USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1055 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 111 SER OG : rot 180:sc= 0.745 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.7! C(o=1.4!,f=-5.3!) USER MOD Set 1.3: A 118 MET CE :methyl -149:sc= 0 (180deg=-0.282) USER MOD Set 2.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 113 THR OG1 : rot 170:sc= 0 USER MOD Set 3.1: A 79 HIS : no HD1:sc= 0.525 K(o=1.1,f=-0.19) USER MOD Set 3.2: A 100 LYS NZ :NH3+ -119:sc= 0.61 (180deg=0) USER MOD Set 4.1: A 65 GLN : amide:sc= 0.6 K(o=0.56,f=-0.25) USER MOD Set 4.2: A 68 MET CE :methyl 172:sc= -0.0426 (180deg=-0.12) USER MOD Set 5.1: A 28 SER OG : rot -120:sc= 0.879 USER MOD Set 5.2: A 57 LYS NZ :NH3+ 164:sc= 1.02 (180deg=-0.0163) USER MOD Set 6.1: A 10 GLN : amide:sc= 0.475 K(o=0.47,f=-6.8!) USER MOD Set 6.2: A 12 MET CE :methyl -173:sc= 0 (180deg=-0.0744) USER MOD Single : A 0 MET CE :methyl -91:sc= 0 (180deg=-0.0339) USER MOD Single : A 6 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.52) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 62:sc= 0.318 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00991 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 30 GLN : amide:sc=-0.000721 K(o=-0.00072,f=-0.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -73:sc= 1.31 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 1.27 (180deg=0.997) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 147:sc= -0.272 USER MOD Single : A 55 THR OG1 : rot 124:sc= 1.32 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 0.937 (180deg=0.458) USER MOD Single : A 77 GLN : amide:sc= 0.996 K(o=1,f=-0.16) USER MOD Single : A 78 GLN : amide:sc= 0.887 K(o=0.89,f=-0.22) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 150:sc= -0.0833 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.211 USER MOD Single : A -11 MET CE :methyl -175:sc= 0 (180deg=-0.0467) USER MOD Single : A -11 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.61) USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.16) USER MOD Single : A 106 TYR OH : rot -12:sc= 1.3 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.273 (180deg=-1.55) USER MOD Single : A 112 MET CE :methyl -158:sc= -0.105 (180deg=-0.69) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 -1.873 -7.337 21.814 1.00 0.00 N ATOM 2 CA MET A -11 -2.632 -6.434 20.909 1.00 0.00 C ATOM 3 C MET A -11 -2.108 -6.556 19.472 1.00 0.00 C ATOM 4 O MET A -11 -0.911 -6.345 19.259 1.00 0.00 O ATOM 5 CB MET A -11 -2.585 -4.976 21.415 1.00 0.00 C ATOM 6 CG MET A -11 -3.317 -3.976 20.506 1.00 0.00 C ATOM 7 SD MET A -11 -3.337 -2.262 21.113 1.00 0.00 S ATOM 8 CE MET A -11 -4.494 -2.399 22.505 1.00 0.00 C ATOM 0 H1 MET A -11 -2.238 -7.244 22.783 1.00 0.00 H new ATOM 0 H2 MET A -11 -1.983 -8.321 21.495 1.00 0.00 H new ATOM 0 H3 MET A -11 -0.866 -7.079 21.797 1.00 0.00 H new ATOM 0 HA MET A -11 -3.678 -6.739 20.909 1.00 0.00 H new ATOM 0 HB2 MET A -11 -3.024 -4.934 22.412 1.00 0.00 H new ATOM 0 HB3 MET A -11 -1.544 -4.669 21.512 1.00 0.00 H new ATOM 0 HG2 MET A -11 -2.849 -3.992 19.522 1.00 0.00 H new ATOM 0 HG3 MET A -11 -4.346 -4.312 20.375 1.00 0.00 H new ATOM 0 HE1 MET A -11 -4.678 -1.410 22.924 1.00 0.00 H new ATOM 0 HE2 MET A -11 -5.434 -2.826 22.156 1.00 0.00 H new ATOM 0 HE3 MET A -11 -4.065 -3.044 23.272 1.00 0.00 H new ATOM 20 N PRO A -10 -2.957 -6.905 18.483 1.00 0.00 N ATOM 21 CA PRO A -10 -2.553 -7.016 17.077 1.00 0.00 C ATOM 22 C PRO A -10 -2.226 -5.648 16.453 1.00 0.00 C ATOM 23 O PRO A -10 -2.764 -4.621 16.878 1.00 0.00 O ATOM 24 CB PRO A -10 -3.731 -7.690 16.367 1.00 0.00 C ATOM 25 CG PRO A -10 -4.936 -7.229 17.186 1.00 0.00 C ATOM 26 CD PRO A -10 -4.385 -7.185 18.612 1.00 0.00 C ATOM 0 HA PRO A -10 -1.635 -7.595 16.978 1.00 0.00 H new ATOM 0 HB2 PRO A -10 -3.807 -7.377 15.326 1.00 0.00 H new ATOM 0 HB3 PRO A -10 -3.635 -8.776 16.367 1.00 0.00 H new ATOM 0 HG2 PRO A -10 -5.295 -6.252 16.862 1.00 0.00 H new ATOM 0 HG3 PRO A -10 -5.773 -7.922 17.098 1.00 0.00 H new ATOM 0 HD2 PRO A -10 -4.883 -6.413 19.199 1.00 0.00 H new ATOM 0 HD3 PRO A -10 -4.552 -8.132 19.124 1.00 0.00 H new ATOM 34 N ARG A -9 -1.364 -5.633 15.427 1.00 0.00 N ATOM 35 CA ARG A -9 -0.867 -4.414 14.752 1.00 0.00 C ATOM 36 C ARG A -9 -0.962 -4.478 13.224 1.00 0.00 C ATOM 37 O ARG A -9 -0.999 -5.559 12.635 1.00 0.00 O ATOM 38 CB ARG A -9 0.572 -4.105 15.210 1.00 0.00 C ATOM 39 CG ARG A -9 0.655 -3.730 16.699 1.00 0.00 C ATOM 40 CD ARG A -9 2.088 -3.345 17.086 1.00 0.00 C ATOM 41 NE ARG A -9 2.171 -2.953 18.507 1.00 0.00 N ATOM 42 CZ ARG A -9 3.269 -2.674 19.186 1.00 0.00 C ATOM 43 NH1 ARG A -9 4.453 -2.711 18.641 1.00 0.00 N ATOM 44 NH2 ARG A -9 3.200 -2.345 20.445 1.00 0.00 N ATOM 0 H ARG A -9 -0.979 -6.489 15.029 1.00 0.00 H new ATOM 0 HA ARG A -9 -1.524 -3.598 15.051 1.00 0.00 H new ATOM 0 HB2 ARG A -9 1.203 -4.974 15.023 1.00 0.00 H new ATOM 0 HB3 ARG A -9 0.971 -3.287 14.611 1.00 0.00 H new ATOM 0 HG2 ARG A -9 -0.018 -2.898 16.907 1.00 0.00 H new ATOM 0 HG3 ARG A -9 0.322 -4.570 17.309 1.00 0.00 H new ATOM 0 HD2 ARG A -9 2.756 -4.185 16.898 1.00 0.00 H new ATOM 0 HD3 ARG A -9 2.428 -2.521 16.458 1.00 0.00 H new ATOM 0 HE ARG A -9 1.290 -2.891 19.017 1.00 0.00 H new ATOM 0 HH11 ARG A -9 4.554 -2.962 17.658 1.00 0.00 H new ATOM 0 HH12 ARG A -9 5.278 -2.489 19.198 1.00 0.00 H new ATOM 0 HH21 ARG A -9 2.294 -2.302 20.912 1.00 0.00 H new ATOM 0 HH22 ARG A -9 4.052 -2.131 20.964 1.00 0.00 H new ATOM 58 N PHE A -8 -0.941 -3.311 12.575 1.00 0.00 N ATOM 59 CA PHE A -8 -1.096 -3.176 11.122 1.00 0.00 C ATOM 60 C PHE A -8 -0.180 -4.028 10.233 1.00 0.00 C ATOM 61 O PHE A -8 -0.645 -4.724 9.326 1.00 0.00 O ATOM 62 CB PHE A -8 -1.146 -1.692 10.714 1.00 0.00 C ATOM 63 CG PHE A -8 -0.826 -1.453 9.251 1.00 0.00 C ATOM 64 CD1 PHE A -8 0.514 -1.285 8.849 1.00 0.00 C ATOM 65 CD2 PHE A -8 -1.843 -1.515 8.282 1.00 0.00 C ATOM 66 CE1 PHE A -8 0.841 -1.247 7.484 1.00 0.00 C ATOM 67 CE2 PHE A -8 -1.515 -1.447 6.916 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.172 -1.340 6.519 1.00 0.00 C ATOM 0 H PHE A -8 -0.814 -2.418 13.051 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.063 -3.633 10.911 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -2.139 -1.298 10.929 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.441 -1.131 11.328 1.00 0.00 H new ATOM 0 HD1 PHE A -8 1.291 -1.185 9.592 1.00 0.00 H new ATOM 0 HD2 PHE A -8 -2.874 -1.615 8.586 1.00 0.00 H new ATOM 0 HE1 PHE A -8 1.872 -1.146 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A -8 -2.297 -1.477 6.171 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.081 -1.329 5.469 1.00 0.00 H new ATOM 78 N TRP A -7 1.127 -4.002 10.512 1.00 0.00 N ATOM 79 CA TRP A -7 2.124 -4.696 9.690 1.00 0.00 C ATOM 80 C TRP A -7 1.996 -6.227 9.730 1.00 0.00 C ATOM 81 O TRP A -7 2.325 -6.893 8.754 1.00 0.00 O ATOM 82 CB TRP A -7 3.530 -4.196 10.042 1.00 0.00 C ATOM 83 CG TRP A -7 4.668 -4.911 9.373 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.301 -5.997 9.875 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.130 -4.799 7.986 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.191 -6.497 8.945 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.108 -5.815 7.751 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.828 -3.944 6.901 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.749 -5.976 6.513 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.467 -4.100 5.654 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.420 -5.114 5.457 1.00 0.00 C ATOM 0 H TRP A -7 1.522 -3.503 11.309 1.00 0.00 H new ATOM 0 HA TRP A -7 1.927 -4.445 8.648 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.592 -3.138 9.788 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.662 -4.273 11.121 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.135 -6.412 10.858 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.829 -7.273 9.120 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.097 -3.160 7.029 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.486 -6.753 6.375 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.221 -3.433 4.841 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.898 -5.229 4.495 1.00 0.00 H new ATOM 102 N GLU A -6 1.432 -6.797 10.799 1.00 0.00 N ATOM 103 CA GLU A -6 1.116 -8.233 10.882 1.00 0.00 C ATOM 104 C GLU A -6 0.042 -8.628 9.850 1.00 0.00 C ATOM 105 O GLU A -6 0.186 -9.632 9.149 1.00 0.00 O ATOM 106 CB GLU A -6 0.633 -8.583 12.301 1.00 0.00 C ATOM 107 CG GLU A -6 1.681 -8.291 13.392 1.00 0.00 C ATOM 108 CD GLU A -6 1.123 -8.381 14.829 1.00 0.00 C ATOM 109 OE1 GLU A -6 -0.108 -8.267 15.040 1.00 0.00 O ATOM 110 OE2 GLU A -6 1.938 -8.536 15.772 1.00 0.00 O ATOM 0 H GLU A -6 1.179 -6.275 11.638 1.00 0.00 H new ATOM 0 HA GLU A -6 2.024 -8.793 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.274 -8.018 12.518 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.367 -9.639 12.336 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.507 -8.995 13.288 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.090 -7.293 13.232 1.00 0.00 H new ATOM 117 N TYR A -5 -1.000 -7.801 9.699 1.00 0.00 N ATOM 118 CA TYR A -5 -1.980 -7.914 8.616 1.00 0.00 C ATOM 119 C TYR A -5 -1.459 -7.637 7.201 1.00 0.00 C ATOM 120 O TYR A -5 -1.892 -8.263 6.234 1.00 0.00 O ATOM 121 CB TYR A -5 -3.252 -7.118 8.926 1.00 0.00 C ATOM 122 CG TYR A -5 -4.189 -7.788 9.909 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.137 -8.719 9.441 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.119 -7.479 11.282 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.013 -9.346 10.346 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.003 -8.098 12.188 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.952 -9.033 11.720 1.00 0.00 C ATOM 128 OH TYR A -5 -6.813 -9.634 12.586 1.00 0.00 O ATOM 0 H TYR A -5 -1.187 -7.025 10.335 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.224 -8.976 8.591 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.968 -6.143 9.322 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.790 -6.940 7.995 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.191 -8.951 8.388 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.389 -6.768 11.640 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.733 -10.068 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.955 -7.857 13.240 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.641 -9.311 13.495 1.00 0.00 H new ATOM 138 N TRP A -4 -0.500 -6.718 7.076 1.00 0.00 N ATOM 139 CA TRP A -4 0.111 -6.380 5.790 1.00 0.00 C ATOM 140 C TRP A -4 1.096 -7.469 5.330 1.00 0.00 C ATOM 141 O TRP A -4 1.116 -7.827 4.156 1.00 0.00 O ATOM 142 CB TRP A -4 0.809 -5.025 5.910 1.00 0.00 C ATOM 143 CG TRP A -4 1.066 -4.414 4.576 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.126 -4.688 3.787 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.108 -3.719 3.719 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.940 -4.107 2.550 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.703 -3.517 2.440 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.217 -3.264 3.890 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.035 -2.868 1.392 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.897 -2.610 2.848 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.276 -2.406 1.603 1.00 0.00 C ATOM 0 H TRP A -4 -0.126 -6.188 7.863 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.670 -6.320 5.032 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.194 -4.351 6.506 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.753 -5.148 6.441 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.987 -5.272 4.079 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.637 -4.114 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.716 -3.421 4.835 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.520 -2.725 0.438 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.907 -2.261 3.005 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.805 -1.896 0.811 1.00 0.00 H new ATOM 162 N LEU A -3 1.861 -8.078 6.240 1.00 0.00 N ATOM 163 CA LEU A -3 2.752 -9.206 5.949 1.00 0.00 C ATOM 164 C LEU A -3 1.987 -10.431 5.407 1.00 0.00 C ATOM 165 O LEU A -3 2.488 -11.166 4.555 1.00 0.00 O ATOM 166 CB LEU A -3 3.520 -9.530 7.245 1.00 0.00 C ATOM 167 CG LEU A -3 4.635 -10.579 7.092 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.804 -10.011 6.287 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.158 -10.979 8.471 1.00 0.00 C ATOM 0 H LEU A -3 1.879 -7.795 7.220 1.00 0.00 H new ATOM 0 HA LEU A -3 3.449 -8.935 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.958 -8.609 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.810 -9.883 7.993 1.00 0.00 H new ATOM 0 HG LEU A -3 4.218 -11.442 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.582 -10.769 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.456 -9.720 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.209 -9.139 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.948 -11.722 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.556 -10.100 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.344 -11.401 9.061 1.00 0.00 H new ATOM 181 N ARG A -2 0.733 -10.607 5.844 1.00 0.00 