USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN : amide:sc= -0.26 K(o=-1.6,f=-6) USER MOD Set 1.2: A 79 MET CE :methyl -163:sc= -1.37 (180deg=-2.59) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0167 (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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.72) USER MOD Single : A 19 TYR OH : rot 29:sc= 0.0614 USER MOD Single : A 20 SER OG : rot 39:sc= 0.126 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0.0135 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0.0136 (180deg=0.00358) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.488 K(o=0.49,f=-4.7!) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.153) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.4! C(o=-5.4!,f=-7.5!) USER MOD Single : A 75 THR OG1 : rot 20:sc= -2.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0764 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.742 10.682 11.465 1.00 0.00 N ATOM 2 CA GLY A 1 11.119 10.906 10.079 1.00 0.00 C ATOM 3 C GLY A 1 12.627 10.738 9.887 1.00 0.00 C ATOM 4 O GLY A 1 13.415 11.167 10.728 1.00 0.00 O ATOM 0 H1 GLY A 1 10.005 11.363 11.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.377 9.714 11.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.574 10.808 12.076 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.587 10.205 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.820 11.909 9.774 1.00 0.00 H new ATOM 8 N SER A 2 12.984 10.114 8.774 1.00 0.00 N ATOM 9 CA SER A 2 14.384 9.884 8.461 1.00 0.00 C ATOM 10 C SER A 2 14.634 10.131 6.972 1.00 0.00 C ATOM 11 O SER A 2 13.815 9.762 6.131 1.00 0.00 O ATOM 12 CB SER A 2 14.808 8.464 8.842 1.00 0.00 C ATOM 13 OG SER A 2 16.220 8.290 8.764 1.00 0.00 O ATOM 0 H SER A 2 12.328 9.761 8.078 1.00 0.00 H new ATOM 0 HA SER A 2 14.984 10.582 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.471 8.244 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.317 7.749 8.181 1.00 0.00 H new ATOM 0 HG SER A 2 16.451 7.372 9.016 1.00 0.00 H new ATOM 19 N SER A 3 15.769 10.754 6.690 1.00 0.00 N ATOM 20 CA SER A 3 16.137 11.054 5.317 1.00 0.00 C ATOM 21 C SER A 3 16.230 9.761 4.505 1.00 0.00 C ATOM 22 O SER A 3 16.636 8.723 5.028 1.00 0.00 O ATOM 23 CB SER A 3 17.463 11.815 5.256 1.00 0.00 C ATOM 24 OG SER A 3 17.281 13.173 4.865 1.00 0.00 O ATOM 0 H SER A 3 16.446 11.059 7.389 1.00 0.00 H new ATOM 0 HA SER A 3 15.363 11.690 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.946 11.780 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.132 11.321 4.551 1.00 0.00 H new ATOM 0 HG SER A 3 18.150 13.625 4.840 1.00 0.00 H new ATOM 30 N GLY A 4 15.848 9.864 3.241 1.00 0.00 N ATOM 31 CA GLY A 4 15.884 8.716 2.352 1.00 0.00 C ATOM 32 C GLY A 4 16.485 9.090 0.996 1.00 0.00 C ATOM 33 O GLY A 4 17.703 9.200 0.862 1.00 0.00 O ATOM 0 H GLY A 4 15.512 10.726 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.472 7.918 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.875 8.329 2.212 1.00 0.00 H new ATOM 37 N SER A 5 15.604 9.277 0.024 1.00 0.00 N ATOM 38 CA SER A 5 16.032 9.637 -1.316 1.00 0.00 C ATOM 39 C SER A 5 14.874 10.280 -2.081 1.00 0.00 C ATOM 40 O SER A 5 13.712 10.113 -1.712 1.00 0.00 O ATOM 41 CB SER A 5 16.555 8.415 -2.074 1.00 0.00 C ATOM 42 OG SER A 5 17.845 8.646 -2.635 1.00 0.00 O ATOM 0 H SER A 5 14.595 9.186 0.139 1.00 0.00 H new ATOM 0 HA SER A 5 16.847 10.356 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.601 7.561 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.856 8.155 -2.868 1.00 0.00 H new ATOM 0 HG SER A 5 18.144 7.842 -3.109 1.00 0.00 H new ATOM 48 N SER A 6 15.230 11.002 -3.134 1.00 0.00 N ATOM 49 CA SER A 6 14.234 11.671 -3.954 1.00 0.00 C ATOM 50 C SER A 6 13.026 10.755 -4.162 1.00 0.00 C ATOM 51 O SER A 6 13.168 9.534 -4.199 1.00 0.00 O ATOM 52 CB SER A 6 14.822 12.089 -5.303 1.00 0.00 C ATOM 53 OG SER A 6 15.190 13.465 -5.322 1.00 0.00 O ATOM 0 H SER A 6 16.194 11.138 -3.438 1.00 0.00 H new ATOM 0 HA SER A 6 13.912 12.573 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.697 11.477 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.093 11.898 -6.091 1.00 0.00 H new ATOM 0 HG SER A 6 15.563 13.692 -6.200 1.00 0.00 H new ATOM 59 N GLY A 7 11.865 11.380 -4.292 1.00 0.00 N ATOM 60 CA GLY A 7 10.634 10.636 -4.495 1.00 0.00 C ATOM 61 C GLY A 7 9.908 10.404 -3.169 1.00 0.00 C ATOM 62 O GLY A 7 10.216 11.049 -2.168 1.00 0.00 O ATOM 0 H GLY A 7 11.751 12.393 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.984 11.182 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.857 9.678 -4.964 1.00 0.00 H new ATOM 66 N LEU A 8 8.959 9.481 -3.204 1.00 0.00 N ATOM 67 CA LEU A 8 8.187 9.155 -2.017 1.00 0.00 C ATOM 68 C LEU A 8 8.176 7.638 -1.821 1.00 0.00 C ATOM 69 O LEU A 8 7.380 6.934 -2.439 1.00 0.00 O ATOM 70 CB LEU A 8 6.790 9.774 -2.100 1.00 0.00 C ATOM 71 CG LEU A 8 6.086 10.023 -0.764 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.577 11.321 -0.120 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.566 10.007 -0.934 1.00 0.00 C ATOM 0 H LEU A 8 8.707 8.948 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 8 8.651 9.588 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.866 10.723 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.160 9.121 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 8 6.342 9.209 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.061 11.475 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.650 11.256 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.370 12.159 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.090 10.186 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.270 10.787 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.253 9.036 -1.318 1.00 0.00 H new ATOM 85 N PRO A 9 9.094 7.167 -0.934 1.00 0.00 N ATOM 86 CA PRO A 9 9.197 5.746 -0.649 1.00 0.00 C ATOM 87 C PRO A 9 8.045 5.280 0.244 1.00 0.00 C ATOM 88 O PRO A 9 7.677 5.965 1.197 1.00 0.00 O ATOM 89 CB PRO A 9 10.560 5.574 0.003 1.00 0.00 C ATOM 90 CG PRO A 9 10.971 6.957 0.480 1.00 0.00 C ATOM 91 CD PRO A 9 10.053 7.971 -0.183 1.00 0.00 C ATOM 0 HA PRO A 9 9.117 5.131 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.509 4.873 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.285 5.174 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.894 7.025 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.011 7.157 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.553 8.595 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.610 8.639 -0.840 1.00 0.00 H new ATOM 99 N ILE A 10 7.507 4.119 -0.097 1.00 0.00 N ATOM 100 CA ILE A 10 6.404 3.553 0.661 1.00 0.00 C ATOM 101 C ILE A 10 6.714 2.092 0.992 1.00 0.00 C ATOM 102 O ILE A 10 6.751 1.245 0.101 1.00 0.00 O ATOM 103 CB ILE A 10 5.084 3.748 -0.088 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.697 5.227 -0.143 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.975 2.887 0.522 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.643 5.478 -1.223 1.00 0.00 C ATOM 0 H ILE A 10 7.814 3.554 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 10 6.286 4.076 1.610 1.00 0.00 H new ATOM 0 HB ILE A 10 5.223 3.414 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.311 5.542 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.582 5.831 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.048 3.044 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.257 1.836 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.829 3.167 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.386 6.537 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.041 5.185 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.751 4.891 -1.004 1.00 0.00 H new ATOM 118 N ILE A 11 6.928 1.842 2.275 1.00 0.00 N ATOM 119 CA ILE A 11 7.233 0.498 2.735 1.00 0.00 C ATOM 120 C ILE A 11 5.938 -0.200 3.152 1.00 0.00 C ATOM 121 O ILE A 11 5.060 0.419 3.751 1.00 0.00 O ATOM 122 CB ILE A 11 8.293 0.537 3.838 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.559 1.249 3.356 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.591 -0.869 4.362 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.476 1.592 4.532 1.00 0.00 C ATOM 0 H ILE A 11 6.896 2.548 3.011 1.00 0.00 H new ATOM 0 HA ILE A 11 7.667 -0.091 1.928 1.00 0.00 H new ATOM 0 HB ILE A 11 7.896 1.114 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.091 0.613 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.288 2.161 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.347 -0.813 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.679 -1.306 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.959 -1.491 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.368 2.097 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.949 2.247 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.765 0.676 5.047 1.00 0.00 H new ATOM 137 N VAL A 12 5.859 -1.480 2.819 1.00 0.00 N ATOM 138 CA VAL A 12 4.685 -2.270 3.151 1.00 0.00 C ATOM 139 C VAL A 12 5.122 -3.545 3.876 1.00 0.00 C ATOM 140 O VAL A 12 6.192 -4.085 3.599 1.00 0.00 O ATOM 141 CB VAL A 12 3.868 -2.550 1.888 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.474 -3.071 2.242 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.780 -1.304 1.005 1.00 0.00 C ATOM 0 H VAL A 12 6.589 -1.990 2.322 1.00 0.00 H new ATOM 0 HA VAL A 12 4.032 -1.719 3.828 1.00 0.00 H new ATOM 0 HB VAL A 12 4.382 -3.326 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.914 -3.262 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.565 -3.996 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.948 -2.327 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.194 -1.530 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.300 -0.498 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.783 -0.995 0.711 1.00 0.00 H new ATOM 153 N LYS A 13 4.271 -3.989 4.789 1.00 0.00 N ATOM 154 CA LYS A 13 4.556 -5.190 5.555 1.00 0.00 C ATOM 155 C LYS A 13 3.544 -6.277 5.186 1.00 0.00 C ATOM 156 O LYS A 13 2.342 -6.021 5.140 1.00 0.00 O ATOM 157 CB LYS A 13 4.600 -4.873 7.052 1.00 0.00 C ATOM 158 CG LYS A 13 5.974 -5.198 7.641 1.00 0.00 C ATOM 159 CD LYS A 13 5.844 -6.096 8.873 1.00 0.00 C ATOM 160 CE LYS A 13 7.136 -6.093 9.692 1.00 0.00 C ATOM 161 NZ LYS A 13 7.663 -7.468 9.834 1.00 0.00 N ATOM 0 H LYS A 13 3.384 -3.539 5.015 1.00 0.00 H new ATOM 0 HA LYS A 13 5.544 -5.576 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.372 -3.819 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.833 -5.447 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.588 -5.693 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.485 -4.274 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.016 -5.752 9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.608 -7.114 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.880 -5.461 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.948 -5.666 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.540 -7.448 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.959 -8.062 10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.861 -7.863 8.892 1.00 0.00 H new ATOM 175 N TRP A 14 4.068 -7.467 4.933 1.00 0.00 N ATOM 176 CA TRP A 14 3.226 -8.594 4.569 1.00 0.00 C ATOM 177 C TRP A 14 3.746 -9.830 5.305 1.00 0.00 C ATOM 178 O TRP A 14 4.771 -10.396 4.927 1.00 0.00 O ATOM 179 CB TRP A 14 3.180 -8.776 3.051 1.00 0.00 C ATOM 180 CG TRP A 14 2.073 -9.717 2.571 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.797 -9.766 2.978 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.195 -10.748 1.568 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.091 -10.750 2.315 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.969 -11.366 1.431 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.306 -11.146 0.803 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.736 -12.417 0.536 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.057 -12.198 -0.086 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.828 -12.830 -0.237 1.00 0.00 C ATOM 0 H TRP A 14 5.066 -7.676 4.973 1.00 0.00 H new ATOM 0 HA TRP A 14 2.194 -8.418 4.872 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.043 -7.801 2.582 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.142 -9.160 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.374 -9.117 3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.893 -10.982 2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.275 -10.677 0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.234 -12.884 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.877 -12.543 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.716 -13.636 -0.947 1.00 0.00 H new ATOM 199 N GLY A 15 3.017 -10.213 6.342 1.00 0.00 N ATOM 200 CA GLY A 15 3.392 -11.372 7.134 1.00 0.00 C ATOM 201 C GLY A 15 4.795 -11.205 7.720 1.00 0.00 C ATOM 202 O GLY A 15 4.952 -10.703 8.832 1.00 0.00 O ATOM 0 H GLY A 15 2.168 -9.741 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.672 -11.515 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.357 -12.268 6.514 1.00 0.00 H new ATOM 206 N GLY A 16 5.780 -11.634 6.945 1.00 0.00 N ATOM 207 CA GLY A 16 7.166 -11.538 7.373 1.00 0.00 C ATOM 208 C GLY A 16 8.052 -11.006 6.246 1.00 0.00 C ATOM 209 O GLY A 16 9.247 -11.295 6.202 1.00 0.00 O ATOM 0 H GLY A 16 5.646 -12.049 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.238 -10.880 8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.522 -12.519 7.688 1.00 0.00 H new ATOM 213 N GLN A 17 7.433 -10.238 5.361 1.00 0.00 N ATOM 214 CA GLN A 17 8.151 -9.663 4.237 1.00 0.00 C ATOM 215 C GLN A 17 7.781 -8.188 4.070 1.00 0.00 C ATOM 216 O GLN A 17 6.603 -7.834 4.082 1.00 0.00 O ATOM 217 CB GLN A 17 7.876 -10.446 2.952 1.00 0.00 C ATOM 218 CG GLN A 17 8.772 -11.682 2.860 1.00 0.00 C ATOM 219 CD GLN A 17 8.307 -12.616 1.741 1.00 0.00 C ATOM 220 OE1 GLN A 17 7.125 -12.810 1.511 1.00 0.00 O ATOM 221 NE2 GLN A 17 9.300 -13.180 1.059 1.00 0.00 N ATOM 0 H GLN A 17 6.442 -10.001 5.400 1.00 0.00 H new ATOM 0 HA GLN A 17 9.220 -9.729 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.829 -10.749 2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.046 -9.804 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.802 -11.376 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.761 -12.215 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.268 -12.974 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.093 -13.818 0.291 1.00 0.00 H new ATOM 230 N GLU A 18 8.810 -7.366 3.918 1.00 0.00 N ATOM 231 CA GLU A 18 8.608 -5.937 3.748 1.00 0.00 C ATOM 232 C GLU A 18 8.935 -5.522 2.313 1.00 0.00 C ATOM 233 O GLU A 18 9.998 -5.856 1.793 1.00 0.00 O ATOM 234 CB GLU A 18 9.444 -5.143 4.754 1.00 0.00 C ATOM 235 CG GLU A 18 8.909 -5.322 6.176 1.00 0.00 C ATOM 236 CD GLU A 18 10.043 -5.255 7.201 1.00 0.00 C ATOM 237 OE1 GLU A 18 10.995 -6.050 7.047 1.00 0.00 O ATOM 238 OE2 GLU A 18 9.931 -4.410 8.115 1.00 0.00 O ATOM 0 H GLU A 18 9.786 -7.663 3.909 1.00 0.00 H new ATOM 0 HA GLU A 18 7.559 -5.712 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.482 -5.472 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.432 -4.086 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.173 -4.548 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.396 -6.280 6.258 1.00 0.00 H new ATOM 245 N TYR A 19 8.001 -4.798 1.713 1.00 0.00 N ATOM 246 CA TYR A 19 8.177 -4.333 0.348 1.00 0.00 C ATOM 247 C TYR A 19 8.445 -2.827 0.312 1.00 0.00 C ATOM 248 O TYR A 19 7.830 -2.065 1.056 1.00 0.00 O ATOM 249 CB TYR A 19 6.856 -4.621 -0.369 1.00 0.00 C ATOM 250 CG TYR A 19 6.593 -6.108 -0.614 1.00 0.00 C ATOM 251 CD1 TYR A 19 5.964 -6.865 0.354 1.00 0.00 C ATOM 252 CD2 TYR A 19 6.983 -6.692 -1.801 1.00 0.00 C ATOM 253 CE1 TYR A 19 5.715 -8.265 0.124 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.735 -8.092 -2.031 1.00 0.00 C ATOM 255 CZ TYR A 19 6.113 -8.809 -1.057 1.00 0.00 C ATOM 256 OH TYR A 19 5.879 -10.131 -1.274 1.00 0.00 O ATOM 0 H TYR A 19 7.120 -4.522 2.147 1.00 0.00 H new ATOM 0 HA TYR A 19 9.025 -4.832 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.037 -4.210 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.852 -4.099 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.659 -6.408 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.475 -6.099 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.223 -8.869 0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.036 -8.562 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 19 5.082 -10.408 -0.775 1.00 0.00 H new ATOM 266 N SER A 20 9.365 -2.443 -0.562 1.00 0.00 N ATOM 267 CA SER A 20 9.722 -1.042 -0.705 1.00 0.00 C ATOM 268 C SER A 20 9.197 -0.501 -2.036 1.00 0.00 C ATOM 269 O SER A 20 9.547 -1.013 -3.099 1.00 0.00 O ATOM 270 CB SER A 20 11.237 -0.847 -0.613 1.00 0.00 C ATOM 271 OG SER A 20 11.941 -1.714 -1.498 1.00 0.00 O ATOM 0 H SER A 20 9.873 -3.078 -1.178 1.00 0.00 H new ATOM 0 HA SER A 20 9.261 -0.487 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.484 0.189 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.565 -1.030 0.410 1.00 0.00 H new ATOM 0 HG SER A 20 11.452 -1.785 -2.344 1.00 0.00 H new ATOM 277 N VAL A 21 8.367 0.527 -1.935 1.00 0.00 N ATOM 278 CA VAL A 21 7.791 1.142 -3.119 1.00 0.00 C ATOM 279 C VAL A 21 8.480 2.483 -3.378 1.00 0.00 C ATOM 280 O VAL A 21 8.407 3.392 -2.552 1.00 0.00 O ATOM 281 CB VAL A 21 6.275 1.270 -2.957 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.647 1.940 -4.181 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.635 -0.093 -2.689 1.00 0.00 C ATOM 0 H VAL A 21 8.080 0.949 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 21 7.959 0.516 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 21 6.083 1.905 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.569 2.019 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.070 2.937 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.854 1.343 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.557 0.027 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.842 -0.762 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.049 -0.516 -1.774 1.00 0.00 H new ATOM 293 N THR A 22 9.133 2.565 -4.527 1.00 0.00 N ATOM 294 CA THR A 22 9.835 3.780 -4.905 1.00 0.00 C ATOM 295 C THR A 22 9.792 3.970 -6.423 1.00 0.00 C ATOM 296 O THR A 22 10.769 4.413 -7.024 1.00 0.00 O ATOM 297 CB THR A 22 11.255 3.700 -4.343 1.00 0.00 C ATOM 298 OG1 THR A 22 11.770 2.481 -4.871 1.00 0.00 O ATOM 299 CG2 THR A 22 11.274 3.487 -2.828 1.00 0.00 C ATOM 0 H THR A 22 9.191 1.809 -5.210 1.00 0.00 H new ATOM 0 HA THR A 22 9.353 4.663 -4.484 1.00 0.00 H new ATOM 0 HB THR A 22 11.794 4.615 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.689 2.351 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.306 3.437 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.765 4.317 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.764 2.555 -2.585 1.00 0.00 H new ATOM 307 N THR A 23 8.649 3.627 -6.998 1.00 0.00 N ATOM 308 CA THR A 23 8.466 3.754 -8.434 1.00 0.00 C ATOM 309 C THR A 23 7.434 4.840 -8.746 1.00 0.00 C ATOM 310 O THR A 23 7.672 5.703 -9.589 1.00 0.00 O ATOM 311 CB THR A 23 8.086 2.379 -8.986 1.00 0.00 C ATOM 312 OG1 THR A 23 9.283 1.614 -8.867 1.00 0.00 O ATOM 313 CG2 THR A 23 7.811 2.408 -10.491 1.00 0.00 C ATOM 0 H THR A 23 7.840 3.261 -6.496 1.00 0.00 H new ATOM 0 HA THR A 23 9.386 4.073 -8.923 1.00 0.00 H new ATOM 0 HB THR A 23 7.204 2.009 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.126 0.706 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.546 1.407 -10.832 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.987 3.092 -10.697 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.704 2.746 -11.018 1.00 0.00 H new ATOM 321 N LEU A 24 6.311 4.762 -8.048 1.00 0.00 N ATOM 322 CA LEU A 24 5.242 5.727 -8.240 1.00 0.00 C ATOM 323 C LEU A 24 5.503 6.952 -7.360 1.00 0.00 C ATOM 324 O LEU A 24 6.310 6.894 -6.434 1.00 0.00 O ATOM 325 CB LEU A 24 3.880 5.074 -7.996 1.00 0.00 C ATOM 326 CG LEU A 24 3.786 4.154 -6.777 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.405 4.248 -6.124 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.147 2.714 -7.148 1.00 0.00 C ATOM 0 H LEU A 24 6.118 4.045 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 24 5.223 6.074 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.135 5.863 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.611 4.499 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 24 4.515 4.489 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.365 3.584 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.224 5.274 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.641 3.953 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.072 2.081 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.460 2.352 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.167 2.682 -7.532 1.00 0.00 H new ATOM 340 N SER A 25 4.804 8.031 -7.682 1.00 0.00 N ATOM 341 CA SER A 25 