOM 266 C GLY A 22 8.141 -3.093 8.307 1.00 0.00 C ATOM 267 O GLY A 22 8.971 -2.745 7.469 1.00 0.00 O ATOM 0 H GLY A 22 6.925 -1.803 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.402 -2.559 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.086 -3.637 10.393 1.00 0.00 H new ATOM 271 N PHE A 23 7.027 -3.757 8.030 1.00 0.00 N ATOM 272 CA PHE A 23 6.700 -4.132 6.664 1.00 0.00 C ATOM 273 C PHE A 23 6.734 -2.914 5.739 1.00 0.00 C ATOM 274 O PHE A 23 6.974 -1.795 6.188 1.00 0.00 O ATOM 275 CB PHE A 23 5.280 -4.703 6.686 1.00 0.00 C ATOM 276 CG PHE A 23 4.182 -3.638 6.665 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.129 -2.696 7.644 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.259 -3.634 5.667 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.109 -1.708 7.625 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.238 -2.646 5.647 1.00 0.00 C ATOM 281 CZ PHE A 23 2.185 -1.703 6.626 1.00 0.00 C ATOM 0 H PHE A 23 6.341 -4.044 8.728 1.00 0.00 H new ATOM 0 HA PHE A 23 7.424 -4.857 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.150 -5.361 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.160 -5.317 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.863 -2.699 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.302 -4.382 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.067 -0.961 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.504 -2.644 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.410 -0.951 6.610 1.00 0.00 H new ATOM 290 N THR A 24 6.488 -3.175 4.462 1.00 0.00 N ATOM 291 CA THR A 24 6.489 -2.114 3.470 1.00 0.00 C ATOM 292 C THR A 24 5.672 -2.530 2.245 1.00 0.00 C ATOM 293 O THR A 24 5.506 -3.720 1.981 1.00 0.00 O ATOM 294 CB THR A 24 7.943 -1.773 3.142 1.00 0.00 C ATOM 295 OG1 THR A 24 7.846 -0.751 2.152 1.00 0.00 O ATOM 296 CG2 THR A 24 8.667 -2.916 2.429 1.00 0.00 C ATOM 0 H THR A 24 6.287 -4.105 4.093 1.00 0.00 H new ATOM 0 HA THR A 24 6.008 -1.214 3.854 1.00 0.00 H new ATOM 0 HB THR A 24 8.473 -1.526 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.745 -0.470 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.695 -2.621 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.666 -3.801 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.157 -3.142 1.493 1.00 0.00 H new ATOM 304 N LEU A 25 5.183 -1.527 1.530 1.00 0.00 N ATOM 305 CA LEU A 25 4.387 -1.775 0.340 1.00 0.00 C ATOM 306 C LEU A 25 5.155 -1.288 -0.892 1.00 0.00 C ATOM 307 O LEU A 25 6.176 -0.613 -0.765 1.00 0.00 O ATOM 308 CB LEU A 25 2.998 -1.152 0.484 1.00 0.00 C ATOM 309 CG LEU A 25 2.294 -1.386 1.823 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.513 -2.819 2.313 1.00 0.00 C ATOM 311 CD2 LEU A 25 2.733 -0.351 2.861 1.00 0.00 C ATOM 0 H LEU A 25 5.323 -0.541 1.752 1.00 0.00 H new ATOM 0 HA LEU A 25 4.219 -2.844 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.085 -0.077 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.362 -1.542 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 25 1.222 -1.257 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.003 -2.960 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.112 -3.519 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.580 -3.000 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.218 -0.540 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.810 -0.424 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.484 0.649 2.506 1.00 0.00 H new ATOM 322 N ARG A 26 4.634 -1.647 -2.056 1.00 0.00 N ATOM 323 CA ARG A 26 5.257 -1.255 -3.308 1.00 0.00 C ATOM 324 C ARG A 26 4.193 -1.043 -4.387 1.00 0.00 C ATOM 325 O ARG A 26 3.474 -1.973 -4.746 1.00 0.00 O ATOM 326 CB ARG A 26 6.250 -2.317 -3.785 1.00 0.00 C ATOM 327 CG ARG A 26 6.911 -1.898 -5.099 1.00 0.00 C ATOM 328 CD ARG A 26 8.201 -2.686 -5.341 1.00 0.00 C ATOM 329 NE ARG A 26 9.356 -1.762 -5.389 1.00 0.00 N ATOM 330 CZ ARG A 26 10.596 -2.130 -5.739 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.850 -3.402 -6.074 1.00 0.00 N ATOM 332 NH2 ARG A 26 11.584 -1.224 -5.753 1.00 0.00 N ATOM 0 H ARG A 26 3.787 -2.206 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 26 5.794 -0.323 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.014 -2.474 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.734 -3.268 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.220 -2.062 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.132 -0.831 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.344 -3.419 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.129 -3.240 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 26 9.199 -0.785 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.099 -4.092 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.794 -3.680 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.392 -0.256 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.528 -1.503 -6.019 1.00 0.00 H new ATOM 343 N HIS A 27 4.126 0.189 -4.871 1.00 0.00 N ATOM 344 CA HIS A 27 3.161 0.537 -5.900 1.00 0.00 C ATOM 345 C HIS A 27 3.321 2.010 -6.278 1.00 0.00 C ATOM 346 O HIS A 27 2.409 2.810 -6.078 1.00 0.00 O ATOM 347 CB HIS A 27 1.739 0.191 -5.453 1.00 0.00 C ATOM 348 CG HIS A 27 0.664 0.670 -6.397 1.00 0.00 C ATOM 349 ND1 HIS A 27 0.944 1.207 -7.642 1.00 0.00 N ATOM 350 CD2 HIS A 27 -0.693 0.688 -6.267 1.00 0.00 C ATOM 351 CE1 HIS A 27 -0.201 1.531 -8.225 1.00 0.00 C ATOM 352 NE2 HIS A 27 -1.215 1.208 -7.372 1.00 0.00 N ATOM 0 H HIS A 27 4.724 0.958 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 27 3.352 -0.055 -6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.657 -0.890 -5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.563 0.625 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.250 0.338 -5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.312 1.973 -9.204 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.210 1.343 -7.553 1.00 0.00 H new ATOM 359 N PHE A 28 4.490 2.326 -6.819 1.00 0.00 N ATOM 360 CA PHE A 28 4.782 3.688 -7.227 1.00 0.00 C ATOM 361 C PHE A 28 4.517 3.882 -8.722 1.00 0.00 C ATOM 362 O PHE A 28 4.628 4.995 -9.236 1.00 0.00 O ATOM 363 CB PHE A 28 6.267 3.930 -6.948 1.00 0.00 C ATOM 364 CG PHE A 28 6.759 5.319 -7.361 1.00 0.00 C ATOM 365 CD1 PHE A 28 5.882 6.353 -7.451 1.00 0.00 C ATOM 366 CD2 PHE A 28 8.076 5.518 -7.638 1.00 0.00 C ATOM 367 CE1 PHE A 28 6.339 7.642 -7.835 1.00 0.00 C ATOM 368 CE2 PHE A 28 8.535 6.807 -8.021 1.00 0.00 C ATOM 369 CZ PHE A 28 7.656 7.841 -8.112 1.00 0.00 C ATOM 0 H PHE A 28 5.245 1.661 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 28 4.147 4.384 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.453 3.791 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.853 3.177 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.837 6.195 -7.230 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.773 4.696 -7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.641 8.463 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.581 6.966 -8.240 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.004 8.821 -8.404 1.00 0.00 H new ATOM 378 N ILE A 29 4.173 2.784 -9.376 1.00 0.00 N ATOM 379 CA ILE A 29 3.893 2.819 -10.801 1.00 0.00 C ATOM 380 C ILE A 29 2.995 4.019 -11.111 1.00 0.00 C ATOM 381 O ILE A 29 3.471 5.050 -11.581 1.00 0.00 O ATOM 382 CB ILE A 29 3.313 1.482 -11.267 1.00 0.00 C ATOM 383 CG1 ILE A 29 4.316 0.345 -11.053 1.00 0.00 C ATOM 384 CG2 ILE A 29 2.842 1.564 -12.719 1.00 0.00 C ATOM 385 CD1 ILE A 29 3.765 -0.979 -11.586 1.00 0.00 C ATOM 0 H ILE A 29 4.082 1.864 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 29 4.815 2.955 -11.366 1.00 0.00 H new ATOM 0 HB ILE A 29 2.437 1.259 -10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.253 0.582 -11.557 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.541 0.248 -9.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.434 0.600 -13.024 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.071 2.329 -12.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.685 1.821 -13.361 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.497 -1.770 -11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.841 -1.225 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.564 -0.886 -12.653 1.00 0.00 H new ATOM 396 N VAL A 30 1.711 3.844 -10.833 1.00 0.00 N ATOM 397 CA VAL A 30 0.743 4.899 -11.075 1.00 0.00 C ATOM 398 C VAL A 30 0.900 5.412 -12.507 1.00 0.00 C ATOM 399 O VAL A 30 1.780 4.959 -13.239 1.00 0.00 O ATOM 400 CB VAL A 30 0.898 6.003 -10.025 1.00 0.00 C ATOM 401 CG1 VAL A 30 2.141 6.850 -10.300 1.00 0.00 C ATOM 402 CG2 VAL A 30 -0.358 6.876 -9.959 1.00 0.00 C ATOM 0 H VAL A 30 1.319 2.987 -10.442 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.272 4.514 -10.977 1.00 0.00 H new ATOM 0 HB VAL A 30 1.026 5.526 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.228 7.627 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.027 6.216 -10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.056 7.313 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.222 7.652 -9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.531 7.339 -10.930 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.216 6.259 -9.694 1.00 0.00 H new ATOM 412 N TYR A 31 0.034 6.348 -12.866 1.00 0.00 N ATOM 413 CA TYR A 31 0.066 6.926 -14.200 1.00 0.00 C ATOM 414 C TYR A 31 -0.608 8.299 -14.218 1.00 0.00 C ATOM 415 O TYR A 31 -1.778 8.416 -14.581 1.00 0.00 O ATOM 416 CB TYR A 31 -0.727 5.970 -15.093 1.00 0.00 C ATOM 417 CG TYR A 31 0.022 4.684 -15.447 1.00 0.00 C ATOM 418 CD1 TYR A 31 0.024 3.621 -14.567 1.00 0.00 C ATOM 419 CD2 TYR A 31 0.699 4.587 -16.647 1.00 0.00 C ATOM 420 CE1 TYR A 31 0.730 2.410 -14.900 1.00 0.00 C ATOM 421 CE2 TYR A 31 1.403 3.376 -16.980 1.00 0.00 C ATOM 422 CZ TYR A 31 1.383 2.349 -16.090 1.00 0.00 C ATOM 423 OH TYR A 31 2.050 1.205 -16.407 1.00 0.00 O ATOM 0 H TYR A 31 -0.694 6.721 -12.257 1.00 0.00 H new ATOM 0 HA TYR A 31 1.094 7.057 -14.537 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.659 5.709 -14.591 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.995 6.488 -16.014 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.504 3.697 -13.628 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.700 5.419 -17.335 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.740 1.571 -14.220 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.935 3.286 -17.916 1.00 0.00 H new ATOM 0 HH TYR A 31 2.469 1.304 -17.287 1.00 0.00 H new ATOM 432 N PRO A 32 0.178 9.331 -13.810 1.00 0.00 N ATOM 433 CA PRO A 32 -0.330 10.691 -13.776 1.00 0.00 C ATOM 434 C PRO A 32 -0.427 11.277 -15.187 1.00 0.00 C ATOM 435 O PRO A 32 0.149 10.733 -16.128 1.00 0.00 O ATOM 436 CB PRO A 32 0.637 11.450 -12.884 1.00 0.00 C ATOM 437 CG PRO A 32 1.902 10.610 -12.827 1.00 0.00 C ATOM 438 CD PRO A 32 1.568 9.231 -13.373 1.00 0.00 C ATOM 0 HA PRO A 32 -1.345 10.750 -13.383 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.845 12.441 -13.288 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.218 11.593 -11.888 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.695 11.072 -13.415 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.267 10.537 -11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.225 8.963 -14.201 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.688 8.463 -12.609 1.00 0.00 H new ATOM 443 N PRO A 33 -1.178 12.405 -15.291 1.00 0.00 N ATOM 444 CA PRO A 33 -1.356 13.070 -16.571 1.00 0.00 C ATOM 445 C PRO A 33 -0.092 13.831 -16.975 1.00 0.00 C ATOM 446 O PRO A 33 0.974 13.624 -16.396 1.00 0.00 O ATOM 447 CB PRO A 33 -2.561 13.977 -16.379 1.00 0.00 C ATOM 448 CG PRO A 33 -2.725 14.137 -14.876 1.00 0.00 C ATOM 449 CD PRO A 33 -1.874 13.077 -14.198 1.00 0.00 C ATOM 0 HA PRO A 33 -1.528 12.370 -17.388 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.404 14.942 -16.