N ATOM 182 CA ARG A -2 -0.187 -11.653 5.380 1.00 0.00 C ATOM 183 C ARG A -2 -0.606 -11.507 3.914 1.00 0.00 C ATOM 184 O ARG A -2 -0.882 -12.520 3.274 1.00 0.00 O ATOM 185 CB ARG A -2 -1.403 -11.692 6.320 1.00 0.00 C ATOM 186 CG ARG A -2 -1.129 -12.441 7.636 1.00 0.00 C ATOM 187 CD ARG A -2 -1.661 -13.878 7.608 1.00 0.00 C ATOM 188 NE ARG A -2 -1.069 -14.685 6.523 1.00 0.00 N ATOM 189 CZ ARG A -2 -1.641 -15.075 5.398 1.00 0.00 C ATOM 190 NH1 ARG A -2 -2.837 -14.722 5.018 1.00 0.00 N ATOM 191 NH2 ARG A -2 -0.974 -15.869 4.629 1.00 0.00 N ATOM 0 H ARG A -2 0.317 -10.004 6.554 1.00 0.00 H new ATOM 0 HA ARG A -2 0.345 -12.604 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.711 -10.671 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.237 -12.169 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -0.056 -12.457 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -1.591 -11.901 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.454 -14.356 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -2.744 -13.857 7.490 1.00 0.00 H new ATOM 0 HE ARG A -2 -0.101 -14.977 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -3.397 -14.104 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -3.213 -15.064 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -0.039 -16.174 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -1.382 -16.192 3.752 1.00 0.00 H new ATOM 205 N LEU A -1 -0.571 -10.292 3.354 1.00 0.00 N ATOM 206 CA LEU A -1 -0.771 -10.065 1.918 1.00 0.00 C ATOM 207 C LEU A -1 0.336 -10.742 1.098 1.00 0.00 C ATOM 208 O LEU A -1 0.048 -11.556 0.220 1.00 0.00 O ATOM 209 CB LEU A -1 -0.753 -8.562 1.595 1.00 0.00 C ATOM 210 CG LEU A -1 -1.942 -7.746 2.113 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.600 -6.268 1.995 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.194 -7.994 1.277 1.00 0.00 C ATOM 0 H LEU A -1 -0.403 -9.437 3.885 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.740 -10.491 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A -1 0.162 -8.134 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.702 -8.444 0.513 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.135 -8.042 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.436 -5.671 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -0.713 -6.051 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.406 -6.022 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.018 -7.400 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.003 -7.708 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.456 -9.051 1.319 1.00 0.00 H new ATOM 224 N MET A 0 1.602 -10.419 1.386 1.00 0.00 N ATOM 225 CA MET A 0 2.730 -10.944 0.611 1.00 0.00 C ATOM 226 C MET A 0 2.966 -12.443 0.878 1.00 0.00 C ATOM 227 O MET A 0 3.411 -13.165 -0.015 1.00 0.00 O ATOM 228 CB MET A 0 4.000 -10.107 0.839 1.00 0.00 C ATOM 229 CG MET A 0 4.583 -10.185 2.256 1.00 0.00 C ATOM 230 SD MET A 0 6.178 -9.347 2.460 1.00 0.00 S ATOM 231 CE MET A 0 5.624 -7.624 2.531 1.00 0.00 C ATOM 0 H MET A 0 1.870 -9.797 2.149 1.00 0.00 H new ATOM 0 HA MET A 0 2.470 -10.857 -0.444 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.762 -10.431 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.776 -9.065 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.867 -9.751 2.954 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.700 -11.234 2.530 1.00 0.00 H new ATOM 0 HE1 MET A 0 5.622 -7.201 1.527 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.616 -7.583 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.300 -7.050 3.165 1.00 0.00 H new ATOM 241 N GLU A 1 2.632 -12.931 2.079 1.00 0.00 N ATOM 242 CA GLU A 1 2.679 -14.358 2.429 1.00 0.00 C ATOM 243 C GLU A 1 1.566 -15.165 1.725 1.00 0.00 C ATOM 244 O GLU A 1 1.812 -16.283 1.266 1.00 0.00 O ATOM 245 CB GLU A 1 2.584 -14.493 3.957 1.00 0.00 C ATOM 246 CG GLU A 1 2.901 -15.908 4.458 1.00 0.00 C ATOM 247 CD GLU A 1 2.451 -16.078 5.913 1.00 0.00 C ATOM 248 OE1 GLU A 1 1.255 -16.408 6.112 1.00 0.00 O ATOM 249 OE2 GLU A 1 3.273 -15.900 6.840 1.00 0.00 O ATOM 0 H GLU A 1 2.317 -12.338 2.847 1.00 0.00 H new ATOM 0 HA GLU A 1 3.623 -14.776 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.273 -13.787 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.580 -14.217 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.400 -16.643 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.972 -16.097 4.378 1.00 0.00 H new ATOM 256 N GLY A 2 0.357 -14.600 1.598 1.00 0.00 N ATOM 257 CA GLY A 2 -0.760 -15.205 0.864 1.00 0.00 C ATOM 258 C GLY A 2 -0.502 -15.293 -0.645 1.00 0.00 C ATOM 259 O GLY A 2 -0.724 -16.344 -1.247 1.00 0.00 O ATOM 0 H GLY A 2 0.126 -13.696 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.946 -16.205 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.663 -14.621 1.040 1.00 0.00 H new ATOM 263 N GLY A 3 0.012 -14.213 -1.245 1.00 0.00 N ATOM 264 CA GLY A 3 0.542 -14.131 -2.616 1.00 0.00 C ATOM 265 C GLY A 3 -0.455 -14.262 -3.783 1.00 0.00 C ATOM 266 O GLY A 3 -0.288 -13.584 -4.800 1.00 0.00 O ATOM 0 H GLY A 3 0.074 -13.318 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.055 -13.175 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.295 -14.910 -2.731 1.00 0.00 H new ATOM 270 N GLY A 4 -1.480 -15.111 -3.669 1.00 0.00 N ATOM 271 CA GLY A 4 -2.455 -15.391 -4.732 1.00 0.00 C ATOM 272 C GLY A 4 -3.346 -14.186 -5.052 1.00 0.00 C ATOM 273 O GLY A 4 -3.981 -13.628 -4.161 1.00 0.00 O ATOM 0 H GLY A 4 -1.661 -15.637 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.925 -15.695 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.081 -16.231 -4.432 1.00 0.00 H new ATOM 277 N GLU A 5 -3.442 -13.818 -6.333 1.00 0.00 N ATOM 278 CA GLU A 5 -4.058 -12.563 -6.814 1.00 0.00 C ATOM 279 C GLU A 5 -5.555 -12.375 -6.484 1.00 0.00 C ATOM 280 O GLU A 5 -6.067 -11.257 -6.565 1.00 0.00 O ATOM 281 CB GLU A 5 -3.855 -12.449 -8.336 1.00 0.00 C ATOM 282 CG GLU A 5 -2.372 -12.364 -8.741 1.00 0.00 C ATOM 283 CD GLU A 5 -2.152 -12.186 -10.260 1.00 0.00 C ATOM 284 OE1 GLU A 5 -3.119 -12.240 -11.060 1.00 0.00 O ATOM 285 OE2 GLU A 5 -0.980 -12.002 -10.672 1.00 0.00 O ATOM 0 H GLU A 5 -3.085 -14.398 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.547 -11.770 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.310 -13.311 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.377 -11.564 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.908 -11.529 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.862 -13.270 -8.413 1.00 0.00 H new ATOM 292 N ASN A 6 -6.256 -13.445 -6.096 1.00 0.00 N ATOM 293 CA ASN A 6 -7.662 -13.432 -5.676 1.00 