4.951 9.267 -6.932 1.00 0.00 C ATOM 342 C SER A 25 3.575 9.795 -6.521 1.00 0.00 C ATOM 343 O SER A 25 2.551 9.223 -6.889 1.00 0.00 O ATOM 344 CB SER A 25 5.701 10.321 -7.750 1.00 0.00 C ATOM 345 OG SER A 25 5.039 10.616 -8.977 1.00 0.00 O ATOM 0 H SER A 25 4.135 8.075 -8.451 1.00 0.00 H new ATOM 0 HA SER A 25 5.536 9.057 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.799 11.234 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.710 9.967 -7.959 1.00 0.00 H new ATOM 0 HG SER A 25 5.548 11.294 -9.469 1.00 0.00 H new ATOM 351 N GLU A 26 3.596 10.882 -5.763 1.00 0.00 N ATOM 352 CA GLU A 26 2.363 11.493 -5.297 1.00 0.00 C ATOM 353 C GLU A 26 1.314 11.487 -6.411 1.00 0.00 C ATOM 354 O GLU A 26 0.163 11.117 -6.182 1.00 0.00 O ATOM 355 CB GLU A 26 2.614 12.914 -4.788 1.00 0.00 C ATOM 356 CG GLU A 26 3.511 12.903 -3.549 1.00 0.00 C ATOM 357 CD GLU A 26 4.150 14.274 -3.322 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.119 14.577 -4.051 1.00 0.00 O ATOM 359 OE2 GLU A 26 3.655 14.989 -2.424 1.00 0.00 O ATOM 0 H GLU A 26 4.447 11.355 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 26 1.982 10.905 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.081 13.508 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.664 13.391 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.925 12.622 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.290 12.150 -3.666 1.00 0.00 H new ATOM 366 N ASP A 27 1.748 11.901 -7.592 1.00 0.00 N ATOM 367 CA ASP A 27 0.861 11.948 -8.741 1.00 0.00 C ATOM 368 C ASP A 27 0.004 10.681 -8.770 1.00 0.00 C ATOM 369 O ASP A 27 -1.221 10.754 -8.687 1.00 0.00 O ATOM 370 CB ASP A 27 1.655 12.012 -10.048 1.00 0.00 C ATOM 371 CG ASP A 27 0.811 12.218 -11.307 1.00 0.00 C ATOM 372 OD1 ASP A 27 -0.192 11.485 -11.445 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.189 13.104 -12.104 1.00 0.00 O ATOM 0 H ASP A 27 2.703 12.207 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 27 0.241 12.840 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.379 12.824 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.223 11.088 -10.156 1.00 0.00 H new ATOM 378 N ASP A 28 0.682 9.549 -8.889 1.00 0.00 N ATOM 379 CA ASP A 28 -0.002 8.267 -8.930 1.00 0.00 C ATOM 380 C ASP A 28 -1.008 8.194 -7.780 1.00 0.00 C ATOM 381 O ASP A 28 -0.785 8.773 -6.718 1.00 0.00 O ATOM 382 CB ASP A 28 0.986 7.110 -8.768 1.00 0.00 C ATOM 383 CG ASP A 28 1.857 6.828 -9.993 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.720 7.683 -10.286 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.641 5.762 -10.610 1.00 0.00 O ATOM 0 H ASP A 28 1.698 9.493 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.502 8.182 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.636 7.323 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.428 6.207 -8.522 1.00 0.00 H new ATOM 390 N THR A 29 -2.095 7.479 -8.031 1.00 0.00 N ATOM 391 CA THR A 29 -3.136 7.323 -7.030 1.00 0.00 C ATOM 392 C THR A 29 -2.966 5.997 -6.286 1.00 0.00 C ATOM 393 O THR A 29 -2.118 5.183 -6.647 1.00 0.00 O ATOM 394 CB THR A 29 -4.490 7.457 -7.731 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.407 6.544 -8.822 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.671 8.821 -8.399 1.00 0.00 C ATOM 0 H THR A 29 -2.277 7.001 -8.914 1.00 0.00 H new ATOM 0 HA THR A 29 -3.070 8.099 -6.267 1.00 0.00 H new ATOM 0 HB THR A 29 -5.290 7.298 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.245 6.565 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.648 8.863 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.604 9.607 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.891 8.967 -9.146 1.00 0.00 H new ATOM 404 N VAL A 30 -3.786 5.821 -5.261 1.00 0.00 N ATOM 405 CA VAL A 30 -3.737 4.608 -4.462 1.00 0.00 C ATOM 406 C VAL A 30 -3.786 3.391 -5.388 1.00 0.00 C ATOM 407 O VAL A 30 -2.934 2.508 -5.304 1.00 0.00 O ATOM 408 CB VAL A 30 -4.864 4.617 -3.427 1.00 0.00 C ATOM 409 CG1 VAL A 30 -5.003 3.249 -2.756 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.644 5.718 -2.387 1.00 0.00 C ATOM 0 H VAL A 30 -4.489 6.498 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.802 4.555 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.797 4.830 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.811 3.283 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.227 2.495 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.070 2.993 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.459 5.703 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.698 5.549 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.618 6.688 -2.884 1.00 0.00 H new ATOM 420 N LEU A 31 -4.793 3.383 -6.250 1.00 0.00 N ATOM 421 CA LEU A 31 -4.964 2.289 -7.191 1.00 0.00 C ATOM 422 C LEU A 31 -3.599 1.890 -7.756 1.00 0.00 C ATOM 423 O LEU A 31 -3.189 0.736 -7.642 1.00 0.00 O ATOM 424 CB LEU A 31 -5.989 2.661 -8.264 1.00 0.00 C ATOM 425 CG LEU A 31 -6.384 1.542 -9.230 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.466 0.648 -8.621 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.807 2.113 -10.585 1.00 0.00 C ATOM 0 H LEU A 31 -5.498 4.117 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.369 1.412 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.890 3.021 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.591 3.493 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.509 0.915 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.728 -0.139 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.092 0.199 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.350 1.246 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.083 1.297 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.661 2.776 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.978 2.673 -11.019 1.00 0.00 H new ATOM 439 N ASP A 32 -2.933 2.867 -8.354 1.00 0.00 N ATOM 440 CA ASP A 32 -1.623 2.632 -8.937 1.00 0.00 C ATOM 441 C ASP A 32 -0.795 1.764 -7.988 1.00 0.00 C ATOM 442 O ASP A 32 -0.327 0.692 -8.370 1.00 0.00 O ATOM 443 CB ASP A 32 -0.872 3.947 -9.152 1.00 0.00 C ATOM 444 CG ASP A 32 -0.603 4.308 -10.614 1.00 0.00 C ATOM 445 OD1 ASP A 32 0.317 3.688 -11.191 1.00 0.00 O ATOM 446 OD2 ASP A 32 -1.323 5.194 -11.122 1.00 0.00 O ATOM 0 H ASP A 32 -3.276 3.823 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.766 2.137 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.444 4.754 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.081 3.894 -8.626 1.00 0.00 H new ATOM 451 N LEU A 33 -0.640 2.259 -6.769 1.00 0.00 N ATOM 452 CA LEU A 33 0.123 1.541 -5.762 1.00 0.00 C ATOM 453 C LEU A 33 -0.351 0.088 -5.708 1.00 0.00 C ATOM 454 O LEU A 33 0.442 -0.835 -5.890 1.00 0.00 O ATOM 455 CB LEU A 33 0.046 2.264 -4.415 1.00 0.00 C ATOM 456 CG LEU A 33 1.041 1.803 -3.348 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.349 2.591 -3.441 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.422 1.881 -1.951 1.00 0.00 C ATOM 0 H LEU A 33 -1.030 3.148 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 33 1.180 1.522 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.197 3.330 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.962 2.145 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 33 1.282 0.757 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.039 2.244 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.796 2.440 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.146 3.652 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.150 1.548 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.133 2.910 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.459 1.241 -1.907 1.00 0.00 H new ATOM 470 N LYS A 34 -1.642 -0.071 -5.456 1.00 0.00 N ATOM 471 CA LYS A 34 -2.232 -1.397 -5.376 1.00 0.00 C ATOM 472 C LYS A 34 -1.866 -2.189 -6.632 1.00 0.00 C ATOM 473 O LYS A 34 -1.196 -3.217 -6.549 1.00 0.00 O ATOM 474 CB LYS A 34 -3.738 -1.299 -5.127 1.00 0.00 C ATOM 475 CG LYS A 34 -4.028 -0.689 -3.754 1.00 0.00 C ATOM 476 CD LYS A 34 -5.506 -0.317 -3.621 1.00 0.00 C ATOM 477 CE LYS A 34 -6.094 -0.863 -2.318 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.488 -1.313 -2.526 1.00 0.00 N ATOM 0 H LYS A 34 -2.296 0.697 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.827 -1.944 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.200 -0.690 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.186 -2.291 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.756 -1.398 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.411 0.198 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.616 0.767 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.062 -0.714 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.487 -1.694 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.066 -0.092 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.012 -1.245 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.944 -0.711 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.489 -2.300 -2.853 1.00 0.00 H new ATOM 492 N GLN A 35 -2.323 -1.681 -7.768 1.00 0.00 N ATOM 493 CA GLN A 35 -2.053 -2.329 -9.040 1.00 0.00 C ATOM 494 C GLN A 35 -0.581 -2.739 -9.125 1.00 0.00 C ATOM 495 O GLN A 35 -0.259 -3.802 -9.653 1.00 0.00 O ATOM 496 CB GLN A 35 -2.437 -1.421 -10.210 1.00 0.00 C ATOM 497 CG GLN A 35 -3.937 -1.506 -10.500 1.00 0.00 C ATOM 498 CD GLN A 35 -4.213 -1.388 -12.000 1.00 0.00 C ATOM 499 OE1 GLN A 35 -4.171 -2.354 -12.744 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.496 -0.152 -12.402 1.00 0.00 N ATOM 0 H GLN A 35 -2.878 -0.828 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.665 -3.229 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.165 -0.391 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.874 -1.708 -11.098 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.330 -2.452 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.460 -0.712 -9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.515 0.612 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.694 0.032 -13.386 1.00 0.00 H new ATOM 509 N PHE A 36 0.272 -1.875 -8.596 1.00 0.00 N ATOM 510 CA PHE A 36 1.702 -2.134 -8.605 1.00 0.00 C ATOM 511 C PHE A 36 2.071 -3.212 -7.583 1.00 0.00 C ATOM 512 O PHE A 36 2.698 -4.211 -7.929 1.00 0.00 O ATOM 513 CB PHE A 36 2.396 -0.826 -8.221 1.00 0.00 C ATOM 514 CG PHE A 36 3.902 -0.817 -8.494 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.368 -1.082 -9.744 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.773 -0.543 -7.487 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.765 -1.074 -9.997 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.171 -0.535 -7.740 1.00 0.00 C ATOM 519 CZ PHE A 36 6.637 -0.800 -8.990 1.00 0.00 C ATOM 0 H PHE A 36 0.001 -0.995 -8.158 1.00 0.00 H new ATOM 0 HA PHE A 36 2.010 -2.484 -9.590 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.933 -0.006 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.228 -0.635 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.675 -1.298 -10.544 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.402 -0.331 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.135 -1.286 -10.