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.454 13.540 -16.825 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.415 15.134 -14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.771 14.025 -14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.170 13.524 -13.496 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.489 12.378 -13.631 1.00 0.00 H new ATOM 454 N GLU A 34 -0.254 14.698 -17.965 1.00 0.00 N ATOM 455 CA GLU A 34 0.862 15.492 -18.452 1.00 0.00 C ATOM 456 C GLU A 34 1.332 16.467 -17.371 1.00 0.00 C ATOM 457 O GLU A 34 2.335 16.222 -16.701 1.00 0.00 O ATOM 458 CB GLU A 34 0.485 16.237 -19.735 1.00 0.00 C ATOM 459 CG GLU A 34 1.474 15.924 -20.859 1.00 0.00 C ATOM 460 CD GLU A 34 0.760 15.846 -22.211 1.00 0.00 C ATOM 461 OE1 GLU A 34 0.141 16.866 -22.586 1.00 0.00 O ATOM 462 OE2 GLU A 34 0.849 14.768 -22.839 1.00 0.00 O ATOM 0 H GLU A 34 -1.139 14.868 -18.442 1.00 0.00 H new ATOM 0 HA GLU A 34 1.686 14.819 -18.689 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.522 15.954 -20.042 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.471 17.310 -19.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.245 16.694 -20.895 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.976 14.979 -20.654 1.00 0.00 H new ATOM 467 N SER A 35 0.587 17.553 -17.232 1.00 0.00 N ATOM 468 CA SER A 35 0.915 18.566 -16.243 1.00 0.00 C ATOM 469 C SER A 35 -0.212 18.677 -15.215 1.00 0.00 C ATOM 470 O SER A 35 0.020 18.525 -14.016 1.00 0.00 O ATOM 471 CB SER A 35 1.164 19.922 -16.906 1.00 0.00 C ATOM 472 OG SER A 35 1.647 20.888 -15.978 1.00 0.00 O ATOM 0 H SER A 35 -0.244 17.754 -17.788 1.00 0.00 H new ATOM 0 HA SER A 35 1.832 18.266 -15.736 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.885 19.803 -17.714 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.238 20.282 -17.355 1.00 0.00 H new ATOM 0 HG SER A 35 1.795 21.740 -16.440 1.00 0.00 H new ATOM 477 N ALA A 36 -1.409 18.941 -15.719 1.00 0.00 N ATOM 478 CA ALA A 36 -2.571 19.074 -14.860 1.00 0.00 C ATOM 479 C ALA A 36 -2.352 20.238 -13.890 1.00 0.00 C ATOM 480 O ALA A 36 -1.238 20.743 -13.763 1.00 0.00 O ATOM 481 CB ALA A 36 -2.825 17.752 -14.134 1.00 0.00 C ATOM 0 H ALA A 36 -1.598 19.066 -16.713 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.460 19.298 -15.450 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.698 17.853 -13.489 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.003 16.964 -14.865 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.955 17.496 -13.529 1.00 0.00 H new ATOM 487 N ILE A 37 -3.433 20.629 -13.231 1.00 0.00 N ATOM 488 CA ILE A 37 -3.373 21.723 -12.277 1.00 0.00 C ATOM 489 C ILE A 37 -3.646 21.184 -10.872 1.00 0.00 C ATOM 490 O ILE A 37 -4.626 20.474 -10.655 1.00 0.00 O ATOM 491 CB ILE A 37 -4.318 22.851 -12.697 1.00 0.00 C ATOM 492 CG1 ILE A 37 -4.007 23.326 -14.118 1.00 0.00 C ATOM 493 CG2 ILE A 37 -4.281 24.001 -11.687 1.00 0.00 C ATOM 494 CD1 ILE A 37 -5.097 24.270 -14.631 1.00 0.00 C ATOM 0 H ILE A 37 -4.356 20.208 -13.339 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.375 22.162 -12.262 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.336 22.460 -12.704 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.043 23.835 -14.132 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.923 22.466 -14.783 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.961 24.790 -12.009 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.587 23.635 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.268 24.398 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.852 24.593 -15.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.055 23.750 -14.638 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.162 25.140 -13.978 1.00 0.00 H new ATOM 505 N GLN A 38 -2.761 21.543 -9.954 1.00 0.00 N ATOM 506 CA GLN A 38 -2.893 21.104 -8.574 1.00 0.00 C ATOM 507 C GLN A 38 -3.891 21.992 -7.828 1.00 0.00 C ATOM 508 O GLN A 38 -4.132 23.131 -8.225 1.00 0.00 O ATOM 509 CB GLN A 38 -1.536 21.092 -7.870 1.00 0.00 C ATOM 510 CG GLN A 38 -1.430 19.913 -6.902 1.00 0.00 C ATOM 511 CD GLN A 38 -0.730 18.723 -7.560 1.00 0.00 C ATOM 512 OE1 GLN A 38 -1.343 17.737 -7.932 1.00 0.00 O ATOM 513 NE2 GLN A 38 0.587 18.871 -7.683 1.00 0.00 N ATOM 0 H GLN A 38 -1.949 22.133 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.274 20.083 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.739 21.031 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.396 22.027 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.878 20.217 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.426 19.617 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.038 19.723 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.146 18.132 -8.110 1.00 0.00 H new ATOM 520 N PHE A 39 -4.443 21.438 -6.759 1.00 0.00 N ATOM 521 CA PHE A 39 -5.409 22.166 -5.954 1.00 0.00 C ATOM 522 C PHE A 39 -5.475 21.601 -4.533 1.00 0.00 C ATOM 523 O PHE A 39 -5.307 22.335 -3.560 1.00 0.00 O ATOM 524 CB PHE A 39 -6.773 21.991 -6.624 1.00 0.00 C ATOM 525 CG PHE A 39 -6.978 22.871 -7.859 1.00 0.00 C ATOM 526 CD1 PHE A 39 -7.086 24.219 -7.723 1.00 0.00 C ATOM 527 CD2 PHE A 39 -7.051 22.304 -9.093 1.00 0.00 C ATOM 528 CE1 PHE A 39 -7.276 25.036 -8.868 1.00 0.00 C ATOM 529 CE2 PHE A 39 -7.240 23.121 -10.239 1.00 0.00 C ATOM 530 CZ PHE A 39 -7.348 24.470 -10.102 1.00 0.00 C ATOM 0 H PHE A 39 -4.240 20.494 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.121 23.215 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.894 20.946 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.554 22.215 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.027 24.669 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.965 21.233 -9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.363 26.107 -8.759 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.298 22.671 -11.219 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.491 25.092 -10.974 1.00 0.00 H new ATOM 539 N SER A 40 -5.722 20.301 -4.459 1.00 0.00 N ATOM 540 CA SER A 40 -5.813 19.629 -3.174 1.00 0.00 C ATOM 541 C SER A 40 -4.548 19.894 -2.355 1.00 0.00 C ATOM 542 O SER A 40 -3.482 20.147 -2.915 1.00 0.00 O ATOM 543 CB SER A 40 -6.024 18.124 -3.353 1.00 0.00 C ATOM 544 OG SER A 40 -5.891 17.417 -2.124 1.00 0.00 O ATOM 0 H SER A 40 -5.862 19.696 -5.268 1.00 0.00 H new ATOM 0 HA SER A 40 -6.675 20.028 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.015 17.944 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.301 17.740 -4.073 1.00 0.00 H new ATOM 0 HG SER A 40 -6.034 16.460 -2.280 1.00 0.00 H new ATOM 549 N TYR A 41 -4.706 19.825 -1.041 1.00 0.00 N ATOM 550 CA TYR A 41 -3.591 20.053 -0.139 1.00 0.00 C ATOM 551 C TYR A 41 -3.991 19.771 1.310 1.00 0.00 C ATOM 552 O TYR A 41 -3.330 18.998 2.002 1.00 0.00 O ATOM 553 CB TYR A 41 -3.233 21.534 -0.278 1.00 0.00 C ATOM 554 CG TYR A 41 -2.313 22.059 0.827 1.00 0.00 C ATOM 555 CD1 TYR A 41 -1.033 21.561 0.952 1.00 0.00 C ATOM 556 CD2 TYR A 41 -2.764 23.029 1.697 1.00 0.00 C ATOM 557 CE1 TYR A 41 -0.166 22.054 1.992 1.00 0.00 C ATOM 558 CE2 TYR A 41 -1.899 23.524 2.737 1.00 0.00 C ATOM 559 CZ TYR A 41 -0.643 23.011 2.833 1.00 0.00 C ATOM 560 OH TYR A 41 0.174 23.477 3.814 1.00 0.00 O ATOM 0 H TYR A 41 -5.591 19.614 -0.580 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.757 19.396 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.751 21.692 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.152 22.121 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.680 20.801 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.767 23.418 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.839 21.673 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.240 24.284 3.424 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.299 24.158 4.337 1.00 0.00 H new ATOM 569 N LYS A 42 -5.071 20.414 1.729 1.00 0.00 N ATOM 570 CA LYS A 42 -5.566 20.244 3.083 1.00 0.00 C ATOM 571 C LYS A 42 -6.160 18.842 3.231 1.00 0.00 C ATOM 572 O LYS A 42 -6.376 18.147 2.238 1.00 0.00 O ATOM 573 CB LYS A 42 -6.544 21.365 3.442 1.00 0.00 C ATOM 574 CG LYS A 42 -6.367 21.800 4.900 1.00 0.00 C ATOM 575 CD LYS A 42 -6.275 23.324 5.008 1.00 0.00 C ATOM 576 CE LYS A 42 -6.890 23.818 6.320 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.002 24.757 6.051 1.00 0.00 N ATOM 0 H LYS A 42 -5.617 21.054 1.153 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.748 20.324 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.384 22.218 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.567 21.025 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.206 21.439 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.465 21.347 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.232 23.634 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.790 23.784 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.255 22.970 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.127 24.311 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.407 25.082 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.644 25.575 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.737 24.275 5.495 1.00 0.00 H new ATOM 587 N ASP A 43 -6.408 18.466 4.477 1.00 0.00 N ATOM 588 CA ASP A 43 -6.972 17.158 4.768 1.00 0.00 C ATOM 589 C ASP A 43 -8.439 17.321 5.171 1.00 0.00 C ATOM 590 O ASP A 43 -8.738 17.818 6.255 1.00 0.00 O ATOM 591 CB ASP A 43 -6.234 16.485 5.926 1.00 0.00 C ATOM 592 CG ASP A 43 -6.944 15.271 6.525 1.00 0.00 C ATOM 593 OD1 ASP A 43 -7.241 14.342 5.742 1.00 0.00 O ATOM 594 OD2 ASP A 43 -7.175 15.296 7.753 1.00 0.00 O ATOM 0 H ASP A 43 -6.229 19.045 5.298 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.876 16.541 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.248 16.176 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.077 17.221 6.714 1.00 0.00 H new ATOM 598 N GLU A 44 -9.316 16.889 4.276 1.00 0.00 N ATOM 599 CA GLU A 44 -10.745 16.979 4.525 1.00 0.00 C ATOM 600 C GLU A 44 -11.345 15.580 4.681 1.00 0.00 C ATOM 601 O GLU A 44 -10.879 14.628 4.059 1.00 0.00 O ATOM 602 CB GLU A 44 -11.448 17.757 3.411 1.00 0.00 C ATOM 603 CG GLU A 44 -12.963 17.557 3.474 1.00 0.00 C ATOM 604 CD GLU A 44 -13.555 18.236 4.712 1.00 0.00 C ATOM 605 OE1 GLU A 44 -13.068 19.339 5.041 1.00 0.00 O ATOM 606 OE2 GLU A 44 -14.481 17.636 5.301 1.00 0.00 O ATOM 0 H GLU A 44 -9.065 16.476 3.378 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.899 17.525 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.214 18.818 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.074 17.428 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.425 17.965 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.192 16.492 3.495 1.00 0.00 H new ATOM 611 N GLU A 45 -12.372 15.502 5.514 1.00 0.00 N ATOM 612 CA GLU A 45 -13.042 14.236 5.760 1.00 0.00 C ATOM 613 C GLU A 45 -14.559 14.414 5.684 1.00 0.00 C ATOM 614 O GLU A 45 -15.197 14.769 6.674 1.00 0.00 O ATOM 615 CB GLU A 45 -12.626 13.648 7.110 1.00 0.00 C ATOM 616 CG GLU A 45 -12.168 12.197 6.959 1.00 0.00 C ATOM 617 CD GLU A 45 -13.299 11.225 7.302 1.00 0.00 C ATOM 618 OE1 GLU A 45 -14.307 11.241 6.561 1.00 0.00 O ATOM 619 OE2 GLU A 45 -13.133 10.490 8.298 1.00 0.00 O ATOM 0 H GLU A 45 -12.757 16.295 6.027 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.739 13.531 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.820 14.245 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.463 13.698 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.832 12.023 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.315 12.012 7.611 1.00 0.00 H new ATOM 624 N ASN A 46 -15.093 14.162 4.498 1.00 0.00 N ATOM 625 CA ASN A 46 -16.525 14.289 4.279 1.00 0.00 C ATOM 626 C ASN A 46 -16.947 13.367 3.134 1.00 0.00 C ATOM 627 O ASN A 46 -16.110 12.927 2.347 1.00 0.00 O ATOM 628 CB ASN A 46 -16.897 15.722 3.893 1.00 0.00 C ATOM 629 CG ASN A 46 -18.298 16.079 4.393 1.00 0.00 C ATOM 630 OD1 ASN A 46 -18.562 16.154 5.581 1.00 0.00 O ATOM 631 ND2 ASN A 46 -19.180 16.294 3.421 1.00 0.00 N ATOM 0 H ASN A 46 -14.560 13.871 3.678 1.00 0.00 H new ATOM 0 HA ASN A 46 -17.032 14.020 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.169 16.416 4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.855 15.833 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.143 16.538 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.893 16.215 2.445 1.00 0.00 H new ATOM 637 N GLY A 47 -18.243 13.099 3.079 1.00 0.00 N ATOM 638 CA GLY A 47 -18.786 12.237 2.043 1.00 0.00 C ATOM 639 C GLY A 47 -18.799 12.947 0.688 1.00 0.00 C ATOM 640 O GLY A 47 -19.824 13.487 0.276 1.00 0.00 O ATOM 0 H GLY A 47 -18.933 13.464 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.191 11.326 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.799 11.936 2.310 1.00 0.00 H new ATOM 644 N ASN A 48 -17.648 12.924 0.034 1.00 0.00 N ATOM 