0.00 C ATOM 294 C ASN A 6 -7.868 -14.124 -4.308 1.00 0.00 C ATOM 295 O ASN A 6 -8.977 -14.565 -4.004 1.00 0.00 O ATOM 296 CB ASN A 6 -8.497 -14.065 -6.808 1.00 0.00 C ATOM 297 CG ASN A 6 -9.992 -13.809 -6.684 1.00 0.00 C ATOM 298 OD1 ASN A 6 -10.445 -12.728 -6.332 1.00 0.00 O ATOM 299 ND2 ASN A 6 -10.812 -14.776 -7.027 1.00 0.00 N ATOM 0 H ASN A 6 -5.845 -14.378 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.997 -12.407 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.149 -13.676 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.321 -15.141 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.820 -14.624 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.441 -15.679 -7.321 1.00 0.00 H new ATOM 306 N LEU A 7 -6.811 -14.271 -3.494 1.00 0.00 N ATOM 307 CA LEU A 7 -6.793 -15.075 -2.259 1.00 0.00 C ATOM 308 C LEU A 7 -7.395 -16.479 -2.492 1.00 0.00 C ATOM 309 O LEU A 7 -8.452 -16.825 -1.955 1.00 0.00 O ATOM 310 CB LEU A 7 -7.433 -14.285 -1.096 1.00 0.00 C ATOM 311 CG LEU A 7 -7.204 -14.913 0.296 1.00 0.00 C ATOM 312 CD1 LEU A 7 -5.754 -14.756 0.762 1.00 0.00 C ATOM 313 CD2 LEU A 7 -8.121 -14.248 1.324 1.00 0.00 C ATOM 0 H LEU A 7 -5.916 -13.820 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.761 -15.263 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.032 -13.272 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.505 -14.203 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.428 -15.976 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.637 -15.211 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.089 -15.248 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.503 -13.697 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.954 -14.696 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.902 -13.181 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.161 -14.393 1.031 1.00 0.00 H new ATOM 325 N TYR A 8 -6.769 -17.247 -3.387 1.00 0.00 N ATOM 326 CA TYR A 8 -7.306 -18.509 -3.905 1.00 0.00 C ATOM 327 C TYR A 8 -7.592 -19.623 -2.884 1.00 0.00 C ATOM 328 O TYR A 8 -6.738 -19.943 -2.053 1.00 0.00 O ATOM 329 CB TYR A 8 -6.488 -18.998 -5.109 1.00 0.00 C ATOM 330 CG TYR A 8 -6.691 -18.185 -6.376 1.00 0.00 C ATOM 331 CD1 TYR A 8 -7.864 -18.347 -7.140 1.00 0.00 C ATOM 332 CD2 TYR A 8 -5.700 -17.274 -6.797 1.00 0.00 C ATOM 333 CE1 TYR A 8 -8.044 -17.608 -8.325 1.00 0.00 C ATOM 334 CE2 TYR A 8 -5.877 -16.530 -7.981 1.00 0.00 C ATOM 335 CZ TYR A 8 -7.049 -16.700 -8.752 1.00 0.00 C ATOM 336 OH TYR A 8 -7.234 -15.988 -9.896 1.00 0.00 O ATOM 0 H TYR A 8 -5.859 -17.006 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.313 -18.252 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.430 -18.980 -4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.749 -20.037 -5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.627 -19.040 -6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.802 -17.146 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.944 -17.735 -8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.118 -15.831 -8.299 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.459 -15.408 -10.049 1.00 0.00 H new ATOM 346 N PHE A 9 -8.778 -20.237 -2.956 1.00 0.00 N ATOM 347 CA PHE A 9 -9.176 -21.348 -2.085 1.00 0.00 C ATOM 348 C PHE A 9 -8.513 -22.711 -2.362 1.00 0.00 C ATOM 349 O PHE A 9 -8.315 -23.089 -3.521 1.00 0.00 O ATOM 350 CB PHE A 9 -10.702 -21.398 -1.891 1.00 0.00 C ATOM 351 CG PHE A 9 -11.225 -22.681 -1.268 1.00 0.00 C ATOM 352 CD1 PHE A 9 -11.285 -22.805 0.134 1.00 0.00 C ATOM 353 CD2 PHE A 9 -11.603 -23.769 -2.080 1.00 0.00 C ATOM 354 CE1 PHE A 9 -11.714 -24.010 0.721 1.00 0.00 C ATOM 355 CE2 PHE A 9 -12.032 -24.974 -1.492 1.00 0.00 C ATOM 356 CZ PHE A 9 -12.085 -25.096 -0.093 1.00 0.00 C ATOM 0 H PHE A 9 -9.497 -19.973 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.742 -21.109 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.002 -20.558 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.182 -21.260 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.001 -21.972 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.563 -23.678 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.758 -24.101 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.321 -25.806 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.410 -26.022 0.357 1.00 0.00 H new ATOM 366 N GLN A 10 -8.199 -23.459 -1.301 1.00 0.00 N ATOM 367 CA GLN A 10 -7.725 -24.848 -1.329 1.00 0.00 C ATOM 368 C GLN A 10 -8.074 -25.574 -0.012 1.00 0.00 C ATOM 369 O GLN A 10 -8.477 -24.936 0.964 1.00 0.00 O ATOM 370 CB GLN A 10 -6.230 -24.924 -1.726 1.00 0.00 C ATOM 371 CG GLN A 10 -5.277 -23.900 -1.077 1.00 0.00 C ATOM 372 CD GLN A 10 -5.103 -24.060 0.428 1.00 0.00 C ATOM 373 OE1 GLN A 10 -5.270 -25.127 0.999 1.00 0.00 O ATOM 374 NE2 GLN A 10 -4.741 -23.003 1.123 1.00 0.00 N ATOM 0 H GLN A 10 -8.272 -23.095 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.254 -25.391 -2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.867 -25.923 -1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.161 -24.811 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.300 -23.981 -1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.649 -22.896 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.599 -22.108 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.602 -23.078 2.131 1.00 0.00 H new ATOM 383 N GLY A 11 -7.938 -26.905 0.021 1.00 0.00 N ATOM 384 CA GLY A 11 -8.450 -27.780 1.091 1.00 0.00 C ATOM 385 C GLY A 11 -7.953 -27.534 2.528 1.00 0.00 C ATOM 386 O GLY A 11 -8.622 -27.964 3.471 1.00 0.00 O ATOM 0 H GLY A 11 -7.456 -27.421 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.537 -27.700 1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.207 -28.809 0.825 1.00 0.00 H new ATOM 390 N MET A 12 -6.832 -26.832 2.731 1.00 0.00 N ATOM 391 CA MET A 12 -6.341 -26.428 4.063 1.00 0.00 C ATOM 392 C MET A 12 -7.009 -25.141 4.593 1.00 0.00 C ATOM 393 O MET A 12 -6.843 -24.812 5.769 1.00 0.00 O ATOM 394 CB MET A 12 -4.812 -26.243 4.041 1.00 0.00 C ATOM 395 CG MET A 12 -4.057 -27.470 3.509 1.00 0.00 C ATOM 396 SD MET A 12 -2.246 -27.319 3.518 1.00 0.00 S ATOM 397 CE MET A 12 -2.008 -26.060 2.231 1.00 0.00 C ATOM 0 H MET A 12 -6.230 -26.522 1.968 1.00 0.00 H new ATOM 0 HA MET A 12 -6.611 -27.235 4.744 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.567 -25.379 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.466 -26.022 5.051 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.337 -28.338 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.385 -27.666 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.943 -25.945 2.027 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.520 -26.370 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.417 -25.109 2.572 1.00 0.00 H new ATOM 407 N SER A 13 -7.767 -24.436 3.741 1.00 0.00 N ATOM 408 CA SER A 13 -8.338 -23.087 3.919 1.00 0.00 C ATOM 409 C SER A 13 -7.302 -21.968 4.104 1.00 0.00 C ATOM 410 O SER A 13 -6.576 -21.935 5.098 1.00 0.00 O ATOM 411 CB SER A 13 -9.402 -23.035 5.025 1.00 0.00 C ATOM 412 OG SER A 13 -10.548 -23.789 4.656 1.00 0.00 O ATOM 0 H SER A 13 -8.019 -24.825 2.832 1.00 0.00 H new ATOM 0 HA SER A 13 -8.826 -22.886 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.987 -23.426 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.687 -22.000 5.214 1.00 0.00 H new ATOM 0 HG SER A 13 -11.214 -23.745 5.374 1.00 0.00 H new ATOM 418 N VAL A 14 -7.303 -21.002 3.171 1.00 0.00 N ATOM 419 CA VAL A 14 -6.395 -19.834 3.091 1.00 0.00 C ATOM 420 C VAL A 14 -4.906 -20.169 2.839 1.00 0.00 C ATOM 421 O VAL A 14 -4.333 -20.995 3.555 1.00 0.00 O ATOM 422 CB VAL A 14 -6.583 -18.847 4.271 1.00 0.00 C ATOM 423 CG1 VAL A 14 -5.963 -17.473 3.985 1.00 0.00 C ATOM 424 CG2 VAL A 14 -8.061 -18.611 4.628 1.00 0.00 C ATOM 0 H VAL A 14 -7.976 -21.011 2.404 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.713 -19.322 2.183 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.075 -19.328 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.121 -16.817 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.894 -17.586 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.433 -17.038 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.127 -17.911 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.582 -18.197 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.522 -19.557 4.911 1.00 0.00 H new ATOM 434 N PRO A 15 -4.229 -19.554 1.843 1.00 0.00 N ATOM 435 CA PRO A 15 -2.783 -19.708 1.662 1.00 0.00 C ATOM 436 C PRO A 15 -2.027 -19.046 2.829 1.00 0.00 C ATOM 437 O PRO A 15 -2.078 -17.823 2.997 1.00 0.00 O ATOM 438 CB PRO A 15 -2.467 -19.065 0.307 1.00 0.00 C ATOM 439 CG PRO A 15 -3.561 -18.012 0.139 1.00 0.00 C ATOM 440 CD PRO A 15 -4.766 -18.651 0.827 1.00 0.00 C ATOM 0 HA PRO A 15 -2.466 -20.751 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.474 -18.615 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.491 -19.798 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.285 -17.066 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.761 -17.803 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.403 -17.891 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.380 -19.195 0.109 1.00 0.00 H new ATOM 448 N THR A 16 -1.342 -19.857 3.642 1.00 0.00 N ATOM 449 CA THR A 16 -0.727 -19.467 4.929 1.00 0.00 C ATOM 450 C THR A 16 0.645 -20.080 5.223 1.00 0.00 C ATOM 451 O THR A 16 0.869 -21.248 4.907 1.00 0.00 O ATOM 452 CB THR A 16 -1.681 -19.624 6.136 1.00 0.00 C ATOM 453 OG1 THR A 16 -3.042 -19.462 5.785 1.00 0.00 O ATOM 454 CG2 THR A 16 -1.406 -18.621 7.259 1.00 0.00 C ATOM 0 H THR A 16 -1.191 -20.841 3.420 1.00 0.00 H new ATOM 0 HA THR A 16 -0.537 -18.403 4.787 1.00 0.00 H new ATOM 0 HB THR A 16 -1.488 -20.640 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.300 -20.159 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.110 -18.786 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.388 -18.755 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.524 -17.607 6.878 1.00 0.00 H new ATOM 462 N ASP A 17 1.555 -19.289 5.807 1.00 0.00 N ATOM 463 CA ASP A 17 2.892 -19.658 6.304 1.00 0.00 C ATOM 464 C ASP A 17 3.631 -20.848 5.656 1.00 0.00 C ATOM 465 O ASP A 17 4.360 -20.676 4.676 1.00 0.00 O ATOM 466 CB ASP A 17 3.004 -19.617 7.844 1.00 0.00 C ATOM 467 CG ASP A 17 1.898 -20.356 8.620 1.00 0.00 C ATOM 468 OD1 ASP A 17 1.442 -21.433 8.169 1.00 0.00 O ATOM 469 OD2 ASP A 17 1.534 -19.896 9.729 1.00 0.00 O ATOM 0 H ASP A 17 1.363 -18.298 5.957 1.00 0.00 H new ATOM 0 HA ASP A 17 3.485 -18.835 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.967 -20.041 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.008 -18.574 8.161 1.00 0.00 H new ATOM 474 N GLY A 18 3.440 -22.055 6.196 1.00 0.00 N ATOM 475 CA GLY A 18 4.126 -23.284 5.784 1.00 0.00 C ATOM 476 C GLY A 18 3.814 -23.762 4.358 1.00 0.00 C ATOM 477 O GLY A 18 4.554 -24.589 3.823 1.00 0.00 O ATOM 0 H GLY A 18 2.781 -22.209 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.201 -23.127 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.863 -24.079 6.482 1.00 0.00 H new ATOM 481 N ALA A 19 2.772 -23.225 3.712 1.00 0.00 N ATOM 482 CA ALA A 19 2.409 -23.548 2.329 1.00 0.00 C ATOM 483 C ALA A 19 3.509 -23.179 1.309 1.00 0.00 C ATOM 484 O ALA A 19 3.652 -23.858 0.289 1.00 0.00 O ATOM 485 CB ALA A 19 1.088 -22.840 2.002 1.00 0.00 C ATOM 0 H ALA A 19 2.148 -22.543 4.143 1.00 0.00 H new ATOM 0 HA ALA A 19 2.293 -24.629 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.798 -23.066 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.311 -23.186 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.215 -21.763 2.114 1.00 0.00 H new ATOM 491 N VAL A 20 4.316 -22.142 1.583 1.00 0.00 N ATOM 492 CA VAL A 20 5.497 -21.799 0.763 1.00 0.00 C ATOM 493 C VAL A 20 6.647 -22.803 0.894 1.00 0.00 C ATOM 494 O VAL A 20 7.314 -23.122 -0.091 1.00 0.00 O ATOM 495 CB VAL A 20 5.953 -20.327 0.920 1.00 0.00 C ATOM 496 CG1 VAL A 20 4.776 -19.351 1.060 1.00 0.00 C ATOM 497 CG2 VAL A 20 6.911 -20.096 2.096 1.00 0.00 C ATOM 0 H VAL A 20 4.172 -21.517 2.376 1.00 0.00 H new ATOM 0 HA VAL A 20 5.155 -21.887 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 20 6.489 -20.126 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.156 -18.335 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.146 -19.411 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.189 -19.613 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.185 -19.042 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.421 -20.383 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.809 -20.699 1.958 1.00 0.00 H new ATOM 507 N THR A 21 6.837 -23.364 2.092 1.00 0.00 N ATOM 508 CA THR A 21 7.831 -24.409 2.395 1.00 0.00 C ATOM 509 C THR A 21 7.649 -25.744 1.665 1.00 0.00 C ATOM 510 O THR A 21 8.621 -26.454 1.403 1.00 0.00 O ATOM 511 CB THR A 21 8.027 -24.616 3.913 1.00 0.00 C ATOM 512 OG1 THR A 21 7.721 -23.440 4.643 1.00 0.00 O ATOM 513 CG2 THR A 21 9.456 -25.020 4.278 1.00 0.00 C ATOM 0 H THR A 21 6.286 -23.097 2.908 1.00 0.00 H new ATOM 0 HA THR A 21 8.752 -24.000 1.979 1.00 0.00 H new ATOM 0 HB THR A 21 7.344 -25.423 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.854 -23.605 