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.863 -0.319 -6.940 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.700 -0.793 -9.183 1.00 0.00 H new ATOM 529 N LEU A 37 1.665 -2.971 -6.345 1.00 0.00 N ATOM 530 CA LEU A 37 1.945 -3.909 -5.271 1.00 0.00 C ATOM 531 C LEU A 37 1.536 -5.317 -5.709 1.00 0.00 C ATOM 532 O LEU A 37 2.148 -6.301 -5.297 1.00 0.00 O ATOM 533 CB LEU A 37 1.277 -3.451 -3.973 1.00 0.00 C ATOM 534 CG LEU A 37 1.683 -2.067 -3.462 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.510 -1.373 -2.767 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.914 -2.155 -2.557 1.00 0.00 C ATOM 0 H LEU A 37 1.145 -2.141 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 37 3.014 -3.938 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.197 -3.460 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.498 -4.183 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 37 1.958 -1.454 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.826 -0.391 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.314 -1.257 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.181 -1.975 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.181 -1.158 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.691 -2.792 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.748 -2.579 -3.117 1.00 0.00 H new ATOM 548 N LYS A 38 0.505 -5.367 -6.539 1.00 0.00 N ATOM 549 CA LYS A 38 0.007 -6.638 -7.037 1.00 0.00 C ATOM 550 C LYS A 38 1.168 -7.438 -7.632 1.00 0.00 C ATOM 551 O LYS A 38 1.199 -8.663 -7.531 1.00 0.00 O ATOM 552 CB LYS A 38 -1.149 -6.415 -8.014 1.00 0.00 C ATOM 553 CG LYS A 38 -1.666 -7.745 -8.565 1.00 0.00 C ATOM 554 CD LYS A 38 -2.987 -7.553 -9.313 1.00 0.00 C ATOM 555 CE LYS A 38 -2.927 -8.187 -10.704 1.00 0.00 C ATOM 556 NZ LYS A 38 -4.234 -8.061 -11.388 1.00 0.00 N ATOM 0 H LYS A 38 0.001 -4.548 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.405 -7.231 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.959 -5.887 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.818 -5.781 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.924 -8.178 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.807 -8.451 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.801 -7.999 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.206 -6.489 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.151 -7.703 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.654 -9.239 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.176 -8.496 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.966 -8.543 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.479 -7.055 -11.486 1.00 0.00 H new ATOM 570 N THR A 39 2.095 -6.712 -8.239 1.00 0.00 N ATOM 571 CA THR A 39 3.256 -7.338 -8.849 1.00 0.00 C ATOM 572 C THR A 39 4.346 -7.576 -7.802 1.00 0.00 C ATOM 573 O THR A 39 5.158 -8.489 -7.943 1.00 0.00 O ATOM 574 CB THR A 39 3.713 -6.455 -10.012 1.00 0.00 C ATOM 575 OG1 THR A 39 4.192 -7.381 -10.983 1.00 0.00 O ATOM 576 CG2 THR A 39 4.942 -5.614 -9.660 1.00 0.00 C ATOM 0 H THR A 39 2.066 -5.696 -8.322 1.00 0.00 H new ATOM 0 HA THR A 39 3.011 -8.323 -9.246 1.00 0.00 H new ATOM 0 HB THR A 39 2.897 -5.797 -10.312 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.507 -6.893 -11.773 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.225 -5.006 -10.519 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.709 -4.964 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.769 -6.272 -9.393 1.00 0.00 H new ATOM 584 N LEU A 40 4.328 -6.740 -6.775 1.00 0.00 N ATOM 585 CA LEU A 40 5.305 -6.848 -5.705 1.00 0.00 C ATOM 586 C LEU A 40 5.069 -8.149 -4.935 1.00 0.00 C ATOM 587 O LEU A 40 5.963 -8.989 -4.839 1.00 0.00 O ATOM 588 CB LEU A 40 5.275 -5.598 -4.824 1.00 0.00 C ATOM 589 CG LEU A 40 5.902 -4.338 -5.425 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.552 -3.102 -4.595 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.413 -4.505 -5.596 1.00 0.00 C ATOM 0 H LEU A 40 3.652 -5.985 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 40 6.314 -6.897 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.237 -5.379 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.788 -5.824 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 40 5.481 -4.188 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.010 -2.221 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.470 -2.975 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.927 -3.228 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.833 -3.595 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.870 -4.693 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.613 -5.346 -6.260 1.00 0.00 H new ATOM 603 N THR A 41 3.861 -8.275 -4.405 1.00 0.00 N ATOM 604 CA THR A 41 3.497 -9.459 -3.646 1.00 0.00 C ATOM 605 C THR A 41 2.930 -10.534 -4.576 1.00 0.00 C ATOM 606 O THR A 41 3.561 -11.568 -4.792 1.00 0.00 O ATOM 607 CB THR A 41 2.524 -9.034 -2.545 1.00 0.00 C ATOM 608 OG1 THR A 41 1.393 -8.535 -3.254 1.00 0.00 O ATOM 609 CG2 THR A 41 3.029 -7.827 -1.751 1.00 0.00 C ATOM 0 H THR A 41 3.122 -7.577 -4.486 1.00 0.00 H new ATOM 0 HA THR A 41 4.369 -9.909 -3.173 1.00 0.00 H new ATOM 0 HB THR A 41 2.356 -9.870 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.711 -8.239 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.301 -7.567 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.981 -8.073 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.165 -6.980 -2.424 1.00 0.00 H new ATOM 617 N GLY A 42 1.747 -10.253 -5.101 1.00 0.00 N ATOM 618 CA GLY A 42 1.088 -11.184 -6.002 1.00 0.00 C ATOM 619 C GLY A 42 -0.346 -11.465 -5.548 1.00 0.00 C ATOM 620 O GLY A 42 -0.805 -12.605 -5.599 1.00 0.00 O ATOM 0 H GLY A 42 1.227 -9.394 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.080 -10.774 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.650 -12.117 -6.041 1.00 0.00 H new ATOM 624 N VAL A 43 -1.013 -10.406 -5.113 1.00 0.00 N ATOM 625 CA VAL A 43 -2.386 -10.524 -4.650 1.00 0.00 C ATOM 626 C VAL A 43 -3.231 -9.419 -5.287 1.00 0.00 C ATOM 627 O VAL A 43 -2.763 -8.293 -5.455 1.00 0.00 O ATOM 628 CB VAL A 43 -2.426 -10.502 -3.121 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.867 -10.546 -2.610 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.600 -11.649 -2.535 1.00 0.00 C ATOM 0 H VAL A 43 -0.628 -9.462 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.813 -11.478 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.981 -9.565 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.867 -10.529 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.413 -9.681 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.349 -11.459 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.645 -11.611 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.002 -12.601 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.564 -11.554 -2.859 1.00 0.00 H new ATOM 640 N LEU A 44 -4.461 -9.778 -5.623 1.00 0.00 N ATOM 641 CA LEU A 44 -5.376 -8.831 -6.237 1.00 0.00 C ATOM 642 C LEU A 44 -5.366 -7.527 -5.437 1.00 0.00 C ATOM 643 O LEU A 44 -5.053 -7.527 -4.247 1.00 0.00 O ATOM 644 CB LEU A 44 -6.767 -9.450 -6.387 1.00 0.00 C ATOM 645 CG LEU A 44 -6.836 -10.765 -7.166 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.214 -11.414 -7.025 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.448 -10.555 -8.631 1.00 0.00 C ATOM 0 H LEU A 44 -4.846 -10.712 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.050 -8.588 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.177 -9.619 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.414 -8.725 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.110 -11.455 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.236 -12.347 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.413 -11.620 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.976 -10.738 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.505 -11.505 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.132 -9.841 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.430 -10.169 -8.686 1.00 0.00 H new ATOM 659 N PRO A 45 -5.722 -6.418 -6.139 1.00 0.00 N ATOM 660 CA PRO A 45 -5.757 -5.111 -5.507 1.00 0.00 C ATOM 661 C PRO A 45 -6.982 -4.972 -4.601 1.00 0.00 C ATOM 662 O PRO A 45 -6.880 -4.461 -3.487 1.00 0.00 O ATOM 663 CB PRO A 45 -5.754 -4.117 -6.658 1.00 0.00 C ATOM 664 CG PRO A 45 -6.185 -4.901 -7.886 1.00 0.00 C ATOM 665 CD PRO A 45 -6.100 -6.381 -7.549 1.00 0.00 C ATOM 0 HA PRO A 45 -4.906 -4.940 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.437 -3.291 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.763 -3.685 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.202 -4.633 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.542 -4.665 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.054 -6.881 -7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.361 -6.887 -8.171 1.00 0.00 H new ATOM 673 N GLU A 46 -8.113 -5.436 -5.114 1.00 0.00 N ATOM 674 CA GLU A 46 -9.356 -5.370 -4.365 1.00 0.00 C ATOM 675 C GLU A 46 -9.245 -6.191 -3.078 1.00 0.00 C ATOM 676 O GLU A 46 -9.830 -5.833 -2.057 1.00 0.00 O ATOM 677 CB GLU A 46 -10.535 -5.844 -5.217 1.00 0.00 C ATOM 678 CG GLU A 46 -10.409 -7.332 -5.549 1.00 0.00 C ATOM 679 CD GLU A 46 -11.463 -7.757 -6.573 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.619 -7.964 -6.145 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.090 -7.865 -7.761 1.00 0.00 O ATOM 0 H GLU A 46 -8.194 -5.859 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.540 -4.330 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.469 -5.665 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.578 -5.264 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.413 -7.538 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.522 -7.922 -4.639 1.00 0.00 H new ATOM 688 N ARG A 47 -8.491 -7.276 -3.170 1.00 0.00 N ATOM 689 CA ARG A 47 -8.295 -8.151 -2.026 1.00 0.00 C ATOM 690 C ARG A 47 -7.269 -7.547 -1.065 1.00 0.00 C ATOM 691 O ARG A 47 -7.470 -7.556 0.149 1.00 0.00 O ATOM 692 CB ARG A 47 -7.817 -9.536 -2.466 1.00 0.00 C ATOM 693 CG ARG A 47 -8.943 -10.311 -3.154 1.00 0.00 C ATOM 694 CD ARG A 47 -9.145 -11.679 -2.500 1.00 0.00 C ATOM 695 NE ARG A 47 -10.573 -11.873 -2.163 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.559 -11.921 -3.069 1.00 0.00 C ATOM 697 NH1 ARG A 47 -11.278 -11.790 -4.373 1.00 0.00 N ATOM 698 NH2 ARG A 47 -12.826 -12.100 -2.672 1.00 0.00 N ATOM 0 H ARG A 47 -8.008 -7.570 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.255 -8.254 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.972 -9.434 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.463 -10.095 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.869 -9.738 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.708 -10.440 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.812 -12.467 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.537 -11.754 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.822 -11.977 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.314 -11.654 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.029 -11.827 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.040 -12.200 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.576 -12.136 -3.362 1.00 0.00 H new ATOM 712 N GLN A 48 -6.193 -7.036 -1.644 1.00 0.00 N ATOM 713 CA GLN A 48 -5.135 -6.428 -0.854 1.00 0.00 C ATOM 714 C GLN A 48 -5.723 -5.418 0.132 1.00 0.00 C ATOM 715 O GLN A 48 -6.475 -4.527 -0.260 1.00 0.00 O ATOM 716 CB GLN A 48 -4.088 -5.770 -1.754 1.00 0.00 C ATOM 717 CG GLN A 48 -2.980 -6.760 -2.120 1.00 0.00 C ATOM 718 CD GLN A 48 -1.759 -6.031 -2.686 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.703 -5.971 -2.078 1.00 0.00 O ATOM 720 NE2 GLN A 48 -1.961 -5.483 -3.881 1.00 0.00 N ATOM 0 H GLN A 48 -6.030 -7.030 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.636 -7.213 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.564 -5.400 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.657 -4.907 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.691 -7.330 -1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.354 -7.475 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.870 -5.571 -4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.207 -4.975 -4.343 1.00 0.00 H new ATOM 729 N LYS A 49 -5.358 -5.589 1.395 1.00 0.00 N ATOM 730 CA LYS A 49 -5.840 -4.703 2.440 1.00 0.00 C ATOM 731 C LYS A 49 -4.672 -3.877 2.981 1.00 0.00 C ATOM 732 O LYS A 49 -3.646 -4.429 3.376 1.00 0.00 O ATOM 733 CB LYS A 49 -6.581 -5.498 3.517 1.00 0.00 C ATOM 734 CG LYS A 49 -7.963 -4.900 3.787 1.00 0.00 C ATOM 735 CD LYS A 49 -7.985 -4.149 5.120 1.00 0.00 C ATOM 736 CE LYS A 49 -7.212 -2.833 5.021 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.942 -1.750 5.717 1.00 0.00 N ATOM 0 H LYS A 49 -4.734 -6.329 1.717 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.569 -4.000 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.685 -6.536 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.997 -5.503 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.234 -4.221 2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.710 -5.693 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.016 -3.948 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.549 -4.773 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.221 -2.952 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.067 -2.567 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.301 -0.947 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.744 -1.440 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.295 -2.101 6.630 1.00 0.00 H new ATOM 751 N LEU A 50 -4.866 -2.566 2.982 1.00 0.00 N ATOM 752 CA LEU A 50 -3.841 -1.658 3.468 1.00 0.00 C ATOM 753 C LEU A 50 -4.135 -1.296 4.925 1.00 0.00 C ATOM 754 O LEU A 50 -5.094 -0.579 5.208 1.00 0.00 O ATOM 755 CB LEU A 50 -3.720 -0.444 2.545 1.00 0.00 C ATOM 756 CG LEU A 50 -3.458 -0.747 1.068 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.948 0.496 0.335 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.507 -1.935 0.912 1.00 0.00 C ATOM 0 H LEU A 50 -5.718 -2.111 2.654 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.864 -2.142 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.640 0.136 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.913 0.189 2.914 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.403 -1.029 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.770 0.253 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.693 1.289 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.018 0.832 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.338 -2.129 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.557 -1.707 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.948 -2.817 1.377 1.00 0.00 H new ATOM 770 N LEU A 51 -3.294 -1.809 5.810 1.00 0.00 N ATOM 771 CA LEU A 51 -3.452 -1.549 7.231 1.00 0.00 C ATOM 772 C LEU A 51 -2.423 -0.505 7.671 1.00 0.00 C ATOM 773 O LEU A 51 -1.219 -0.729 7.559 1.00 0.00 O ATOM 774 CB LEU A 51 -3.383 -2.854 8.026 1.00 0.00 C ATOM 775 CG LEU A 51 -4.611 -3.188 8.875 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.522 -4.182 8.153 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.199 -3.689 10.261 1.00 0.00 C ATOM 0 H LEU A 51 -2.501 -2.404 5.571 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.438 -1.131 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.215 -3.674 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.513 -2.811 8.682 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.185 -2.273 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.387 -4.403 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.856 -3.750 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.972 -5.103 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.090 -3.919 10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.591 -4.588 10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.622 -2.917 10.770 1.00 0.00 H new ATOM 789 N GLY A 52 -2.935 0.613 8.164 1.00 0.00 N ATOM 790 CA GLY A 52 -2.076 1.691 8.622 1.00 0.00 C ATOM 791 C GLY A 52 -2.677 3.055 8.278 1.00 0.00 C ATOM 792 O GLY A 52 -2.740 3.942 9.128 1.00 0.00 O ATOM 0 H GLY A 52 -3.934 0.795 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.933 1.614 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.092 1.597 8.163 1.00 0.00 H new ATOM 796 N LEU A 53 -3.105 3.180 7.031 1.00 0.00 N ATOM 797 CA LEU A 53 -3.699 4.421 6.564 1.00 0.00 C ATOM 798 C LEU A 53 -5.208 4.229 6.401 1.00 0.00 C ATOM 799 O LEU A 53 -5.650 3.405 5.602 1.00 0.00 O ATOM 800 CB LEU A 53 -3.000 4.905 5.292 1.00 0.00 C ATOM 801 CG LEU A 53 -2.887 3.884 4.158 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.336 4.491 2.827 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.472 3.308 4.078 1.00 0.00 C ATOM 0 H LEU A 53 -3.052 2.442 6.329 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.555 5.212 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.535 5.777 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.996 5.237 5.557 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.560 3.055 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.246 3.745 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.375 4.812 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.708 5.349 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.419 2.585 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.761 4.114 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.226 2.814 5.018 1.00 0.00 H new ATOM 815 N LYS A 54 -5.958 5.005 7.170 1.00 0.00 N ATOM 816 CA LYS A 54 -7.408 4.930 7.121 1.00 0.00 C ATOM 817 C LYS A 54 -7.988 6.346 7.125 1.00 0.00 C ATOM 818 O LYS A 54 -7.280 7.310 7.415 1.00 0.00 O ATOM 819 CB LYS A 54 -7.938 4.046 8.252 1.00 0.00 C ATOM 820 CG LYS A 54 -7.795 2.563 7.901 1.00 0.00 C ATOM 821 CD LYS A 54 -7.537 1.726 9.155 1.00 0.00 C ATOM 822 CE LYS A 54 -8.801 1.613 10.009 1.00 0.00 C ATOM 823 NZ LYS A 54 -8.503 0.933 11.289 1.00 0.00 N ATOM 0 H LYS A 54 -5.588 5.689 7.830 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.733 4.454 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.393 4.260 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.986 4.280 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.701 2.214 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.975 2.430 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.197 0.731 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.737 2.179 9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.205 2.606 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.566 1.058 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.372 0.865 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.138 -0.022 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.789 1.478 11.814 1.00 0.00 H new ATOM 837 N VAL A 55 -9.269 6.427 6.799 1.00 0.00 N ATOM 838 CA VAL A 55 -9.952 7.710 6.761 1.00 0.00 C ATOM 839 C VAL A 55 -11.297 7.588 7.480 1.00 0.00 C ATOM 840 O VAL A 55 -12.270 7.100 6.907 1.00 0.00 O ATOM 841 CB VAL A 55 -10.089 8.187 5.314 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.012 9.404 5.223 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.719 8.491 4.705 1.00 0.00 C ATOM 0 H VAL A 55 -9.853 5.626 6.559 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.370 8.468 7.285 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.541 7.380 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.092 9.723 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.000 9.140 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.602 10.217 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.845 8.828 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.228 9.272 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.106 7.590 4.719 1.00 0.00 H new ATOM 853 N LYS A 56 -11.309 8.040 8.726 1.00 0.00 N ATOM 854 CA LYS A 56 -12.519 7.988 9.529 1.00 0.00 C ATOM 855 C LYS A 56 -13.210 6.640 9.315 1.00 0.00 C ATOM 856 O LYS A 56 -14.367 6.590 8.899 1.00 0.00 O ATOM 857 CB LYS A 56 -13.413 9.192 9.229 1.00 0.00 C ATOM 858 CG LYS A 56 -12.750 10.494 9.682 1.00 0.00 C ATOM 859 CD LYS A 56 -13.327 10.969 11.017 1.00 0.00 C ATOM 860 CE LYS A 56 -12.456 10.505 12.186 1.00 0.00 C ATOM 861 NZ LYS A 56 -11.481 