645 CA ASN A 48 -17.514 13.561 -1.267 1.00 0.00 C ATOM 646 C ASN A 48 -17.731 12.517 -2.365 1.00 0.00 C ATOM 647 O ASN A 48 -18.587 12.691 -3.231 1.00 0.00 O ATOM 648 CB ASN A 48 -16.115 14.154 -1.449 1.00 0.00 C ATOM 649 CG ASN A 48 -15.904 15.353 -0.522 1.00 0.00 C ATOM 650 OD1 ASN A 48 -15.598 15.218 0.651 1.00 0.00 O ATOM 651 ND2 ASN A 48 -16.085 16.531 -1.113 1.00 0.00 N ATOM 0 H ASN A 48 -16.800 12.475 0.379 1.00 0.00 H new ATOM 0 HA ASN A 48 -18.255 14.358 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.363 13.392 -1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.979 14.462 -2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.968 17.393 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.341 16.573 -2.100 1.00 0.00 H new ATOM 657 N ARG A 49 -16.941 11.457 -2.294 1.00 0.00 N ATOM 658 CA ARG A 49 -17.035 10.385 -3.271 1.00 0.00 C ATOM 659 C ARG A 49 -16.735 10.918 -4.673 1.00 0.00 C ATOM 660 O ARG A 49 -17.047 12.067 -4.985 1.00 0.00 O ATOM 661 CB ARG A 49 -18.428 9.751 -3.260 1.00 0.00 C ATOM 662 CG ARG A 49 -18.382 8.339 -2.674 1.00 0.00 C ATOM 663 CD ARG A 49 -19.689 7.590 -2.948 1.00 0.00 C ATOM 664 NE ARG A 49 -20.156 6.919 -1.714 1.00 0.00 N ATOM 665 CZ ARG A 49 -20.588 7.567 -0.624 1.00 0.00 C ATOM 666 NH1 ARG A 49 -20.616 8.907 -0.608 1.00 0.00 N ATOM 667 NH2 ARG A 49 -20.993 6.876 0.450 1.00 0.00 N ATOM 0 H ARG A 49 -16.232 11.317 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.301 9.625 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.109 10.370 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.823 9.715 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.546 7.789 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.207 8.393 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.449 8.286 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.537 6.854 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.148 5.899 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.308 9.433 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.945 9.400 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -20.972 5.856 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.322 7.370 1.280 1.00 0.00 H new ATOM 678 N GLY A 50 -16.134 10.059 -5.482 1.00 0.00 N ATOM 679 CA GLY A 50 -15.788 10.429 -6.844 1.00 0.00 C ATOM 680 C GLY A 50 -17.034 10.474 -7.732 1.00 0.00 C ATOM 681 O GLY A 50 -18.114 10.059 -7.315 1.00 0.00 O ATOM 0 H GLY A 50 -15.877 9.107 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.299 11.403 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.074 9.712 -7.249 1.00 0.00 H new ATOM 685 N GLY A 51 -16.842 10.983 -8.940 1.00 0.00 N ATOM 686 CA GLY A 51 -17.936 11.091 -9.890 1.00 0.00 C ATOM 687 C GLY A 51 -17.785 10.067 -11.016 1.00 0.00 C ATOM 688 O GLY A 51 -17.213 8.996 -10.815 1.00 0.00 O ATOM 0 H GLY A 51 -15.944 11.325 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.885 10.936 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.961 12.097 -10.309 1.00 0.00 H new ATOM 692 N LYS A 52 -18.307 10.432 -12.178 1.00 0.00 N ATOM 693 CA LYS A 52 -18.238 9.558 -13.338 1.00 0.00 C ATOM 694 C LYS A 52 -16.822 8.990 -13.458 1.00 0.00 C ATOM 695 O LYS A 52 -16.645 7.787 -13.641 1.00 0.00 O ATOM 696 CB LYS A 52 -18.715 10.292 -14.591 1.00 0.00 C ATOM 697 CG LYS A 52 -19.411 9.333 -15.558 1.00 0.00 C ATOM 698 CD LYS A 52 -19.603 9.980 -16.931 1.00 0.00 C ATOM 699 CE LYS A 52 -19.017 9.102 -18.039 1.00 0.00 C ATOM 700 NZ LYS A 52 -18.618 9.930 -19.199 1.00 0.00 N ATOM 0 H LYS A 52 -18.780 11.321 -12.341 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.913 8.711 -13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.401 11.091 -14.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.865 10.761 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.820 8.423 -15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.379 9.041 -15.152 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.665 10.143 -17.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.123 10.959 -16.946 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.153 8.556 -17.660 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.752 8.360 -18.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.222 9.319 -19.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.450 10.432 -19.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.901 10.622 -18.901 1.00 0.00 H new ATOM 710 N GLN A 53 -15.850 9.883 -13.351 1.00 0.00 N ATOM 711 CA GLN A 53 -14.454 9.487 -13.446 1.00 0.00 C ATOM 712 C GLN A 53 -14.207 8.725 -14.749 1.00 0.00 C ATOM 713 O GLN A 53 -15.150 8.381 -15.461 1.00 0.00 O ATOM 714 CB GLN A 53 -14.038 8.652 -12.235 1.00 0.00 C ATOM 715 CG GLN A 53 -13.584 9.546 -11.081 1.00 0.00 C ATOM 716 CD GLN A 53 -12.190 9.145 -10.591 1.00 0.00 C ATOM 717 OE1 GLN A 53 -11.219 9.155 -11.327 1.00 0.00 O ATOM 718 NE2 GLN A 53 -12.149 8.793 -9.308 1.00 0.00 N ATOM 0 H GLN A 53 -16.001 10.880 -13.199 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.840 10.388 -13.453 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.874 8.032 -11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.230 7.976 -12.515 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.574 10.587 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.297 9.475 -10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.001 8.807 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.265 8.509 -8.885 1.00 0.00 H new ATOM 725 N ARG A 54 -12.934 8.482 -15.024 1.00 0.00 N ATOM 726 CA ARG A 54 -12.552 7.766 -16.228 1.00 0.00 C ATOM 727 C ARG A 54 -11.921 6.419 -15.869 1.00 0.00 C ATOM 728 O ARG A 54 -12.468 5.366 -16.195 1.00 0.00 O ATOM 729 CB ARG A 54 -11.557 8.579 -17.061 1.00 0.00 C ATOM 730 CG ARG A 54 -12.039 8.722 -18.505 1.00 0.00 C ATOM 731 CD ARG A 54 -11.067 9.574 -19.325 1.00 0.00 C ATOM 732 NE ARG A 54 -11.700 9.975 -20.602 1.00 0.00 N ATOM 733 CZ ARG A 54 -12.509 11.035 -20.737 1.00 0.00 C ATOM 734 NH1 ARG A 54 -12.788 11.806 -19.678 1.00 0.00 N ATOM 735 NH2 ARG A 54 -13.038 11.324 -21.936 1.00 0.00 N ATOM 0 H ARG A 54 -12.154 8.769 -14.433 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.455 7.603 -16.816 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.428 9.566 -16.618 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.582 8.092 -17.046 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.136 7.736 -18.959 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.029 9.178 -18.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.779 10.459 -18.758 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.155 9.011 -19.523 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.509 9.410 -21.429 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.385 11.587 -18.767 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.404 12.612 -19.782 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.824 10.737 -22.743 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.654 12.130 -22.041 1.00 0.00 H new ATOM 746 N ASN A 55 -10.779 6.495 -15.199 1.00 0.00 N ATOM 747 CA ASN A 55 -10.069 5.295 -14.791 1.00 0.00 C ATOM 748 C ASN A 55 -9.572 4.555 -16.034 1.00 0.00 C ATOM 749 O ASN A 55 -10.364 4.176 -16.895 1.00 0.00 O ATOM 750 CB ASN A 55 -10.988 4.349 -14.015 1.00 0.00 C ATOM 751 CG ASN A 55 -10.211 3.597 -12.933 1.00 0.00 C ATOM 752 OD1 ASN A 55 -9.001 3.698 -12.817 1.00 0.00 O ATOM 753 ND2 ASN A 55 -10.973 2.841 -12.148 1.00 0.00 N ATOM 0 H ASN A 55 -10.329 7.369 -14.929 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.238 5.595 -14.153 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.798 4.917 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.446 3.636 -14.701 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.550 2.300 -11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.981 2.802 -12.300 1.00 0.00 H new ATOM 759 N ARG A 56 -8.260 4.372 -16.088 1.00 0.00 N ATOM 760 CA ARG A 56 -7.646 3.683 -17.212 1.00 0.00 C ATOM 761 C ARG A 56 -7.231 2.268 -16.806 1.00 0.00 C ATOM 762 O ARG A 56 -7.728 1.731 -15.815 1.00 0.00 O ATOM 763 CB ARG A 56 -6.419 4.442 -17.718 1.00 0.00 C ATOM 764 CG ARG A 56 -6.456 4.595 -19.239 1.00 0.00 C ATOM 765 CD ARG A 56 -5.085 5.000 -19.784 1.00 0.00 C ATOM 766 NE ARG A 56 -5.221 6.173 -20.677 1.00 0.00 N ATOM 767 CZ ARG A 56 -4.201 6.735 -21.339 1.00 0.00 C ATOM 768 NH1 ARG A 56 -2.964 6.236 -21.211 1.00 0.00 N ATOM 769 NH2 ARG A 56 -4.418 7.796 -22.127 1.00 0.00 N ATOM 0 H ARG A 56 -7.606 4.688 -15.372 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.384 3.632 -18.013 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.378 5.426 -17.251 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.513 3.912 -17.424 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.769 3.656 -19.695 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.197 5.346 -19.514 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.412 5.236 -18.960 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.641 4.167 -20.329 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.149 6.579 -20.796 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.799 5.429 -20.610 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.187 6.663 -21.715 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.360 8.176 -22.223 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.642 8.224 -22.631 1.00 0.00 H new ATOM 780 N LEU A 57 -6.326 1.703 -17.590 1.00 0.00 N ATOM 781 CA LEU A 57 -5.838 0.360 -17.324 1.00 0.00 C ATOM 782 C LEU A 57 -4.769 0.417 -16.231 1.00 0.00 C ATOM 783 O LEU A 57 -3.579 0.300 -16.517 1.00 0.00 O ATOM 784 CB LEU A 57 -5.362 -0.302 -18.617 1.00 0.00 C ATOM 785 CG LEU A 57 -6.450 -0.932 -19.489 1.00 0.00 C ATOM 786 CD1 LEU A 57 -7.479 0.113 -19.923 1.00 0.00 C ATOM 787 CD2 LEU A 57 -5.839 -1.667 -20.684 1.00 0.00 C ATOM 0 H LEU A 57 -5.917 2.150 -18.410 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.644 -0.271 -16.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.835 0.445 -19.211 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.637 -1.075 -18.361 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.979 -1.675 -18.891 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.241 -0.362 -20.542 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.948 0.550 -19.041 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.983 0.896 -20.496 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.634 -2.105 -21.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.269 -0.964 -21.