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.533 -25.151 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.708 -25.956 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.148 -24.241 3.957 1.00 0.00 H new ATOM 521 N THR A 22 6.412 -26.061 1.268 1.00 0.00 N ATOM 522 CA THR A 22 6.069 -27.208 0.406 1.00 0.00 C ATOM 523 C THR A 22 6.578 -27.163 -1.044 1.00 0.00 C ATOM 524 O THR A 22 6.604 -28.187 -1.730 1.00 0.00 O ATOM 525 CB THR A 22 4.563 -27.563 0.460 1.00 0.00 C ATOM 526 OG1 THR A 22 3.955 -27.112 1.655 1.00 0.00 O ATOM 527 CG2 THR A 22 4.293 -29.067 0.367 1.00 0.00 C ATOM 0 H THR A 22 5.596 -25.514 1.543 1.00 0.00 H new ATOM 0 HA THR A 22 6.642 -28.017 0.860 1.00 0.00 H new ATOM 0 HB THR A 22 4.138 -27.060 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.005 -27.354 1.650 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.219 -29.247 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.687 -29.450 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.780 -29.576 1.198 1.00 0.00 H new ATOM 535 N SER A 23 6.994 -25.986 -1.526 1.00 0.00 N ATOM 536 CA SER A 23 7.511 -25.790 -2.890 1.00 0.00 C ATOM 537 C SER A 23 8.883 -26.454 -3.112 1.00 0.00 C ATOM 538 O SER A 23 9.677 -26.617 -2.179 1.00 0.00 O ATOM 539 CB SER A 23 7.585 -24.294 -3.207 1.00 0.00 C ATOM 540 OG SER A 23 7.904 -24.103 -4.576 1.00 0.00 O ATOM 0 H SER A 23 6.982 -25.129 -0.973 1.00 0.00 H new ATOM 0 HA SER A 23 6.815 -26.279 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.632 -23.818 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.339 -23.818 -2.580 1.00 0.00 H new ATOM 0 HG SER A 23 7.948 -23.144 -4.771 1.00 0.00 H new ATOM 546 N GLN A 24 9.182 -26.821 -4.364 1.00 0.00 N ATOM 547 CA GLN A 24 10.454 -27.434 -4.777 1.00 0.00 C ATOM 548 C GLN A 24 11.659 -26.471 -4.676 1.00 0.00 C ATOM 549 O GLN A 24 12.799 -26.922 -4.534 1.00 0.00 O ATOM 550 CB GLN A 24 10.269 -27.979 -6.207 1.00 0.00 C ATOM 551 CG GLN A 24 11.505 -28.715 -6.757 1.00 0.00 C ATOM 552 CD GLN A 24 11.236 -29.502 -8.043 1.00 0.00 C ATOM 553 OE1 GLN A 24 10.191 -29.417 -8.679 1.00 0.00 O ATOM 554 NE2 GLN A 24 12.180 -30.307 -8.487 1.00 0.00 N ATOM 0 H GLN A 24 8.530 -26.697 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 24 10.696 -28.245 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.418 -28.659 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.025 -27.151 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.295 -27.988 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.877 -29.399 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.058 -30.395 -7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.033 -30.843 -9.342 1.00 0.00 H new ATOM 563 N ILE A 25 11.414 -25.156 -4.715 1.00 0.00 N ATOM 564 CA ILE A 25 12.421 -24.083 -4.624 1.00 0.00 C ATOM 565 C ILE A 25 11.932 -22.930 -3.718 1.00 0.00 C ATOM 566 O ILE A 25 10.718 -22.743 -3.577 1.00 0.00 O ATOM 567 CB ILE A 25 12.866 -23.567 -6.023 1.00 0.00 C ATOM 568 CG1 ILE A 25 11.853 -23.706 -7.184 1.00 0.00 C ATOM 569 CG2 ILE A 25 14.146 -24.310 -6.442 1.00 0.00 C ATOM 570 CD1 ILE A 25 10.590 -22.858 -6.998 1.00 0.00 C ATOM 0 H ILE A 25 10.467 -24.791 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 25 13.306 -24.517 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 25 12.995 -22.495 -5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.339 -23.419 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.567 -24.753 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.468 -23.957 -7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.932 -24.120 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.946 -25.380 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.925 -23.005 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.081 -23.160 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.865 -21.806 -6.930 1.00 0.00 H new ATOM 582 N PRO A 26 12.834 -22.162 -3.072 1.00 0.00 N ATOM 583 CA PRO A 26 12.456 -21.125 -2.109 1.00 0.00 C ATOM 584 C PRO A 26 11.696 -19.951 -2.752 1.00 0.00 C ATOM 585 O PRO A 26 12.038 -19.479 -3.840 1.00 0.00 O ATOM 586 CB PRO A 26 13.764 -20.670 -1.453 1.00 0.00 C ATOM 587 CG PRO A 26 14.818 -20.975 -2.516 1.00 0.00 C ATOM 588 CD PRO A 26 14.285 -22.250 -3.164 1.00 0.00 C ATOM 0 HA PRO A 26 11.755 -21.524 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.740 -19.609 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.959 -21.211 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.912 -20.163 -3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.804 -21.126 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.608 -22.326 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.657 -23.136 -2.649 1.00 0.00 H new ATOM 596 N ALA A 27 10.674 -19.459 -2.047 1.00 0.00 N ATOM 597 CA ALA A 27 9.905 -18.267 -2.411 1.00 0.00 C ATOM 598 C ALA A 27 10.688 -16.956 -2.162 1.00 0.00 C ATOM 599 O ALA A 27 11.724 -16.949 -1.493 1.00 0.00 O ATOM 600 CB ALA A 27 8.585 -18.303 -1.626 1.00 0.00 C ATOM 0 H ALA A 27 10.350 -19.892 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 27 9.705 -18.279 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.989 -17.426 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.031 -19.205 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.797 -18.304 -0.557 1.00 0.00 H new ATOM 606 N SER A 28 10.163 -15.835 -2.675 1.00 0.00 N ATOM 607 CA SER A 28 10.640 -14.443 -2.499 1.00 0.00 C ATOM 608 C SER A 28 12.029 -14.102 -3.082 1.00 0.00 C ATOM 609 O SER A 28 12.285 -12.939 -3.399 1.00 0.00 O ATOM 610 CB SER A 28 10.534 -14.050 -1.014 1.00 0.00 C ATOM 611 OG SER A 28 10.744 -12.661 -0.807 1.00 0.00 O ATOM 0 H SER A 28 9.334 -15.872 -3.268 1.00 0.00 H new ATOM 0 HA SER A 28 9.974 -13.836 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.549 -14.326 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.266 -14.616 -0.438 1.00 0.00 H new ATOM 0 HG SER A 28 11.513 -12.531 -0.213 1.00 0.00 H new ATOM 617 N GLU A 29 12.931 -15.072 -3.265 1.00 0.00 N ATOM 618 CA GLU A 29 14.294 -14.846 -3.783 1.00 0.00 C ATOM 619 C GLU A 29 14.307 -14.397 -5.264 1.00 0.00 C ATOM 620 O GLU A 29 15.158 -13.599 -5.665 1.00 0.00 O ATOM 621 CB GLU A 29 15.125 -16.120 -3.548 1.00 0.00 C ATOM 622 CG GLU A 29 16.616 -15.926 -3.872 1.00 0.00 C ATOM 623 CD GLU A 29 17.471 -17.198 -3.688 1.00 0.00 C ATOM 624 OE1 GLU A 29 17.054 -18.152 -2.987 1.00 0.00 O ATOM 625 OE2 GLU A 29 18.598 -17.240 -4.239 1.00 0.00 O ATOM 0 H GLU A 29 12.737 -16.051 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 29 14.745 -14.016 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.021 -16.430 