11.555 12.555 1.00 0.00 N ATOM 0 H LYS A 56 -10.500 8.444 9.199 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.276 8.057 10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.620 9.238 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.371 9.073 9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.675 10.344 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.897 11.264 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.397 12.057 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.339 10.584 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.085 10.267 13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.929 9.591 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.898 11.224 13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.869 11.763 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.989 12.418 12.835 1.00 0.00 H new ATOM 875 N GLY A 57 -12.473 5.579 9.609 1.00 0.00 N ATOM 876 CA GLY A 57 -13.000 4.234 9.454 1.00 0.00 C ATOM 877 C GLY A 57 -12.414 3.555 8.215 1.00 0.00 C ATOM 878 O GLY A 57 -11.488 2.752 8.322 1.00 0.00 O ATOM 0 H GLY A 57 -11.514 5.624 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.767 3.644 10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.086 4.272 9.373 1.00 0.00 H new ATOM 882 N LYS A 58 -12.978 3.901 7.067 1.00 0.00 N ATOM 883 CA LYS A 58 -12.524 3.335 5.809 1.00 0.00 C ATOM 884 C LYS A 58 -11.349 4.159 5.278 1.00 0.00 C ATOM 885 O LYS A 58 -11.260 5.358 5.540 1.00 0.00 O ATOM 886 CB LYS A 58 -13.687 3.216 4.823 1.00 0.00 C ATOM 887 CG LYS A 58 -14.699 2.168 5.291 1.00 0.00 C ATOM 888 CD LYS A 58 -16.132 2.637 5.037 1.00 0.00 C ATOM 889 CE LYS A 58 -17.109 1.963 6.002 1.00 0.00 C ATOM 890 NZ LYS A 58 -18.094 2.943 6.512 1.00 0.00 N ATOM 0 H LYS A 58 -13.746 4.567 6.982 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.159 2.319 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.181 4.182 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.307 2.945 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.522 1.228 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.560 1.972 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.190 3.719 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.416 2.410 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.627 1.149 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.561 1.523 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.749 2.469 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.597 3.706 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.629 3.344 5.715 1.00 0.00 H new ATOM 904 N PRO A 59 -10.455 3.466 4.523 1.00 0.00 N ATOM 905 CA PRO A 59 -9.290 4.122 3.953 1.00 0.00 C ATOM 906 C PRO A 59 -9.681 4.991 2.756 1.00 0.00 C ATOM 907 O PRO A 59 -10.781 4.860 2.222 1.00 0.00 O ATOM 908 CB PRO A 59 -8.345 2.991 3.583 1.00 0.00 C ATOM 909 CG PRO A 59 -9.198 1.735 3.529 1.00 0.00 C ATOM 910 CD PRO A 59 -10.529 2.046 4.193 1.00 0.00 C ATOM 0 HA PRO A 59 -8.812 4.811 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.867 3.180 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.549 2.891 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.351 1.422 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.699 0.912 4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.364 1.838 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.678 1.439 5.086 1.00 0.00 H new ATOM 918 N ALA A 60 -8.758 5.859 2.369 1.00 0.00 N ATOM 919 CA ALA A 60 -8.992 6.749 1.245 1.00 0.00 C ATOM 920 C ALA A 60 -9.464 5.931 0.042 1.00 0.00 C ATOM 921 O ALA A 60 -9.306 4.711 0.016 1.00 0.00 O ATOM 922 CB ALA A 60 -7.717 7.542 0.948 1.00 0.00 C ATOM 0 H ALA A 60 -7.846 5.965 2.814 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.776 7.469 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.892 8.210 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.441 8.129 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.909 6.853 0.703 1.00 0.00 H new ATOM 928 N GLU A 61 -10.033 6.635 -0.926 1.00 0.00 N ATOM 929 CA GLU A 61 -10.529 5.988 -2.129 1.00 0.00 C ATOM 930 C GLU A 61 -9.362 5.490 -2.983 1.00 0.00 C ATOM 931 O GLU A 61 -8.201 5.653 -2.611 1.00 0.00 O ATOM 932 CB GLU A 61 -11.429 6.933 -2.927 1.00 0.00 C ATOM 933 CG GLU A 61 -12.719 7.239 -2.163 1.00 0.00 C ATOM 934 CD GLU A 61 -13.911 6.510 -2.786 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.765 5.294 -3.037 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.942 7.185 -2.997 1.00 0.00 O ATOM 0 H GLU A 61 -10.161 7.647 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.131 5.128 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.896 7.861 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.671 6.484 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.609 6.939 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.902 8.313 -2.167 1.00 0.00 H new ATOM 943 N ASN A 62 -9.710 4.893 -4.114 1.00 0.00 N ATOM 944 CA ASN A 62 -8.706 4.370 -5.024 1.00 0.00 C ATOM 945 C ASN A 62 -8.236 5.489 -5.956 1.00 0.00 C ATOM 946 O ASN A 62 -7.050 5.584 -6.270 1.00 0.00 O ATOM 947 CB ASN A 62 -9.278 3.245 -5.888 1.00 0.00 C ATOM 948 CG ASN A 62 -10.613 3.656 -6.511 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.558 4.022 -5.832 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.637 3.577 -7.839 1.00 0.00 N ATOM 0 H ASN A 62 -10.674 4.760 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.880 3.982 -4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.569 2.990 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.416 2.350 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.483 3.831 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.810 3.262 -8.346 1.00 0.00 H new ATOM 957 N ASP A 63 -9.190 6.309 -6.372 1.00 0.00 N ATOM 958 CA ASP A 63 -8.889 7.417 -7.262 1.00 0.00 C ATOM 959 C ASP A 63 -8.495 8.640 -6.430 1.00 0.00 C ATOM 960 O ASP A 63 -8.985 9.742 -6.670 1.00 0.00 O ATOM 961 CB ASP A 63 -10.109 7.793 -8.106 1.00 0.00 C ATOM 962 CG ASP A 63 -9.790 8.301 -9.513 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.980 9.249 -9.604 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.362 7.730 -10.466 1.00 0.00 O ATOM 0 H ASP A 63 -10.172 6.228 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.076 7.110 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.757 6.921 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.674 8.561 -7.578 1.00 0.00 H new ATOM 969 N VAL A 64 -7.613 8.403 -5.471 1.00 0.00 N ATOM 970 CA VAL A 64 -7.147 9.472 -4.603 1.00 0.00 C ATOM 971 C VAL A 64 -5.652 9.696 -4.835 1.00 0.00 C ATOM 972 O VAL A 64 -4.951 8.800 -5.304 1.00 0.00 O ATOM 973 CB VAL A 64 -7.484 9.147 -3.146 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.454 9.761 -2.195 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.899 9.608 -2.794 1.00 0.00 C ATOM 0 H VAL A 64 -7.209 7.487 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.656 10.406 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.446 8.064 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.717 9.515 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.466 9.362 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.445 10.844 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.113 9.365 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.977 10.686 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.617 9.103 -3.439 1.00 0.00 H new ATOM 985 N LYS A 65 -5.206 10.897 -4.496 1.00 0.00 N ATOM 986 CA LYS A 65 -3.807 11.250 -4.661 1.00 0.00 C ATOM 987 C LYS A 65 -3.055 10.964 -3.360 1.00 0.00 C ATOM 988 O LYS A 65 -3.298 11.612 -2.343 1.00 0.00 O ATOM 989 CB LYS A 65 -3.673 12.696 -5.143 1.00 0.00 C ATOM 990 CG LYS A 65 -3.326 12.748 -6.633 1.00 0.00 C ATOM 991 CD LYS A 65 -1.888 13.225 -6.845 1.00 0.00 C ATOM 992 CE LYS A 65 -1.839 14.409 -7.812 1.00 0.00 C ATOM 993 NZ LYS A 65 -0.629 15.226 -7.571 1.00 0.00 N ATOM 0 H LYS A 65 -5.790 11.638 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.349 10.635 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.606 13.230 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.899 13.205 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.454 11.760 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.015 13.418 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.452 13.514 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.284 12.406 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.841 14.047 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.731 15.024 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.426 15.802 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.789 15.850 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.179 14.601 -7.376 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.157 9.992 -3.434 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.369 9.612 -2.274 1.00 0.00 C ATOM 1009 C LEU A 66 -0.704 10.857 -1.684 1.00 0.00 C ATOM 1010 O LEU A 66 -0.372 10.886 -0.500 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.381 8.502 -2.638 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.992 7.222 -3.214 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.183 6.719 -4.411 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.143 6.151 -2.132 1.00 0.00 C ATOM 0 H LEU A 66 -1.958 9.457 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.011 9.195 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.330 8.899 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.186 8.240 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.993 7.455 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.638 5.809 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.172 7.482 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.839 6.507 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.579 5.252 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.164 5.914 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.794 6.523 -1.340 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.530 11.856 -2.537 1.00 0.00 N ATOM 1027 CA GLY A 67 0.089 13.101 -2.115 1.00 0.00 C ATOM 1028 C GLY A 67 -0.889 13.952 -1.302 1.00 0.00 C ATOM 1029 O GLY A 67 -0.517 14.524 -0.279 1.00 0.00 O ATOM 0 H GLY A 67 -0.807 11.828 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.974 12.886 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.423 13.660 -2.989 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.120 14.008 -1.788 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.154 