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.178 -2.456 -20.326 1.00 0.00 H new ATOM 798 N GLU A 58 -5.231 0.599 -15.003 1.00 0.00 N ATOM 799 CA GLU A 58 -4.328 0.673 -13.867 1.00 0.00 C ATOM 800 C GLU A 58 -3.313 -0.470 -13.920 1.00 0.00 C ATOM 801 O GLU A 58 -3.541 -1.476 -14.591 1.00 0.00 O ATOM 802 CB GLU A 58 -5.105 0.656 -12.548 1.00 0.00 C ATOM 803 CG GLU A 58 -6.213 1.711 -12.551 1.00 0.00 C ATOM 804 CD GLU A 58 -6.710 1.989 -11.130 1.00 0.00 C ATOM 805 OE1 GLU A 58 -7.301 1.055 -10.545 1.00 0.00 O ATOM 806 OE2 GLU A 58 -6.489 3.126 -10.663 1.00 0.00 O ATOM 0 H GLU A 58 -6.219 0.697 -14.770 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.785 1.617 -13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.539 -0.331 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.423 0.842 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.841 2.633 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.043 1.370 -13.170 1.00 0.00 H new ATOM 811 N PRO A 59 -2.187 -0.273 -13.185 1.00 0.00 N ATOM 812 CA PRO A 59 -1.136 -1.276 -13.141 1.00 0.00 C ATOM 813 C PRO A 59 -1.543 -2.459 -12.261 1.00 0.00 C ATOM 814 O PRO A 59 -1.890 -3.525 -12.770 1.00 0.00 O ATOM 815 CB PRO A 59 0.088 -0.541 -12.619 1.00 0.00 C ATOM 816 CG PRO A 59 -0.437 0.720 -11.952 1.00 0.00 C ATOM 817 CD PRO A 59 -1.884 0.906 -12.378 1.00 0.00 C ATOM 0 HA PRO A 59 -0.934 -1.716 -14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.641 -1.157 -11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.773 -0.297 -13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.366 0.636 -10.868 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.161 1.583 -12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.545 0.975 -11.514 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.013 1.823 -12.953 1.00 0.00 H new ATOM 822 N MET A 60 -1.488 -2.232 -10.958 1.00 0.00 N ATOM 823 CA MET A 60 -1.847 -3.268 -10.003 1.00 0.00 C ATOM 824 C MET A 60 -3.118 -2.892 -9.239 1.00 0.00 C ATOM 825 O MET A 60 -4.173 -3.488 -9.449 1.00 0.00 O ATOM 826 CB MET A 60 -0.697 -3.470 -9.014 1.00 0.00 C ATOM 827 CG MET A 60 0.437 -4.278 -9.648 1.00 0.00 C ATOM 828 SD MET A 60 0.548 -5.884 -8.880 1.00 0.00 S ATOM 829 CE MET A 60 1.004 -6.873 -10.296 1.00 0.00 C ATOM 0 H MET A 60 -1.201 -1.347 -10.540 1.00 0.00 H new ATOM 0 HA MET A 60 -2.035 -4.192 -10.550 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.319 -2.501 -8.687 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.063 -3.985 -8.126 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.261 -4.389 -10.718 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.381 -3.746 -9.534 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.116 -7.914 -9.992 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.227 -6.799 -11.057 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.948 -6.511 -10.704 1.00 0.00 H new ATOM 837 N ASP A 61 -2.975 -1.904 -8.367 1.00 0.00 N ATOM 838 CA ASP A 61 -4.100 -1.442 -7.571 1.00 0.00 C ATOM 839 C ASP A 61 -4.562 -2.568 -6.645 1.00 0.00 C ATOM 840 O ASP A 61 -5.334 -3.435 -7.053 1.00 0.00 O ATOM 841 CB ASP A 61 -5.279 -1.047 -8.461 1.00 0.00 C ATOM 842 CG ASP A 61 -6.202 0.024 -7.875 1.00 0.00 C ATOM 843 OD1 ASP A 61 -5.741 1.183 -7.785 1.00 0.00 O ATOM 844 OD2 ASP A 61 -7.347 -0.339 -7.527 1.00 0.00 O ATOM 0 H ASP A 61 -2.099 -1.411 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.774 -0.574 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.891 -0.689 -9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.870 -1.938 -8.672 1.00 0.00 H new ATOM 848 N THR A 62 -4.070 -2.521 -5.416 1.00 0.00 N ATOM 849 CA THR A 62 -4.422 -3.528 -4.429 1.00 0.00 C ATOM 850 C THR A 62 -3.464 -3.467 -3.238 1.00 0.00 C ATOM 851 O THR A 62 -3.829 -3.834 -2.123 1.00 0.00 O ATOM 852 CB THR A 62 -4.438 -4.889 -5.127 1.00 0.00 C ATOM 853 OG1 THR A 62 -5.816 -5.123 -5.402 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.046 -6.033 -4.189 1.00 0.00 C ATOM 0 H THR A 62 -3.430 -1.801 -5.081 1.00 0.00 H new ATOM 0 HA THR A 62 -5.414 -3.346 -4.016 1.00 0.00 H new ATOM 0 HB THR A 62 -3.757 -4.868 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.126 -4.490 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.073 -6.976 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.039 -5.863 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.746 -6.076 -3.355 1.00 0.00 H new ATOM 862 N ILE A 63 -2.256 -2.999 -3.516 1.00 0.00 N ATOM 863 CA ILE A 63 -1.241 -2.885 -2.481 1.00 0.00 C ATOM 864 C ILE A 63 -0.840 -4.284 -2.010 1.00 0.00 C ATOM 865 O ILE A 63 -1.663 -5.020 -1.467 1.00 0.00 O ATOM 866 CB ILE A 63 -1.727 -1.973 -1.354 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.490 -0.500 -1.699 1.00 0.00 C ATOM 868 CG2 ILE A 63 -1.085 -2.359 -0.020 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.808 0.275 -1.724 1.00 0.00 C ATOM 0 H ILE A 63 -1.957 -2.694 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.343 -2.412 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.803 -2.109 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.816 -0.055 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.001 -0.424 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.448 -1.695 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.348 -3.388 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.001 -2.270 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.612 1.318 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.470 -0.158 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.283 0.217 -0.744 1.00 0.00 H new ATOM 880 N PHE A 64 0.424 -4.610 -2.236 1.00 0.00 N ATOM 881 CA PHE A 64 0.946 -5.908 -1.841 1.00 0.00 C ATOM 882 C PHE A 64 2.172 -5.755 -0.940 1.00 0.00 C ATOM 883 O PHE A 64 2.949 -4.815 -1.097 1.00 0.00 O ATOM 884 CB PHE A 64 1.356 -6.634 -3.124 1.00 0.00 C ATOM 885 CG PHE A 64 0.181 -7.035 -4.017 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.359 -6.131 -4.877 1.00 0.00 C ATOM 887 CD2 PHE A 64 -0.324 -8.296 -3.950 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.450 -6.502 -5.706 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.416 -8.668 -4.779 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.955 -7.763 -5.640 1.00 0.00 C ATOM 0 H PHE A 64 1.103 -3.997 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 64 0.188 -6.461 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.028 -5.992 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.919 -7.529 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.042 -5.130 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.105 -9.014 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.879 -5.783 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.818 -9.669 -4.726 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.784 -8.046 -6.271 1.00 0.00 H new ATOM 899 N VAL A 65 2.307 -6.695 -0.015 1.00 0.00 N ATOM 900 CA VAL A 65 3.425 -6.677 0.911 1.00 0.00 C ATOM 901 C VAL A 65 4.708 -7.052 0.165 1.00 0.00 C ATOM 902 O VAL A 65 4.725 -8.019 -0.596 1.00 0.00 O ATOM 903 CB VAL A 65 3.135 -7.595 2.100 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.337 -7.665 3.045 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.877 -7.147 2.845 1.00 0.00 C ATOM 0 H VAL A 65 1.660 -7.473 0.112 1.00 0.00 H new ATOM 0 HA VAL A 65 3.567 -5.676 1.317 1.00 0.00 H new ATOM 0 HB VAL A 65 2.955 -8.598 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.104 -8.324 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.201 -8.054 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.563 -6.667 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.694 -7.817 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.015 -6.131 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.024 -7.174 2.167 1.00 0.00 H new ATOM 915 N LYS A 66 5.748 -6.269 0.408 1.00 0.00 N ATOM 916 CA LYS A 66 7.030 -6.508 -0.232 1.00 0.00 C ATOM 917 C LYS A 66 7.939 -7.278 0.729 1.00 0.00 C ATOM 918 O LYS A 66 8.367 -8.390 0.426 1.00 0.00 O ATOM 919 CB LYS A 66 7.634 -5.192 -0.728 1.00 0.00 C ATOM 920 CG LYS A 66 8.826 -5.450 -1.654 1.00 0.00 C ATOM 921 CD LYS A 66 9.842 -4.310 -1.568 1.00 0.00 C ATOM 922 CE LYS A 66 11.075 -4.734 -0.766 1.00 0.00 C ATOM 923 NZ LYS A 66 12.225 -4.970 -1.669 1.00 0.00 N ATOM 0 H LYS A 66 5.729 -5.468 1.039 1.00 0.00 H new ATOM 0 HA LYS A 66 6.904 -7.129 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.875 -4.616 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.954 -4.591 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.305 -6.391 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.477 -5.555 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.142 -4.009 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.380 -3.441 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.328 -3.961 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.855 -5.641 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.053 -5.257 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.987 -5.723 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.444 -4.096 -2.188 1.00 0.00 H new ATOM 933 N GLN A 67 8.208 -6.654 1.865 1.00 0.00 N ATOM 934 CA GLN A 67 9.057 -7.267 2.873 1.00 0.00 C ATOM 935 C GLN A 67 8.428 -7.121 4.260 1.00 0.00 C ATOM 936 O GLN A 67 7.493 -6.343 4.442 1.00 0.00 O ATOM 937 CB GLN A 67 10.464 -6.667 2.843 1.00 0.00 C ATOM 938 CG GLN A 67 11.391 -7.484 1.941 1.00 0.00 C ATOM 939 CD GLN A 67 12.597 -8.007 2.725 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.573 -9.077 3.309 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.649 -7.193 2.704 1.00 0.00 N ATOM 0 H GLN A 67 7.853 -5.730 2.111 1.00 0.00 H new ATOM 0 HA GLN A 67 9.145 -8.330 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.417 -5.639 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.871 -6.634 3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.841 -8.321 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.733 -6.867 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.601 -6.311 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.504 -7.451 3.197 1.00 0.00 H new ATOM 948 N VAL A 68 8.967 -7.881 5.202 1.00 0.00 N ATOM 949 CA VAL A 68 8.470 -7.846 6.566 1.00 0.00 C ATOM 950 C VAL A 68 9.654 -7.820 7.536 1.00 0.00 C ATOM 951 O VAL A 68 10.423 -8.777 7.608 1.00 0.00 O ATOM 952 CB VAL A 68 7.525 -9.025 6.810 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.240 -9.200 8.303 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.226 -8.857 6.020 1.00 0.00 C ATOM 0 H VAL A 68 9.743 -8.525 5.047 1.00 0.00 H new ATOM 0 HA VAL A 68 7.889 -6.940 6.736 1.00 0.00 H new ATOM 0 HB VAL A 68 8.019 -9.930 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.566 -10.044 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.174 -9.386 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.776 -8.294 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.572 -9.708 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.727 -7.939 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.452 -8.805 4.955 1.00 0.00 H new ATOM 964 N LYS A 69 9.764 -6.713 8.255 1.00 0.00 N ATOM 965 CA LYS A 69 10.841 -6.549 9.216 1.00 0.00 C ATOM 966 C LYS A 69 11.067 -7.871 9.953 1.00 0.00 C ATOM 967 O LYS A 69 10.128 -8.639 10.161 1.00 0.00 O ATOM 968 CB LYS A 69 10.555 -5.369 10.147 1.00 0.00 C ATOM 969 CG LYS A 69 11.855 -4.708 10.609 1.00 0.00 C ATOM 970 CD LYS A 69 12.561 -5.563 11.664 1.00 0.00 C ATOM 971 CE LYS A 69 12.797 -4.766 12.947 1.00 0.00 C ATOM 972 NZ LYS A 69 13.709 -5.502 13.853 1.00 0.00 N ATOM 0 H LYS A 69 9.125 -5.921 8.191 1.00 0.00 H new ATOM 0 HA LYS A 69 11.772 -6.304 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.934 -4.637 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.990 -5.713 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.515 -4.560 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.639 -3.722 11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.959 -6.445 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.514 -5.918 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.223 -3.792 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.847 -4.582 13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.399 -5.374 14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.693 -6.514 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.676 -5.136 13.744 1.00 0.00 H new ATOM 982 N GLU A 70 12.318 -8.098 10.327 1.00 0.00 N ATOM 983 CA GLU A 70 12.679 -9.313 11.037 1.00 0.00 C ATOM 984 C GLU A 70 12.615 -9.085 12.548 1.00 0.00 C ATOM 985 O GLU A 70 13.637 -8.833 13.185 1.00 0.00 O ATOM 986 CB GLU A 70 14.065 -9.803 10.613 1.00 0.00 C ATOM 987 CG GLU A 70 14.249 -11.285 10.947 1.00 0.00 C ATOM 988 CD GLU A 70 15.136 -11.465 12.180 1.00 0.00 C ATOM 989 OE1 GLU A 70 16.154 -10.744 12.258 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.776 -12.319 13.019 1.00 0.00 O ATOM 0 H GLU A 70 13.094 -7.460 10.151 1.00 0.00 H new ATOM 0 HA GLU A 70 11.960 -10.090 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.197 -9.649 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.832 -9.215 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.277 -11.745 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.695 -11.800 10.096 1.00 0.00 H new ATOM 995 N GLY A 71 11.405 -9.185 13.078 1.00 0.00 N ATOM 996 CA GLY A 71 11.194 -8.992 14.502 1.00 0.00 C ATOM 997 C GLY A 71 10.560 -7.629 14.784 1.00 0.00 C ATOM 998 O GLY A 71 10.763 -7.054 15.854 1.00 0.00 O ATOM 0 H GLY A 71 10.561 -9.397 12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.551 -9.783 14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.146 -9.070 15.028 1.00 0.00 H new ATOM 1002 N GLY A 72 9.805 -7.150 13.806 1.00 0.00 N ATOM 1003 CA GLY A 72 9.140 -5.864 13.936 1.00 0.00 C ATOM 1004 C GLY A 72 7.679 -6.042 14.356 1.00 0.00 C ATOM 1005 O GLY A 72 7.322 -7.052 14.957 1.00 0.00 O ATOM 0 H GLY A 72 9.639 -7.629 12.921 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.662 -5.253 14.673 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.187 -5.329 12.988 1.00 0.00 H new ATOM 1009 N PRO A 73 6.854 -5.016 14.013 1.00 0.00 N ATOM 1010 