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.726 -16.927 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.711 -15.583 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.016 -15.137 -3.235 1.00 0.00 H new ATOM 632 N GLN A 30 13.327 -14.846 -6.059 1.00 0.00 N ATOM 633 CA GLN A 30 13.044 -14.377 -7.422 1.00 0.00 C ATOM 634 C GLN A 30 11.530 -14.224 -7.652 1.00 0.00 C ATOM 635 O GLN A 30 10.741 -15.081 -7.246 1.00 0.00 O ATOM 636 CB GLN A 30 13.648 -15.309 -8.494 1.00 0.00 C ATOM 637 CG GLN A 30 15.187 -15.311 -8.578 1.00 0.00 C ATOM 638 CD GLN A 30 15.906 -16.276 -7.629 1.00 0.00 C ATOM 639 OE1 GLN A 30 15.328 -17.127 -6.963 1.00 0.00 O ATOM 640 NE2 GLN A 30 17.219 -16.203 -7.554 1.00 0.00 N ATOM 0 H GLN A 30 12.683 -15.577 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 30 13.518 -13.401 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.311 -16.327 -8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.248 -15.023 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.476 -15.554 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.544 -14.301 -8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.723 -15.503 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.732 -16.846 -6.951 1.00 0.00 H new ATOM 649 N GLU A 31 11.124 -13.146 -8.329 1.00 0.00 N ATOM 650 CA GLU A 31 9.736 -12.847 -8.715 1.00 0.00 C ATOM 651 C GLU A 31 9.706 -11.843 -9.889 1.00 0.00 C ATOM 652 O GLU A 31 10.608 -11.012 -10.028 1.00 0.00 O ATOM 653 CB GLU A 31 8.970 -12.303 -7.490 1.00 0.00 C ATOM 654 CG GLU A 31 7.469 -12.100 -7.739 1.00 0.00 C ATOM 655 CD GLU A 31 6.749 -11.609 -6.473 1.00 0.00 C ATOM 656 OE1 GLU A 31 7.155 -10.556 -5.927 1.00 0.00 O ATOM 657 OE2 GLU A 31 5.757 -12.249 -6.050 1.00 0.00 O ATOM 0 H GLU A 31 11.778 -12.426 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 31 9.247 -13.760 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.101 -12.992 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.411 -11.352 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.327 -11.378 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.024 -13.038 -8.071 1.00 0.00 H new ATOM 664 N THR A 32 8.679 -11.905 -10.740 1.00 0.00 N ATOM 665 CA THR A 32 8.469 -10.977 -11.868 1.00 0.00 C ATOM 666 C THR A 32 8.310 -9.493 -11.510 1.00 0.00 C ATOM 667 O THR A 32 7.609 -9.155 -10.552 1.00 0.00 O ATOM 668 CB THR A 32 7.347 -11.440 -12.821 1.00 0.00 C ATOM 669 OG1 THR A 32 7.178 -12.847 -12.781 1.00 0.00 O ATOM 670 CG2 THR A 32 7.600 -11.044 -14.277 1.00 0.00 C ATOM 0 H THR A 32 7.951 -12.615 -10.667 1.00 0.00 H new ATOM 0 HA THR A 32 9.422 -11.030 -12.394 1.00 0.00 H new ATOM 0 HB THR A 32 6.448 -10.936 -12.465 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.459 -13.108 -13.394 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.777 -11.397 -14.898 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.671 -9.959 -14.352 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.532 -11.493 -14.620 1.00 0.00 H new ATOM 678 N LEU A 33 8.922 -8.595 -12.293 1.00 0.00 N ATOM 679 CA LEU A 33 8.728 -7.141 -12.176 1.00 0.00 C ATOM 680 C LEU A 33 7.334 -6.712 -12.676 1.00 0.00 C ATOM 681 O LEU A 33 6.804 -7.278 -13.635 1.00 0.00 O ATOM 682 CB LEU A 33 9.835 -6.385 -12.939 1.00 0.00 C ATOM 683 CG LEU A 33 11.273 -6.655 -12.455 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.265 -5.989 -13.410 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.526 -6.106 -11.049 1.00 0.00 C ATOM 0 H LEU A 33 9.572 -8.859 -13.033 1.00 0.00 H new ATOM 0 HA LEU A 33 8.792 -6.883 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.770 -6.648 -13.995 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.639 -5.315 -12.864 1.00 0.00 H new ATOM 0 HG LEU A 33 11.406 -7.737 -12.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.282 -6.179 -13.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.136 -6.398 -14.412 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.084 -4.914 -13.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.553 -6.321 -10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.366 -5.028 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.840 -6.577 -10.345 1.00 0.00 H new ATOM 697 N VAL A 34 6.756 -5.693 -12.033 1.00 0.00 N ATOM 698 CA VAL A 34 5.371 -5.215 -12.255 1.00 0.00 C ATOM 699 C VAL A 34 5.240 -3.899 -13.022 1.00 0.00 C ATOM 700 O VAL A 34 4.194 -3.635 -13.613 1.00 0.00 O ATOM 701 CB VAL A 34 4.552 -5.181 -10.945 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.877 -6.352 -10.021 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.744 -3.903 -10.117 1.00 0.00 C ATOM 0 H VAL A 34 7.247 -5.155 -11.319 1.00 0.00 H new ATOM 0 HA VAL A 34 4.944 -5.966 -12.920 1.00 0.00 H new ATOM 0 HB VAL A 34 3.522 -5.233 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.274 -6.279 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.655 -7.290 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.934 -6.324 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.135 -3.959 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.794 -3.803 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.440 -3.038 -10.707 1.00 0.00 H new ATOM 713 N ARG A 35 6.296 -3.077 -12.982 1.00 0.00 N ATOM 714 CA ARG A 35 6.382 -1.705 -13.523 1.00 0.00 C ATOM 715 C ARG A 35 5.163 -0.833 -13.126 1.00 0.00 C ATOM 716 O ARG A 35 4.285 -0.579 -13.957 1.00 0.00 O ATOM 717 CB ARG A 35 6.663 -1.775 -15.040 1.00 0.00 C ATOM 718 CG ARG A 35 7.007 -0.407 -15.653 1.00 0.00 C ATOM 719 CD ARG A 35 7.331 -0.554 -17.145 1.00 0.00 C ATOM 720 NE ARG A 35 7.644 0.753 -17.762 1.00 0.00 N ATOM 721 CZ ARG A 35 6.802 1.580 -18.361 1.00 0.00 C ATOM 722 NH1 ARG A 35 5.521 1.348 -18.422 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.239 2.675 -18.913 1.00 0.00 N ATOM 0 H ARG A 35 7.171 -3.366 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 35 7.223 -1.183 -13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.488 -2.465 -15.219 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.789 -2.184 -15.547 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.169 0.278 -15.522 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.859 0.028 -15.131 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.178 -1.229 -17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.484 -1.007 -17.660 1.00 0.00 H new ATOM 0 HE ARG A 35 8.619 1.051 -17.721 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.135 0.504 -17.999 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.905 2.010 -18.893 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.234 2.898 -18.885 