14.779 -1.119 1.00 0.00 C ATOM 1035 C ALA A 68 -3.177 14.413 0.366 1.00 0.00 C ATOM 1036 O ALA A 68 -3.389 15.275 1.218 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.500 14.528 -1.802 1.00 0.00 C ATOM 0 H ALA A 68 -2.425 13.532 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.945 15.846 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.276 15.106 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.440 14.831 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.744 13.467 -1.746 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.955 13.134 0.632 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.947 12.644 2.000 1.00 0.00 C ATOM 1045 C LEU A 69 -1.737 13.223 2.737 1.00 0.00 C ATOM 1046 O LEU A 69 -1.788 13.437 3.947 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.007 11.116 2.022 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.408 10.500 2.050 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.257 11.121 3.161 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.084 10.611 0.682 1.00 0.00 C ATOM 0 H LEU A 69 -2.779 12.422 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.837 12.982 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.483 10.739 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.459 10.763 2.896 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.310 9.438 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.248 10.666 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.779 10.946 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.350 12.194 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.078 10.166 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.170 11.661 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.487 10.085 -0.063 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.678 13.458 1.977 1.00 0.00 N ATOM 1063 CA LYS A 70 0.542 14.007 2.543 1.00 0.00 C ATOM 1064 C LYS A 70 0.997 13.130 3.711 1.00 0.00 C ATOM 1065 O LYS A 70 1.163 13.615 4.829 1.00 0.00 O ATOM 1066 CB LYS A 70 0.344 15.477 2.919 1.00 0.00 C ATOM 1067 CG LYS A 70 0.901 16.400 1.833 1.00 0.00 C ATOM 1068 CD LYS A 70 2.431 16.398 1.842 1.00 0.00 C ATOM 1069 CE LYS A 70 2.976 17.532 2.712 1.00 0.00 C ATOM 1070 NZ LYS A 70 3.952 17.010 3.694 1.00 0.00 N ATOM 0 H LYS A 70 -0.640 13.278 0.974 1.00 0.00 H new ATOM 0 HA LYS A 70 1.343 13.996 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.717 15.679 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.841 15.684 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.539 16.078 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.534 17.414 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.795 15.441 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.804 16.505 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.452 18.284 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.155 18.025 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.312 17.793 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.488 16.309 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.744 16.560 3.191 1.00 0.00 H new ATOM 1084 N LEU A 71 1.186 11.853 3.411 1.00 0.00 N ATOM 1085 CA LEU A 71 1.619 10.904 4.422 1.00 0.00 C ATOM 1086 C LEU A 71 3.095 11.147 4.746 1.00 0.00 C ATOM 1087 O LEU A 71 3.721 12.035 4.171 1.00 0.00 O ATOM 1088 CB LEU A 71 1.315 9.471 3.978 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.147 9.169 3.643 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.259 8.386 2.334 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.838 8.449 4.803 1.00 0.00 C ATOM 0 H LEU A 71 1.047 11.454 2.483 1.00 0.00 H new ATOM 0 HA LEU A 71 1.061 11.052 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.922 9.247 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.634 8.791 4.768 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.667 10.116 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.308 8.184 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.172 8.972 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.280 7.443 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.876 8.246 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.325 7.509 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.806 9.078 5.692 1.00 0.00 H new ATOM 1103 N LYS A 72 3.606 10.341 5.665 1.00 0.00 N ATOM 1104 CA LYS A 72 4.996 10.458 6.072 1.00 0.00 C ATOM 1105 C LYS A 72 5.877 9.681 5.091 1.00 0.00 C ATOM 1106 O LYS A 72 5.400 8.782 4.400 1.00 0.00 O ATOM 1107 CB LYS A 72 5.167 10.022 7.529 1.00 0.00 C ATOM 1108 CG LYS A 72 4.437 10.978 8.475 1.00 0.00 C ATOM 1109 CD LYS A 72 5.094 12.361 8.471 1.00 0.00 C ATOM 1110 CE LYS A 72 4.060 13.458 8.210 1.00 0.00 C ATOM 1111 NZ LYS A 72 3.753 14.189 9.459 1.00 0.00 N ATOM 0 H LYS A 72 3.083 9.605 6.139 1.00 0.00 H new ATOM 0 HA LYS A 72 5.317 11.499 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.780 9.011 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.227 9.993 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.393 11.066 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.444 10.571 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.583 12.538 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.869 12.397 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.439 14.152 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.148 13.018 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.050 14.930 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.371 13.527 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.622 14.625 9.828 1.00 0.00 H new ATOM 1125 N PRO A 73 7.181 10.065 5.061 1.00 0.00 N ATOM 1126 CA PRO A 73 8.133 9.414 4.177 1.00 0.00 C ATOM 1127 C PRO A 73 8.517 8.031 4.706 1.00 0.00 C ATOM 1128 O PRO A 73 8.510 7.801 5.915 1.00 0.00 O ATOM 1129 CB PRO A 73 9.314 10.369 4.099 1.00 0.00 C ATOM 1130 CG PRO A 73 9.183 11.293 5.299 1.00 0.00 C ATOM 1131 CD PRO A 73 7.782 11.125 5.866 1.00 0.00 C ATOM 0 HA PRO A 73 7.724 9.225 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.258 9.825 4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.298 10.934 3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.932 11.049 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.354 12.328 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.812 10.853 6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.211 12.051 5.792 1.00 0.00 H new ATOM 1139 N ASN A 74 8.842 7.146 3.776 1.00 0.00 N ATOM 1140 CA ASN A 74 9.228 5.791 4.133 1.00 0.00 C ATOM 1141 C ASN A 74 8.300 5.276 5.235 1.00 0.00 C ATOM 1142 O ASN A 74 8.750 4.628 6.179 1.00 0.00 O ATOM 1143 CB ASN A 74 10.662 5.749 4.665 1.00 0.00 C ATOM 1144 CG ASN A 74 10.941 6.940 5.584 1.00 0.00 C ATOM 1145 OD1 ASN A 74 11.183 8.053 5.145 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.894 6.647 6.880 1.00 0.00 N ATOM 0 H ASN A 74 8.846 7.341 2.775 1.00 0.00 H new ATOM 0 HA ASN A 74 9.157 5.173 3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.824 4.819 5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.364 5.757 3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.066 7.375 7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.686 5.695 7.180 1.00 0.00 H new ATOM 1153 N THR A 75 7.020 5.582 5.078 1.00 0.00 N ATOM 1154 CA THR A 75 6.025 5.157 6.047 1.00 0.00 C ATOM 1155 C THR A 75 5.808 3.645 5.962 1.00 0.00 C ATOM 1156 O THR A 75 5.187 3.155 5.020 1.00 0.00 O ATOM 1157 CB THR A 75 4.750 5.967 5.802 1.00 0.00 C ATOM 1158 OG1 THR A 75 5.033 7.241 6.376 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.561 5.449 6.614 1.00 0.00 C ATOM 0 H THR A 75 6.650 6.119 4.294 1.00 0.00 H new ATOM 0 HA THR A 75 6.360 5.349 7.066 1.00 0.00 H new ATOM 0 HB THR A 75 4.503 5.942 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.003 7.352 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.683 6.059 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.358 4.413 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.794 5.505 7.677 1.00 0.00 H new ATOM 1167 N LYS A 76 6.333 2.947 6.959 1.00 0.00 N ATOM 1168 CA LYS A 76 6.206 1.501 7.009 1.00 0.00 C ATOM 1169 C LYS A 76 4.768 1.132 7.381 1.00 0.00 C ATOM 1170 O LYS A 76 4.410 1.128 8.558 1.00 0.00 O ATOM 1171 CB LYS A 76 7.256 0.902 7.946 1.00 0.00 C ATOM 1172 CG LYS A 76 8.669 1.302 7.513 1.00 0.00 C ATOM 1173 CD LYS A 76 9.603 1.405 8.720 1.00 0.00 C ATOM 1174 CE LYS A 76 10.300 0.070 8.990 1.00 0.00 C ATOM 1175 NZ LYS A 76 11.000 0.105 10.294 1.00 0.00 N ATOM 0 H LYS A 76 6.847 3.357 7.739 1.00 0.00 H new ATOM 0 HA LYS A 76 6.404 1.068 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.074 1.241 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.167 -0.184 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.059 0.567 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.636 2.258 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.349 2.179 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.034 1.707 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.567 -0.737 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.013 -0.142 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.468 -0.809 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.713 0.862 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.312 0.286 11.053 1.00 0.00 H new ATOM 1189 N ILE A 77 3.983 0.833 6.357 1.00 0.00 N ATOM 1190 CA ILE A 77 2.593 0.464 6.562 1.00 0.00 C ATOM 1191 C ILE A 77 2.466 -1.061 6.544 1.00 0.00 C ATOM 1192 O ILE A 77 3.409 -1.761 6.180 1.00 0.00 O ATOM 1193 CB ILE A 77 1.696 1.167 5.541 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.842 0.536 4.156 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.969 2.673 5.517 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.625 -0.328 3.816 1.00 0.00 C ATOM 0 H ILE A 77 4.283 0.839 5.382 1.00 0.00 H new ATOM 0 HA ILE A 77 2.250 0.802 7.540 1.00 0.00 H new ATOM 0 HB ILE A 77 0.659 1.032 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.958 1.319 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.745 -0.073 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.319 3.149 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.773 3.094 6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.010 2.850 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.754 -0.765 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.526 -1.124 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.273 0.289 3.826 1.00 0.00 H new ATOM 1208 N MET A 78 1.292 -1.529 6.943 1.00 0.00 N ATOM 1209 CA MET A 78 1.030 -2.958 6.977 1.00 0.00 C ATOM 1210 C MET A 78 0.025 -3.358 5.895 1.00 0.00 C ATOM 1211 O MET A 78 -0.725 -2.518 5.399 1.00 0.00 O ATOM 1212 CB MET A 78 0.481 -3.343 8.352 1.00 0.00 C ATOM 1213 CG MET A 78 0.953 -4.741 8.760 1.00 0.00 C ATOM 1214 SD MET A 78 2.200 -4.617 10.030 1.00 0.00 S ATOM 1215 CE MET A 78 1.322 -5.351 11.400 1.00 0.00 C ATOM 0 H MET A 78 0.513 -0.945 7.245 1.00 0.00 H new ATOM 0 HA MET A 78 1.966 -3.485 6.789 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.807 -2.614 9.094 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.608 -3.314 8.334 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.109 -5.327 9.123 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.356 -5.265 7.893 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.962 -5.353 12.283 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.421 -4.773 11.606 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.046 -6.375 11.149 1.00 0.00 H new ATOM 1225 N MET A 79 0.041 -4.639 5.561 1.00 0.00 N ATOM 1226 CA MET A 79 -0.859 -5.160 4.547 1.00 0.00 C ATOM 1227 C MET A 79 -1.527 -6.453 5.019 1.00 0.00 C ATOM 1228 O MET A 79 -0.974 -7.176 5.847 1.00 0.00 O ATOM 1229 CB MET A 79 -0.078 -5.429 3.259 1.00 0.00 C ATOM 1230 CG MET A 79 -1.010 -5.897 2.140 1.00 0.00 C ATOM 1231 SD MET A 79 -1.194 -7.672 2.201 1.00 0.00 S ATOM 1232 CE MET A 79 -0.474 -8.112 0.628 1.00 0.00 C ATOM 0 H MET A 79 0.664 -5.333 5.975 1.00 0.00 H new ATOM 0 HA MET A 79 -1.636 -4.418 4.362 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.442 -4.523 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.684 -6.186 3.443 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.984 -5.418 2.243 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.608 -5.598 1.172 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.770 -9.127 0.364 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.824 -7.421 -0.139 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.612 -8.057 0.697 1.00 0.00 H new ATOM 1242 N MET A 80 -2.707 -6.706 4.471 1.00 0.00 N ATOM 1243 CA MET A 80 -3.456 -7.900 4.826 1.00 0.00 C ATOM 1244 C MET A 80 -4.109 -8.524 3.591 1.00 0.00 C ATOM 1245 O MET A 80 -4.572 -7.811 2.702 1.00 0.00 O ATOM 1246 CB MET A 80 -4.536 -7.540 5.848 1.00 0.00 C ATOM 1247 CG MET A 80 -4.035 -7.762 7.277 1.00 0.00 C ATOM 1248 SD MET A 80 -5.018 -9.015 8.081 1.00 0.00 S ATOM 1249 CE MET A 80 -6.311 -7.998 8.773 1.00 0.00 C ATOM 0 H MET A 80 -3.163 -6.105 3.784 1.00 0.00 H new ATOM 0 HA MET A 80 -2.765 -8.626 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.830 -6.498 5.720 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.425 -8.146 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.988 -8.064 7.261 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.089 -6.830 7.839 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.018 -8.627 9.314 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.875 -7.271 9.458 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.831 -7.475 7.971 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.126 -9.849 3.576 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.715 -10.577 2.465 1.00 0.00 C ATOM 1261 C GLY A 81 -3.955 -11.878 2.199 1.00 0.00 C ATOM 1262 O GLY A 81 -3.158 -12.317 3.026 1.00 0.00 O ATOM 0 H GLY A 81 -3.741 -10.437 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.759 -10.800 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.703 -9.955 1.570 1.00 0.00 H new ATOM 1266 N THR A 82 -4.229 -12.459 1.040 1.00 0.00 N ATOM 1267 CA THR A 82 -3.581 -13.701 0.653 1.00 0.00 C ATOM 1268 C THR A 82 -3.665 -13.897 -0.862 1.00 0.00 C ATOM 1269 O THR A 82 -4.509 -13.295 -1.524 1.00 0.00 O ATOM 1270 CB THR A 82 -4.225 -14.838 1.450 1.00 0.00 C ATOM 1271 OG1 THR A 82 -3.443 -15.981 1.118 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.627 -15.186 0.945 1.00 0.00 C ATOM 0 H THR A 82 -4.891 -12.093 0.356 1.00 0.00 H new ATOM 0 HA THR A 82 -2.517 -13.682 0.888 1.00 0.00 H new ATOM 0 HB THR A 82 -4.277 -14.559 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.791 -16.764 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.038 -15.998 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.271 -14.311 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.571 -15.497 -0.098 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.779 -14.743 -1.366 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.742 -15.027 -2.791 1.00 0.00 C ATOM 1282 C ARG A 83 -3.492 -16.325 -3.093 1.00 0.00 C ATOM 1283 O ARG A 83 -3.529 -17.233 -2.264 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.301 -15.150 -3.291 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.605 -16.359 -2.664 1.00 0.00 C ATOM 1286 CD ARG A 83 0.793 -16.554 -3.254 1.00 0.00 C ATOM 1287 NE ARG A 83 0.691 -16.966 -4.672 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.734 -17.352 -5.419 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.964 -17.382 -4.888 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.548 -17.708 -6.697 1.00 0.00 N ATOM 0 H ARG A 83 -2.081 -15.241 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.224 -14.197 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.296 -15.246 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.749 -14.242 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.532 -16.222 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.203 -17.255 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.362 -15.628 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.335 -17.310 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.231 -16.955 -5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.106 -17.111 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.758 -17.676 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.612 -17.685 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.342 -18.002 -7.265 1.00 0.00 H new ATOM 1304 N GLU A 84 -4.072 -16.372 -4.284 1.00 0.00 N ATOM 1305 CA GLU A 84 -4.820 -17.545 -4.706 1.00 0.00 C ATOM 1306 C GLU A 84 -6.144 -17.632 -3.946 1.00 0.00 C ATOM 1307 O GLU A 84 -6.413 -16.817 -3.065 1.00 0.00 O ATOM 1308 CB GLU A 84 -3.994 -18.819 -4.517 1.00 0.00 C ATOM 1309 CG GLU A 84 -3.664 -19.463 -5.865 1.00 0.00 C ATOM 1310 CD GLU A 84 -3.271 -20.932 -5.689 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -2.745 -21.252 -4.601 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -3.506 -21.701 -6.646 1.00 0.00 O ATOM 0 H GLU A 84 -4.039 -15.617 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.040 -17.448 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.071 -18.583 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.546 -19.526 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.526 -19.390 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.849 -18.919 -6.342 1.00 0.00 H new ATOM 1319 N SER A 85 -6.937 -18.628 -4.314 1.00 0.00 N ATOM 1320 CA SER A 85 -8.227 -18.832 -3.677 1.00 0.00 C ATOM 1321 C SER A 85 -8.049 -19.610 -2.372 1.00 0.00 C ATOM 1322 O SER A 85 -7.215 -20.510 -2.290 1.00 0.00 O ATOM 1323 CB SER A 85 -9.189 -19.572 -4.608 1.00 0.00 C ATOM 1324 OG SER A 85 -10.416 -19.897 -3.960 1.00 0.00 O ATOM 0 H SER A 85 -6.711 -19.302 -5.045 1.00 0.00 H new ATOM 0 HA SER A 85 -8.657 -17.855 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.394 -18.955 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.715 -20.486 -4.967 1.00 0.00 H new ATOM 0 HG SER A 85 -11.003 -20.367 -4.588 1.00 0.00 H new ATOM 1330 N GLY A 86 -8.847 -19.234 -1.383 1.00 0.00 N ATOM 1331 CA GLY A 86 -8.788 -19.884 -0.085 1.00 0.00 C ATOM 1332 C GLY A 86 -8.917 -21.402 -0.226 1.00 0.00 C ATOM 1333 O GLY A 86 -9.453 -21.894 -1.218 1.00 0.00 O ATOM 0 H GLY A 86 -9.538 -18.487 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.846 -19.639 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.587 -19.505 0.552 1.00 0.00 H new ATOM 1337 N PRO A 87 -8.402 -22.122 0.807 1.00 0.00 N ATOM 1338 CA PRO A 87 -8.455 -23.574 0.807 1.00 0.00 C ATOM 1339 C PRO A 87 -9.868 -24.071 1.119 1.00 0.00 C ATOM 1340 O PRO A 87 -10.713 -23.304 1.577 1.00 0.00 O ATOM 1341 CB PRO A 87 -7.431 -24.004 1.845 1.00 0.00 C ATOM 1342 CG PRO A 87 -7.179 -22.782 2.714 1.00 0.00 C ATOM 1343 CD PRO A 87 -7.760 -21.574 1.998 1.00 0.00 C ATOM 0 HA PRO A 87 -8.221 -24.004 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.805 -24.836 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.510 -24.341 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.644 -22.906 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.111 -22.648 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.477 -21.048 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.982 -20.858 1.734 1.00 0.00 H new ATOM 1351 N SER A 88 -10.080 -25.353 0.858 1.00 0.00 N ATOM 1352 CA SER A 88 -11.376 -25.962 1.105 1.00 0.00 C ATOM 1353 C SER A 88 -11.510 -26.325 2.586 1.00 0.00 C ATOM 1354 O SER A 88 -12.421 -25.853 3.264 1.00 0.00 O ATOM 1355 CB SER A 88 -11.576 -27.204 0.234 1.00 0.00 C ATOM 1356 OG SER A 88 -12.947 -27.583 0.152 1.00 0.00 O ATOM 0 H SER A 88 -9.376 -25.986 0.478 1.00 0.00 H new ATOM 0 HA SER A 88 -12.149 -25.239 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.193 -27.010 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.995 -28.031 0.643 1.00 0.00 H new ATOM 0 HG SER A 88 -13.033 -28.378 -0.414 1.00 0.00 H new ATOM 1362 N SER A 89 -10.589 -27.160 3.043 1.00 0.00 N ATOM 1363 CA SER A 89 -10.593 -27.592 4.430 1.00 0.00 C ATOM 1364 C SER A 89 -9.429 -26.945 5.183 1.00 0.00 C ATOM 1365 O SER A 89 -8.427 -26.567 4.578 1.00 0.00 O ATOM 1366 CB SER A 89 -10.510 -29.116 4.533 1.00 0.00 C ATOM 1367 OG SER A 89 -11.793 -29.710 4.706 1.00 0.00 O ATOM 0 H SER A 89 -9.835 -27.549 2.477 1.00 0.00 H new ATOM 0 HA SER A 89 -11.532 -27.275 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.044 -29.515 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.868 -29.388 5.371 1.00 0.00 H new ATOM 0 HG SER A 89 -11.697 -30.683 4.766 1.00 0.00 H new ATOM 1373 N GLY A 90 -9.600 -26.836 6.493 1.00 0.00 N ATOM 1374 CA GLY A 90 -8.576 -26.241 7.334 1.00 0.00 C ATOM 1375 C GLY A 90 -8.421 -27.019 8.643 1.00 0.00 C ATOM 1376 O GLY A 90 -7.463 -26.809 9.384 1.00 0.00 O ATOM 0 H GLY A 90 -10.432 -27.150 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.626 -26.227 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.835 -25.205 7.551 1.00 0.00 H new TER 1380 GLY A 90