CA PRO A 73 5.440 -5.051 14.347 1.00 0.00 C ATOM 1011 C PRO A 73 4.682 -6.013 13.431 1.00 0.00 C ATOM 1012 O PRO A 73 4.209 -7.057 13.877 1.00 0.00 O ATOM 1013 CB PRO A 73 4.971 -3.611 14.216 1.00 0.00 C ATOM 1014 CG PRO A 73 6.017 -2.908 13.366 1.00 0.00 C ATOM 1015 CD PRO A 73 7.243 -3.804 13.300 1.00 0.00 C ATOM 0 HA PRO A 73 5.254 -5.427 15.353 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.989 -3.561 13.747 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.881 -3.139 15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.630 -2.717 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.274 -1.941 13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.519 -4.023 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.106 -3.329 13.767 1.00 0.00 H new ATOM 1020 N ALA A 74 4.592 -5.629 12.166 1.00 0.00 N ATOM 1021 CA ALA A 74 3.899 -6.444 11.184 1.00 0.00 C ATOM 1022 C ALA A 74 4.348 -7.899 11.330 1.00 0.00 C ATOM 1023 O ALA A 74 3.528 -8.815 11.265 1.00 0.00 O ATOM 1024 CB ALA A 74 4.163 -5.890 9.783 1.00 0.00 C ATOM 0 H ALA A 74 4.988 -4.764 11.799 1.00 0.00 H new ATOM 0 HA ALA A 74 2.822 -6.412 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.643 -6.502 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.801 -4.864 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.234 -5.909 9.580 1.00 0.00 H new ATOM 1030 N PHE A 75 5.648 -8.069 11.522 1.00 0.00 N ATOM 1031 CA PHE A 75 6.214 -9.398 11.677 1.00 0.00 C ATOM 1032 C PHE A 75 5.516 -10.164 12.801 1.00 0.00 C ATOM 1033 O PHE A 75 5.396 -11.388 12.741 1.00 0.00 O ATOM 1034 CB PHE A 75 7.689 -9.215 12.041 1.00 0.00 C ATOM 1035 CG PHE A 75 8.413 -10.519 12.383 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.663 -11.435 11.410 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.804 -10.763 13.663 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.333 -12.645 11.728 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.474 -11.974 13.981 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.725 -12.889 13.008 1.00 0.00 C ATOM 0 H PHE A 75 6.325 -7.308 11.574 1.00 0.00 H new ATOM 0 HA PHE A 75 6.089 -9.966 10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.201 -8.735 11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.761 -8.538 12.892 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.351 -11.242 10.394 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.605 -10.036 14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.532 -13.372 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.784 -12.168 14.997 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.235 -13.809 13.251 1.00 0.00 H new ATOM 1049 N GLU A 76 5.072 -9.414 13.799 1.00 0.00 N ATOM 1050 CA GLU A 76 4.388 -10.009 14.935 1.00 0.00 C ATOM 1051 C GLU A 76 2.904 -10.206 14.616 1.00 0.00 C ATOM 1052 O GLU A 76 2.375 -11.305 14.770 1.00 0.00 O ATOM 1053 CB GLU A 76 4.571 -9.156 16.192 1.00 0.00 C ATOM 1054 CG GLU A 76 6.053 -8.892 16.464 1.00 0.00 C ATOM 1055 CD GLU A 76 6.551 -9.732 17.642 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.286 -10.954 17.621 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.185 -9.133 18.538 1.00 0.00 O ATOM 0 H GLU A 76 5.172 -8.400 13.845 1.00 0.00 H new ATOM 0 HA GLU A 76 4.830 -10.986 15.131 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.045 -8.209 16.073 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.125 -9.663 17.048 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.637 -9.125 15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.205 -7.834 16.677 1.00 0.00 H new ATOM 1062 N ALA A 77 2.277 -9.124 14.180 1.00 0.00 N ATOM 1063 CA ALA A 77 0.864 -9.165 13.840 1.00 0.00 C ATOM 1064 C ALA A 77 0.551 -10.487 13.138 1.00 0.00 C ATOM 1065 O ALA A 77 -0.556 -11.010 13.256 1.00 0.00 O ATOM 1066 CB ALA A 77 0.512 -7.950 12.978 1.00 0.00 C ATOM 0 H ALA A 77 2.720 -8.214 14.054 1.00 0.00 H new ATOM 0 HA ALA A 77 0.251 -9.116 14.740 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.547 -7.980 12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.726 -7.036 13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.106 -7.968 12.064 1.00 0.00 H new ATOM 1072 N GLY A 78 1.547 -10.992 12.424 1.00 0.00 N ATOM 1073 CA GLY A 78 1.391 -12.244 11.703 1.00 0.00 C ATOM 1074 C GLY A 78 1.503 -12.025 10.192 1.00 0.00 C ATOM 1075 O GLY A 78 1.286 -12.949 9.410 1.00 0.00 O ATOM 0 H GLY A 78 2.465 -10.557 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.153 -12.953 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.423 -12.686 11.939 1.00 0.00 H new ATOM 1079 N LEU A 79 1.841 -10.797 9.829 1.00 0.00 N ATOM 1080 CA LEU A 79 1.985 -10.445 8.426 1.00 0.00 C ATOM 1081 C LEU A 79 3.041 -11.348 7.784 1.00 0.00 C ATOM 1082 O LEU A 79 3.589 -12.232 8.440 1.00 0.00 O ATOM 1083 CB LEU A 79 2.279 -8.952 8.275 1.00 0.00 C ATOM 1084 CG LEU A 79 1.508 -8.225 7.173 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.050 -8.002 7.580 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.201 -6.915 6.791 1.00 0.00 C ATOM 0 H LEU A 79 2.019 -10.033 10.481 1.00 0.00 H new ATOM 0 HA LEU A 79 1.050 -10.617 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.065 -8.462 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.346 -8.829 8.086 1.00 0.00 H new ATOM 0 HG LEU A 79 1.503 -8.858 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.476 -7.483 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.428 -8.964 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.014 -7.399 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.632 -6.418 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.258 -6.265 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.208 -7.127 6.431 1.00 0.00 H new ATOM 1097 N CYS A 80 3.293 -11.094 6.508 1.00 0.00 N ATOM 1098 CA CYS A 80 4.272 -11.873 5.769 1.00 0.00 C ATOM 1099 C CYS A 80 4.413 -11.266 4.371 1.00 0.00 C ATOM 1100 O CYS A 80 3.964 -10.148 4.128 1.00 0.00 O ATOM 1101 CB CYS A 80 3.892 -13.355 5.713 1.00 0.00 C ATOM 1102 SG CYS A 80 5.191 -14.365 6.513 1.00 0.00 S ATOM 0 H CYS A 80 2.836 -10.360 5.967 1.00 0.00 H new ATOM 0 HA CYS A 80 5.234 -11.832 6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.937 -13.513 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.764 -13.667 4.677 1.00 0.00 H new ATOM 0 HG CYS A 80 4.857 -15.620 6.462 1.00 0.00 H new ATOM 1107 N THR A 81 5.039 -12.033 3.490 1.00 0.00 N ATOM 1108 CA THR A 81 5.246 -11.583 2.123 1.00 0.00 C ATOM 1109 C THR A 81 4.265 -12.283 1.180 1.00 0.00 C ATOM 1110 O THR A 81 4.087 -13.497 1.252 1.00 0.00 O ATOM 1111 CB THR A 81 6.713 -11.825 1.763 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.881 -13.232 1.916 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.675 -11.221 2.788 1.00 0.00 C ATOM 0 H THR A 81 5.409 -12.961 3.695 1.00 0.00 H new ATOM 0 HA THR A 81 5.044 -10.517 2.021 1.00 0.00 H new ATOM 0 HB THR A 81 6.919 -11.403 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.015 -13.679 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.703 -11.421 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.517 -10.144 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.492 -11.667 3.766 1.00 0.00 H new ATOM 1121 N GLY A 82 3.654 -11.485 0.316 1.00 0.00 N ATOM 1122 CA GLY A 82 2.697 -12.011 -0.642 1.00 0.00 C ATOM 1123 C GLY A 82 1.267 -11.627 -0.255 1.00 0.00 C ATOM 1124 O GLY A 82 0.339 -11.801 -1.042 1.00 0.00 O ATOM 0 H GLY A 82 3.804 -10.478 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.924 -11.627 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.785 -13.096 -0.691 1.00 0.00 H new ATOM 1128 N ASP A 83 1.135 -11.113 0.959 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.166 -10.703 1.461 1.00 0.00 C ATOM 1130 C ASP A 83 -0.504 -9.316 0.916 1.00 0.00 C ATOM 1131 O ASP A 83 0.352 -8.432 0.883 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.166 -10.625 2.989 1.00 0.00 C ATOM 1133 CG ASP A 83 0.105 -11.949 3.705 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.742 -12.856 3.561 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.155 -12.023 4.380 1.00 0.00 O ATOM 0 H ASP A 83 1.907 -10.971 1.610 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.901 -11.441 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.586 -9.900 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.132 -10.243 3.318 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.754 -9.164 0.500 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.214 -7.898 -0.042 1.00 0.00 C ATOM 1141 C ARG A 84 -3.078 -7.164 0.986 1.00 0.00 C ATOM 1142 O ARG A 84 -3.814 -7.791 1.745 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.027 -8.111 -1.321 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.281 -8.941 -1.043 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.226 -8.926 -2.246 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.631 -8.998 -1.787 1.00 0.00 N ATOM 1147 CZ ARG A 84 -7.660 -9.346 -2.571 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -7.449 -9.656 -3.857 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.903 -9.384 -2.068 1.00 0.00 N ATOM 0 H ARG A 84 -2.462 -9.898 0.528 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.335 -7.298 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.311 -7.146 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.412 -8.614 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.998 -9.968 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.796 -8.547 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.071 -8.018 -2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.006 -9.768 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.828 -8.768 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.504 -9.627 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.233 -9.921 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.064 -9.148 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.687 -9.649 -2.665 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.958 -5.845 0.977 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.718 -5.018 1.899 1.00 0.00 C ATOM 1162 C ILE A 85 -5.103 -4.744 1.309 1.00 0.00 C ATOM 1163 O ILE A 85 -5.226 -4.414 0.131 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.938 -3.749 2.249 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.503 -4.084 2.660 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.666 -2.935 3.320 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.483 -5.120 3.785 1.00 0.00 C ATOM 0 H ILE A 85 -2.346 -5.328 0.346 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.870 -5.542 2.843 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.880 -3.126 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.954 -4.466 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.993 -3.177 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.090 -2.039 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.651 -2.649 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.776 -3.537 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.451 -5.340 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.012 -4.725 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.972 -6.034 3.447 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.112 -4.893 2.155 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.483 -4.668 1.733 1.00 0.00 C ATOM 1180 C ILE A 86 -8.067 -3.492 2.518 1.00 0.00 C ATOM 1181 O ILE A 86 -8.808 -2.680 1.966 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.302 -5.955 1.857 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.423 -6.389 3.319 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.718 -7.062 0.978 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.318 -7.622 3.452 1.00 0.00 C ATOM 0 H ILE A 86 -6.006 -5.167 3.132 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.516 -4.397 0.678 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.311 -5.754 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.434 -6.608 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.833 -5.572 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.318 -7.966 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.726 -6.742 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.693 -7.269 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.387 -7.910 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.313 -7.392 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.892 -8.445 2.878 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.709 -3.435 3.792 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.187 -2.371 4.658 1.00 0.00 C ATOM 1198 C LYS A 87 -7.015 -1.812 5.467 1.00 0.00 C ATOM 1199 O LYS A 87 -5.979 -2.460 5.594 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.351 -2.864 5.521 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.548 -3.261 4.654 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.020 -4.678 4.987 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.578 -5.376 3.744 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.431 -6.521 4.133 1.00 0.00 N ATOM 0 H LYS A 87 -7.093 -4.109 4.246 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.587 -1.548 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.030 -3.718 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.647 -2.081 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.364 -2.556 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.274 -3.203 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.189 -5.256 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.787 -4.637 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.157 -4.668 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.758 -5.723 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.802 -6.984 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.868 -7.203 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.224 -6.182 4.714 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.220 -0.612 5.992 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.194 0.042 6.785 1.00 0.00 C ATOM 1216 C VAL A 88 -6.854 1.009 7.769 1.00 0.00 C ATOM 1217 O VAL A 88 -7.611 1.891 7.366 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.178 0.725 5.866 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.280 1.680 6.654 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.345 -0.309 5.105 1.00 0.00 C ATOM 0 H VAL A 88 -8.081 -0.077 5.883 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.641 -0.691 7.372 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.731 1.314 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.568 2.152 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.892 2.447 7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.739 1.123 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.631 0.203 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.807 -0.937 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.003 -0.930 4.498 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.544 0.811 9.041 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.098 1.655 10.088 1.00 0.00 C ATOM 1232 C ASN A 89 -8.618 1.720 9.931 1.00 0.00 C ATOM 1233 O ASN A 89 -9.227 2.760 10.179 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.551 3.080 9.992 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.141 3.168 10.579 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.732 2.362 11.400 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.424 4.187 10.115 1.00 0.00 N ATOM 0 H ASN A 89 -5.916 0.078 9.372 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.820 1.226 11.051 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.535 3.397 8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.213 3.764 10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.470 4.332 10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.828 4.824 9.428 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.188 0.596 9.521 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.625 0.513 9.328 1.00 0.00 C ATOM 1245 C GLY A 90 -11.085 1.446 8.207 1.00 0.00 C ATOM 1246 O GLY A 90 -12.279 1.694 8.049 1.00 0.00 O ATOM 0 H GLY A 90 -8.680 -0.265 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.904 -0.513 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.135 0.774 10.255 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.112 1.936 7.453 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.399 2.835 6.350 1.00 0.00 C ATOM 1252 C GLU A 91 -10.511 2.050 5.041 1.00 0.00 C ATOM 1253 O GLU A 91 -9.591 1.326 4.667 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.336 3.930 6.242 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.974 5.320 6.278 1.00 0.00 C ATOM 1256 CD GLU A 91 -9.129 6.290 7.106 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -7.999 5.895 7.465 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -9.633 7.405 7.363 1.00 0.00 O ATOM 0 H GLU A 91 -9.123 1.726 7.585 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.355 3.321 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.623 3.832 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.775 3.807 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.081 5.701 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.976 5.253 6.701 1.00 0.00 H new ATOM 1263 N SER A 92 -11.648 2.222 4.381 1.00 0.00 N ATOM 1264 CA SER A 92 -11.893 1.539 3.121 1.00 0.00 C ATOM 1265 C SER A 92 -10.991 2.116 2.030 1.00 0.00 C ATOM 1266 O SER A 92 -11.195 3.244 1.582 1.00 0.00 O ATOM 1267 CB SER A 92 -13.362 1.651 2.711 1.00 0.00 C ATOM 1268 OG SER A 92 -14.044 2.670 3.439 1.00 0.00 O ATOM 0 H SER A 92 -12.409 2.824 4.695 1.00 0.00 H new ATOM 0 HA SER A 92 -11.661 0.482 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.425 1.864 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.858 0.694 2.875 1.00 0.00 H new ATOM 0 HG SER A 92 -14.979 2.711 3.147 1.00 0.00 H new ATOM 1273 N VAL A 93 -10.013 1.315 1.631 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.078 1.733 0.599 1.00 0.00 C ATOM 1275 C VAL A 93 -9.300 0.885 -0.655 1.00 0.00 C ATOM 1276 O VAL A 93 -8.398 0.742 -1.481 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.646 1.655 1.127 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.471 2.534 2.368 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.247 0.207 1.421 1.00 0.00 C ATOM 0 H VAL A 93 -9.848 0.380 2.003 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.251 2.773 0.324 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.982 2.034 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.443 2.461 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.694 3.570 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.151 2.198 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.224 0.180 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.919 -0.210 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.314 -0.382 0.506 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.505 0.344 -0.762 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.855 -0.486 -1.901 1.00 0.00 C ATOM 1291 C ILE A 94 -10.813 0.360 -3.174 1.00 0.00 C ATOM 1292 O ILE A 94 -10.484 -0.144 -4.248 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.201 -1.177 -1.666 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.141 -2.095 -0.444 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.659 -1.924 -2.921 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.459 -1.320 0.838 1.00 0.00 C ATOM 0 H ILE A 94 -11.251 0.465 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.128 -1.288 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.946 -0.410 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.850 -2.914 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.149 -2.541 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.617 -2.406 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.767 -1.219 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.919 -2.680 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.410 -1.995 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.733 -0.517 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.461 -0.896 0.768 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.149 1.631 -3.014 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.152 2.552 -4.139 1.00 0.00 C ATOM 1309 C GLY A 95 -10.179 3.708 -3.904 1.00 0.00 C ATOM 1310 O GLY A 95 -10.366 4.800 -4.436 1.00 0.00 O ATOM 0 H GLY A 95 -11.421 2.046 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.877 2.020 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.158 2.944 -4.290 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.159 3.428 -3.104 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.156 4.431 -2.792 1.00 0.00 C ATOM 1316 C LYS A 96 -6.877 4.128 -3.574 1.00 0.00 C ATOM 1317 O LYS A 96 -6.802 3.126 -4.285 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.944 4.524 -1.280 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.080 5.304 -0.613 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.817 5.485 0.883 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.817 6.464 1.501 1.00 0.00 C ATOM 1322 NZ LYS A 96 -11.205 6.008 1.263 1.00 0.00 N ATOM 0 H LYS A 96 -9.007 2.521 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.495 5.419 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.888 3.522 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.992 5.012 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.184 6.279 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.023 4.776 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.887 4.521 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.802 5.852 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.635 6.551 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.676 7.456 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.829 6.397 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.523 6.337 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.239 4.969 1.294 1.00 0.00 H new ATOM 1332 N THR A 97 -5.902 5.011 -3.417 1.00 0.00 N ATOM 1333 CA THR A 97 -4.629 4.850 -4.101 1.00 0.00 C ATOM 1334 C THR A 97 -3.517 4.551 -3.094 1.00 0.00 C ATOM 1335 O THR A 97 -3.785 4.336 -1.912 1.00 0.00 O ATOM 1336 CB THR A 97 -4.375 6.111 -4.929 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.196 5.809 -5.668 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.977 7.309 -4.065 1.00 0.00 C ATOM 0 H THR A 97 -5.967 5.840 -2.827 1.00 0.00 H new ATOM 0 HA THR A 97 -4.649 3.997 -4.779 1.00 0.00 H new ATOM 0 HB THR A 97 -5.271 6.357 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.463 6.384 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.808 8.177 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.776 7.528 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.062 7.076 -3.519 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.291 4.544 -3.598 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.138 4.275 -2.756 1.00 0.00 C ATOM 1348 C TYR A 98 -0.845 5.458 -1.831 1.00 0.00 C ATOM 1349 O TYR A 98 -0.819 5.303 -0.611 1.00 0.00 O ATOM 1350 CB TYR A 98 0.043 4.084 -3.710 1.00 0.00 C ATOM 1351 CG TYR A 98 1.298 3.516 -3.043 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.277 2.244 -2.506 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.448 4.275 -2.976 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.456 1.709 -1.878 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.627 3.740 -2.347 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.574 2.484 -1.828 1.00 0.00 C ATOM 1357 OH TYR A 98 4.688 1.978 -1.234 1.00 0.00 O ATOM 0 H TYR A 98 -2.072 4.720 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.316 3.401 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.260 3.417 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.289 5.044 -4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.376 1.651 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.464 5.270 -3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.454 0.715 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.534 4.323 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 98 5.409 2.641 -1.272 1.00 0.00 H new ATOM 1366 N SER A 99 -0.634 6.611 -2.447 1.00 0.00 N ATOM 1367 CA SER A 99 -0.343 7.819 -1.693 1.00 0.00 C ATOM 1368 C SER A 99 -1.399 8.024 -0.605 1.00 0.00 C ATOM 1369 O SER A 99 -1.151 8.712 0.383 1.00 0.00 O ATOM 1370 CB SER A 99 -0.285 9.041 -2.612 1.00 0.00 C ATOM 1371 OG SER A 99 0.273 10.176 -1.957 1.00 0.00 O ATOM 0 H SER A 99 -0.659 6.735 -3.459 1.00 0.00 H new ATOM 0 HA SER A 99 0.634 7.703 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.309 8.803 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.290 9.281 -2.960 1.00 0.00 H new ATOM 0 HG SER A 99 0.294 10.934 -2.577 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.554 7.411 -0.824 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.648 7.517 0.125 1.00 0.00 C ATOM 1378 C GLN A 100 -3.400 6.602 1.327 1.00 0.00 C ATOM 1379 O GLN A 100 -3.122 7.076 2.426 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.987 7.195 -0.541 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.519 8.403 -1.315 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.854 8.080 -1.987 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.925 7.359 -2.971 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.906 8.649 -1.405 1.00 0.00 N ATOM 0 H GLN A 100 -2.755 6.840 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.695 8.547 0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.866 6.349 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.711 6.896 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.644 9.247 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.792 8.705 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.777 9.241 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.842 8.493 -1.779 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.509 5.305 1.074 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.300 4.320 2.120 1.00 0.00 C ATOM 1393 C VAL A 101 -1.992 4.627 2.852 1.00 0.00 C ATOM 1394 O VAL A 101 -1.841 4.297 4.027 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.335 2.910 1.526 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.732 2.569 1.004 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.285 2.755 0.424 1.00 0.00 C ATOM 0 H VAL A 101 -3.739 4.915 0.160 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.103 4.369 2.855 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.094 2.205 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.729 1.562 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.449 2.621 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.015 3.281 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.330 1.744 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.483 3.474 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.293 2.936 0.838 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.081 5.258 2.126 1.00 0.00 N ATOM 1408 CA ILE A 102 0.210 5.614 2.691 1.00 0.00 C ATOM 1409 C ILE A 102 0.002 6.590 3.850 1.00 0.00 C ATOM 1410 O ILE A 102 0.499 6.367 4.954 1.00 0.00 O ATOM 1411 CB ILE A 102 1.145 6.144 1.602 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.683 5.001 0.739 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.270 6.985 2.205 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.815 4.261 1.453 1.00 0.00 C ATOM 0 H ILE A 102 -1.211 5.532 1.152 1.00 0.00 H new ATOM 0 HA ILE A 102 0.703 4.732 3.100 1.00 0.00 H new ATOM 0 HB ILE A 102 0.570 6.799 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.877 4.304 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.044 5.396 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.919 7.349 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.843 7.833 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.851 6.374 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.179 3.454 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.629 4.955 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.444 3.846 2.390 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.734 7.654 3.562 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.015 8.666 4.566 1.00 0.00 C ATOM 1427 C ALA A 103 -1.659 8.003 5.787 1.00 0.00 C ATOM 1428 O ALA A 103 -1.435 8.429 6.919 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.901 9.756 3.961 1.00 0.00 C ATOM 0 H ALA A 103 -1.145 7.837 2.646 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.092 9.143 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.111 10.514 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.387 10.216 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.837 9.315 3.619 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.442 6.970 5.514 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.118 6.244 6.575 1.00 0.00 C ATOM 1437 C LEU A 104 -2.077 5.586 7.482 1.00 0.00 C ATOM 1438 O LEU A 104 -2.218 5.597 8.704 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.132 5.260 5.989 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.326 5.880 5.259 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.325 4.804 4.828 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.985 6.967 6.112 1.00 0.00 C ATOM 0 H LEU A 104 -2.623 6.619 4.574 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.695 6.929 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.610 4.601 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.511 4.635 6.798 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.960 6.360 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.163 5.272 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.834 4.099 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.691 4.274 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.830 7.392 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.335 6.532 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.259 7.752 6.325 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.054 5.030 6.850 1.00 0.00 N ATOM 1454 CA ILE A 105 0.011 4.369 7.584 1.00 0.00 C ATOM 1455 C ILE A 105 0.862 5.422 8.298 1.00 0.00 C ATOM 1456 O ILE A 105 1.521 5.123 9.293 1.00 0.00 O ATOM 1457 CB ILE A 105 0.813 3.455 6.657 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.065 2.335 6.095 1.00 0.00 C ATOM 1459 CG2 ILE A 105 2.056 2.910 7.366 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.200 2.126 4.604 1.00 0.00 C ATOM 0 H ILE A 105 -0.940 5.024 5.836 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.404 3.718 8.354 1.00 0.00 H new ATOM 0 HB ILE A 105 1.159 4.047 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.130 1.409 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.116 2.579 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.609 2.263 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.692 3.740 7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.753 2.339 8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.437 1.324 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.020 3.046 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.246 1.858 4.454 1.00 0.00 H new ATOM 1471 N GLN A 106 0.819 6.633 7.762 1.00 0.00 N ATOM 1472 CA GLN A 106 1.578 7.732 8.334 1.00 0.00 C ATOM 1473 C GLN A 106 0.728 8.486 9.360 1.00 0.00 C ATOM 1474 O GLN A 106 1.261 9.206 10.202 1.00 0.00 O ATOM 1475 CB GLN A 106 2.085 8.675 7.242 1.00 0.00 C ATOM 1476 CG GLN A 106 3.005 7.941 6.266 1.00 0.00 C ATOM 1477 CD GLN A 106 4.193 8.818 5.864 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.511 9.806 6.504 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.826 8.403 4.771 1.00 0.00 N ATOM 0 H GLN A 106 0.270 6.877 6.938 1.00 0.00 H new ATOM 0 HA GLN A 106 2.449 7.320 8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.239 9.098 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.622 9.508 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.367 7.021 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.443 7.655 5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.506 7.566 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.631 8.921 4.420 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.579 8.293 9.256 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.506 8.946 10.164 1.00 0.00 C ATOM 1488 C ASN A 107 -2.039 7.919 11.166 1.00 0.00 C ATOM 1489 O ASN A 107 -3.083 8.131 11.780 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.700 9.528 9.404 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.373 10.915 8.849 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -2.008 11.830 9.568 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.523 11.019 7.532 1.00 0.00 N ATOM 0 H ASN A 107 -1.018 7.694 8.557 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.973 9.750 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.976 8.861 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.562 9.592 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.329 11.905 7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.832 10.213 6.989 1.00 0.00 H new ATOM 1499 N SER A 108 -1.296 6.830 11.300 1.00 0.00 N ATOM 1500 CA SER A 108 -1.679 5.772 12.217 1.00 0.00 C ATOM 1501 C SER A 108 -1.443 6.220 13.661 1.00 0.00 C ATOM 1502 O SER A 108 -1.803 5.512 14.601 1.00 0.00 O ATOM 1503 CB SER A 108 -0.905 4.484 11.929 1.00 0.00 C ATOM 1504 OG SER A 108 -0.343 4.482 10.619 1.00 0.00 O ATOM 0 H SER A 108 -0.431 6.658 10.788 1.00 0.00 H new ATOM 0 HA SER A 108 -2.740 5.566 12.075 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.110 4.366 12.665 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.571 3.628 12.039 1.00 0.00 H new ATOM 0 HG SER A 108 0.532 4.922 10.638 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.843 7.393 13.793 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.555 7.945 15.106 1.00 0.00 C ATOM 1511 C ASP A 109 0.412 7.016 15.843 1.00 0.00 C ATOM 1512 O ASP A 109 1.617 7.047 15.598 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.828 8.061 15.945 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.603 8.392 17.422 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -0.539 8.979 17.716 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.500 8.052 18.223 1.00 0.00 O ATOM 0 H ASP A 109 -0.548 7.978 13.011 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.121 8.936 14.968 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.463 8.832 15.509 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.376 7.121 15.878 1.00 0.00 H new ATOM 1520 N THR A 110 -0.151 6.211 16.733 1.00 0.00 N ATOM 1521 CA THR A 110 0.647 5.276 17.508 1.00 0.00 C ATOM 1522 C THR A 110 0.697 3.915 16.812 1.00 0.00 C ATOM 1523 O THR A 110 1.765 3.463 16.400 1.00 0.00 O ATOM 1524 CB THR A 110 0.064 5.215 18.921 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.416 6.469 19.496 1.00 0.00 O ATOM 1526 CG2 THR A 110 0.775 4.186 19.803 1.00 0.00 C ATOM 0 H THR A 110 -1.151 6.187 16.934 1.00 0.00 H new ATOM 0 HA THR A 110 1.683 5.606 17.583 1.00 0.00 H new ATOM 0 HB THR A 110 -0.998 4.974 18.866 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.075 6.515 20.414 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.323 4.183 20.795 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.679 3.196 19.357 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.830 4.445 19.886 1.00 0.00 H new ATOM 1534 N THR A 111 -0.470 3.297 16.702 1.00 0.00 N ATOM 1535 CA THR A 111 -0.573 1.997 16.063 1.00 0.00 C ATOM 1536 C THR A 111 -1.044 2.149 14.617 1.00 0.00 C ATOM 1537 O THR A 111 -1.346 3.255 14.170 1.00 0.00 O ATOM 1538 CB THR A 111 -1.496 1.123 16.914 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.402 2.050 17.505 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.772 0.496 18.108 1.00 0.00 C ATOM 0 H THR A 111 -1.353 3.674 17.045 1.00 0.00 H new ATOM 0 HA THR A 111 0.399 1.507 16.005 1.00 0.00 H new ATOM 0 HB THR A 111 -1.923 0.335 16.294 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.039 1.568 18.073 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.472 -0.114 18.679 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.046 -0.129 17.750 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.374 1.284 18.747 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.092 1.022 13.921 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.523 1.017 12.534 1.00 0.00 C ATOM 1550 C LEU A 112 -2.188 -0.325 12.215 1.00 0.00 C ATOM 1551 O LEU A 112 -1.509 -1.343 12.086 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.353 1.357 11.608 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.687 1.475 10.119 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.202 0.243 9.350 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.181 1.730 9.911 1.00 0.00 C ATOM 0 H LEU A 112 -0.839 0.106 14.292 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.270 1.792 12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.083 2.300 11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.414 0.592 11.728 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.155 2.337 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.451 0.351 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.878 0.148 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.687 -0.648 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.391 1.810 8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.753 0.904 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.464 2.658 10.407 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.506 -0.283 12.099 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.270 -1.482 11.799 1.00 0.00 C ATOM 1568 C GLU A 113 -4.257 -1.756 10.293 1.00 0.00 C ATOM 1569 O GLU A 113 -4.345 -0.831 9.489 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.703 -1.365 12.322 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.442 -2.699 12.204 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.951 -2.507 12.368 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.380 -2.361 13.532 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.640 -2.513 11.324 1.00 0.00 O ATOM 0 H GLU A 113 -4.065 0.563 12.207 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.801 -2.325 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.688 -1.045 13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.237 -0.599 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.233 -3.150 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.075 -3.390 12.963 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.148 -3.033 9.958 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.122 -3.442 8.564 1.00 0.00 C ATOM 1581 C LEU A 114 -5.126 -4.576 8.351 1.00 0.00 C ATOM 1582 O LEU A 114 -5.814 -4.986 9.285 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.697 -3.793 8.135 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.700 -2.632 8.101 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.261 -3.146 8.005 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -2.035 -1.655 6.973 1.00 0.00 C ATOM 0 H LEU A 114 -4.077 -3.799 10.628 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.430 -2.619 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.313 -4.556 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.738 -4.240 7.142 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.784 -2.083 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.427 -2.301 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.039 -3.771 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.144 -3.733 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.312 -0.840 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.997 -2.176 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.036 -1.252 7.126 1.00 0.00 H new ATOM 1597 N SER A 115 -5.179 -5.053 7.116 1.00 0.00 N ATOM 1598 CA SER A 115 -6.087 -6.133 6.768 1.00 0.00 C ATOM 1599 C SER A 115 -5.680 -6.747 5.427 1.00 0.00 C ATOM 1600 O SER A 115 -5.442 -6.029 4.458 1.00 0.00 O ATOM 1601 CB SER A 115 -7.533 -5.637 6.708 1.00 0.00 C ATOM 1602 OG SER A 115 -7.812 -4.677 7.722 1.00 0.00 O ATOM 0 H SER A 115 -4.607 -4.711 6.343 1.00 0.00 H new ATOM 0 HA SER A 115 -6.025 -6.897 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.724 -5.196 5.730 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.211 -6.484 6.814 1.00 0.00 H new ATOM 0 HG SER A 115 -7.348 -4.929 8.548 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.612 -8.070 5.416 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.239 -8.790 4.211 1.00 0.00 C ATOM 1609 C VAL A 116 -6.264 -9.892 3.939 1.00 0.00 C ATOM 1610 O VAL A 116 -7.307 -9.946 4.590 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.809 -9.323 4.341 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.822 -8.185 4.610 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.720 -10.394 5.429 1.00 0.00 C ATOM 0 H VAL A 116 -5.809 -8.662 6.223 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.247 -8.121 3.351 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.537 -9.786 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.814 -8.591 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.855 -7.472 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.092 -7.681 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.694 -10.756 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.022 -9.967 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.380 -11.224 5.178 1.00 0.00 H new ATOM 1623 N MET A 117 -5.933 -10.743 2.981 1.00 0.00 N ATOM 1624 CA MET A 117 -6.812 -11.840 2.617 1.00 0.00 C ATOM 1625 C MET A 117 -6.021 -13.134 2.417 1.00 0.00 C ATOM 1626 O MET A 117 -5.485 -13.380 1.337 1.00 0.00 O ATOM 1627 CB MET A 117 -7.556 -11.492 1.326 1.00 0.00 C ATOM 1628 CG MET A 117 -8.681 -10.491 1.593 1.00 0.00 C ATOM 1629 SD MET A 117 -10.262 -11.315 1.522 1.00 0.00 S ATOM 1630 CE MET A 117 -10.543 -11.601 3.261 1.00 0.00 C ATOM 0 H MET A 117 -5.067 -10.695 2.445 1.00 0.00 H new ATOM 0 HA MET A 117 -7.524 -11.993 3.428 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.857 -11.074 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.969 -12.399 0.885 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.545 -10.031 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.647 -9.688 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.554 -11.981 3.409 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.823 -12.331 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.424 -10.665 3.807 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.972 -13.952 3.503 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.255 -15.214 3.457 1.00 0.00 C ATOM 1640 C PRO A 118 -6.039 -16.261 2.663 1.00 0.00 C ATOM 1641 O PRO A 118 -7.251 -16.139 2.496 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.052 -15.604 4.913 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.060 -14.790 5.708 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.595 -13.695 4.799 1.00 0.00 C ATOM 0 HA PRO A 118 -4.298 -15.135 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.213 -16.672 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.034 -15.388 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.873 -15.426 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.590 -14.357 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.682 -13.733 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.334 -12.706 5.175 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.314 -17.267 2.195 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.926 -18.335 1.423 1.00 0.00 C ATOM 1651 C LYS A 119 -6.055 -19.582 2.298 1.00 0.00 C ATOM 1652 O LYS A 119 -5.666 -19.570 3.464 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.149 -18.571 0.126 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.046 -18.367 -1.097 1.00 0.00 C ATOM 1655 CD LYS A 119 -5.240 -18.477 -2.393 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.754 -17.491 -3.444 1.00 0.00 C ATOM 1657 NZ LYS A 119 -6.161 -18.208 -4.673 1.00 0.00 N ATOM 0 H LYS A 119 -4.308 -17.365 2.336 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.934 -18.055 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.301 -17.888 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.744 -19.583 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.843 -19.111 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.523 -17.388 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.188 -18.280 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.305 -19.494 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.601 -16.933 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.977 -16.764 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.507 -17.524 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.344 -18.721 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.918 -18.884 -4.446 1.00 0.00 H new ATOM 1667 N ASP A 120 -6.606 -20.630 1.701 1.00 0.00 N ATOM 1668 CA ASP A 120 -6.793 -21.884 2.413 1.00 0.00 C ATOM 1669 C ASP A 120 -5.426 -22.457 2.792 1.00 0.00 C ATOM 1670 O ASP A 120 -5.187 -22.784 3.954 1.00 0.00 O ATOM 1671 CB ASP A 120 -7.511 -22.912 1.537 1.00 0.00 C ATOM 1672 CG ASP A 120 -9.021 -23.009 1.760 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -9.404 -23.493 2.847 1.00 0.00 O ATOM 1674 OD2 ASP A 120 -9.759 -22.597 0.839 1.00 0.00 O ATOM 0 H ASP A 120 -6.929 -20.636 0.733 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.395 -21.684 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.328 -22.666 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.069 -23.892 1.716 1.00 0.00 H new ATOM 1678 N SER A 121 -4.565 -22.563 1.791 1.00 0.00 N ATOM 1679 CA SER A 121 -3.229 -23.091 2.005 1.00 0.00 C ATOM 1680 C SER A 121 -3.312 -24.533 2.511 1.00 0.00 C ATOM 1681 O SER A 121 -4.316 -24.931 3.100 1.00 0.00 O ATOM 1682 CB SER A 121 -2.446 -22.226 2.994 1.00 0.00 C ATOM 1683 OG SER A 121 -1.156 -22.765 3.271 1.00 0.00 O ATOM 0 H SER A 121 -4.767 -22.292 0.829 1.00 0.00 H new ATOM 0 HA SER A 121 -2.699 -23.076 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.339 -21.220 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.009 -22.138 3.923 1.00 0.00 H new ATOM 0 HG SER A 121 -0.687 -22.183 3.905 1.00 0.00 H new ATOM 1688 N GLY A 122 -2.242 -25.276 2.264 1.00 0.00 N ATOM 1689 CA GLY A 122 -2.182 -26.664 2.686 1.00 0.00 C ATOM 1690 C GLY A 122 -2.268 -26.778 4.210 1.00 0.00 C ATOM 1691 O GLY A 122 -1.344 -26.382 4.919 1.00 0.00 O ATOM 0 H GLY A 122 -1.410 -24.942 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.999 -27.222 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.253 -27.115 2.336 1.00 0.00 H new ATOM 1695 N PRO A 123 -3.416 -27.334 4.682 1.00 0.00 N ATOM 1696 CA PRO A 123 -3.634 -27.504 6.108 1.00 0.00 C ATOM 1697 C PRO A 123 -2.806 -28.668 6.655 1.00 0.00 C ATOM 1698 O PRO A 123 -2.878 -29.783 6.141 1.00 0.00 O ATOM 1699 CB PRO A 123 -5.132 -27.722 6.252 1.00 0.00 C ATOM 1700 CG PRO A 123 -5.629 -28.129 4.876 1.00 0.00 C ATOM 1701 CD PRO A 123 -4.532 -27.815 3.872 1.00 0.00 C ATOM 0 HA PRO A 123 -3.312 -26.640 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.345 -28.497 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -5.628 -26.813 6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -5.871 -29.192 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -6.542 -27.589 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.254 -28.700 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -4.855 -27.060 3.155 1.00 0.00 H new ATOM 1706 N SER A 124 -2.036 -28.369 7.691 1.00 0.00 N ATOM 1707 CA SER A 124 -1.193 -29.374 8.313 1.00 0.00 C ATOM 1708 C SER A 124 -0.644 -28.849 9.640 1.00 0.00 C ATOM 1709 O SER A 124 0.325 -28.092 9.659 1.00 0.00 O ATOM 1710 CB SER A 124 -0.044 -29.782 7.387 1.00 0.00 C ATOM 1711 OG SER A 124 0.708 -28.657 6.945 1.00 0.00 O ATOM 0 H SER A 124 -1.979 -27.443 8.115 1.00 0.00 H new ATOM 0 HA SER A 124 -1.801 -30.258 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.614 -30.476 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.445 -30.312 6.523 1.00 0.00 H new ATOM 0 HG SER A 124 0.857 -28.047 7.697 1.00 0.00 H new ATOM 1716 N SER A 125 -1.286 -29.274 10.719 1.00 0.00 N ATOM 1717 CA SER A 125 -0.873 -28.855 12.049 1.00 0.00 C ATOM 1718 C SER A 125 0.639 -29.025 12.205 1.00 0.00 C ATOM 1719 O SER A 125 1.354 -28.053 12.449 1.00 0.00 O ATOM 1720 CB SER A 125 -1.610 -29.649 13.129 1.00 0.00 C ATOM 1721 OG SER A 125 -2.213 -28.797 14.100 1.00 0.00 O ATOM 0 H SER A 125 -2.088 -29.904 10.700 1.00 0.00 H new ATOM 0 HA SER A 125 -1.128 -27.802 12.171 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.377 -30.268 12.664 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.911 -30.324 13.623 1.00 0.00 H new ATOM 0 HG SER A 125 -2.675 -29.342 14.771 1.00 0.00 H new ATOM 1726 N GLY A 126 1.083 -30.264 12.056 1.00 0.00 N ATOM 1727 CA GLY A 126 2.498 -30.573 12.178 1.00 0.00 C ATOM 1728 C GLY A 126 2.753 -31.522 13.350 1.00 0.00 C ATOM 1729 O GLY A 126 3.243 -32.634 13.157 1.00 0.00 O ATOM 0 H GLY A 126 0.488 -31.067 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.856 -31.027 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.064 -29.652 12.321 1.00 0.00 H new TER 1733 GLY A 126