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.587 3.309 -19.374 1.00 0.00 H new ATOM 737 N PRO A 36 5.064 -0.417 -11.847 1.00 0.00 N ATOM 738 CA PRO A 36 3.894 0.293 -11.326 1.00 0.00 C ATOM 739 C PRO A 36 3.766 1.730 -11.861 1.00 0.00 C ATOM 740 O PRO A 36 4.713 2.288 -12.424 1.00 0.00 O ATOM 741 CB PRO A 36 4.056 0.264 -9.805 1.00 0.00 C ATOM 742 CG PRO A 36 5.564 0.202 -9.585 1.00 0.00 C ATOM 743 CD PRO A 36 6.083 -0.552 -10.811 1.00 0.00 C ATOM 0 HA PRO A 36 2.973 -0.189 -11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.623 1.151 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.555 -0.600 -9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.999 1.199 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.812 -0.319 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.034 -0.138 -11.147 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.258 -1.602 -10.575 1.00 0.00 H new ATOM 751 N LYS A 37 2.595 2.350 -11.648 1.00 0.00 N ATOM 752 CA LYS A 37 2.342 3.771 -11.958 1.00 0.00 C ATOM 753 C LYS A 37 3.358 4.707 -11.275 1.00 0.00 C ATOM 754 O LYS A 37 3.764 4.423 -10.143 1.00 0.00 O ATOM 755 CB LYS A 37 0.905 4.173 -11.565 1.00 0.00 C ATOM 756 CG LYS A 37 -0.175 3.498 -12.427 1.00 0.00 C ATOM 757 CD LYS A 37 -1.552 4.176 -12.323 1.00 0.00 C ATOM 758 CE LYS A 37 -2.097 4.266 -10.889 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.457 4.869 -10.863 1.00 0.00 N ATOM 0 H LYS A 37 1.785 1.875 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 37 2.461 3.883 -13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.737 3.917 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.802 5.255 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.146 3.503 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.269 2.454 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.483 5.181 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.264 3.625 -12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.130 3.270 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.421 4.863 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.797 4.916 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.419 5.828 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.107 4.285 -11.427 1.00 0.00 H new ATOM 773 N PRO A 38 3.713 5.860 -11.881 1.00 0.00 N ATOM 774 CA PRO A 38 4.632 6.830 -11.272 1.00 0.00 C ATOM 775 C PRO A 38 4.112 7.383 -9.934 1.00 0.00 C ATOM 776 O PRO A 38 4.905 7.650 -9.030 1.00 0.00 O ATOM 777 CB PRO A 38 4.817 7.934 -12.322 1.00 0.00 C ATOM 778 CG PRO A 38 3.555 7.846 -13.178 1.00 0.00 C ATOM 779 CD PRO A 38 3.250 6.351 -13.175 1.00 0.00 C ATOM 0 HA PRO A 38 5.581 6.359 -11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.916 8.915 -11.857 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.715 7.772 -12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.736 8.427 -12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.723 8.223 -14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.183 6.168 -13.305 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.762 5.844 -13.993 1.00 0.00 H new ATOM 787 N LEU A 39 2.786 7.478 -9.767 1.00 0.00 N ATOM 788 CA LEU A 39 2.132 7.869 -8.512 1.00 0.00 C ATOM 789 C LEU A 39 2.452 6.902 -7.356 1.00 0.00 C ATOM 790 O LEU A 39 2.716 7.344 -6.237 1.00 0.00 O ATOM 791 CB LEU A 39 0.614 7.966 -8.778 1.00 0.00 C ATOM 792 CG LEU A 39 -0.222 8.502 -7.599 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.066 9.982 -7.339 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.713 8.362 -7.909 1.00 0.00 C ATOM 0 H LEU A 39 2.124 7.281 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 39 2.516 8.837 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.452 8.612 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.244 6.977 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 39 0.048 7.919 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.540 10.329 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.122 10.111 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.179 10.562 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.296 8.743 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.953 8.932 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.954 7.311 -8.071 1.00 0.00 H new ATOM 806 N LEU A 40 2.471 5.589 -7.628 1.00 0.00 N ATOM 807 CA LEU A 40 2.852 4.568 -6.650 1.00 0.00 C ATOM 808 C LEU A 40 4.363 4.530 -6.440 1.00 0.00 C ATOM 809 O LEU A 40 4.823 4.512 -5.304 1.00 0.00 O ATOM 810 CB LEU A 40 2.314 3.192 -7.085 1.00 0.00 C ATOM 811 CG LEU A 40 2.624 2.059 -6.084 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.074 2.345 -4.686 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.980 0.756 -6.552 1.00 0.00 C ATOM 0 H LEU A 40 2.220 5.207 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 40 2.403 4.829 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.235 3.260 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.741 2.935 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 40 3.710 1.984 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.320 1.517 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.518 3.263 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.991 2.460 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.204 -0.037 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.900 0.888 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.375 0.486 -7.531 1.00 0.00 H new ATOM 825 N LEU A 41 5.144 4.572 -7.520 1.00 0.00 N ATOM 826 CA LEU A 41 6.608 4.581 -7.462 1.00 0.00 C ATOM 827 C LEU A 41 7.148 5.735 -6.596 1.00 0.00 C ATOM 828 O LEU A 41 8.061 5.533 -5.795 1.00 0.00 O ATOM 829 CB LEU A 41 7.133 4.617 -8.907 1.00 0.00 C ATOM 830 CG LEU A 41 8.655 4.763 -9.040 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.408 3.652 -8.309 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.041 4.724 -10.517 1.00 0.00 C ATOM 0 H LEU A 41 4.775 4.601 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 41 6.970 3.678 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.825 3.702 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.656 5.446 -9.430 1.00 0.00 H new ATOM 0 HG LEU A 41 8.932 5.715 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.481 3.798 -8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.157 3.679 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.124 2.685 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.122 4.828 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.727 3.774 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.550 5.542 -11.043 1.00 0.00 H new ATOM 844 N LYS A 42 6.534 6.922 -6.682 1.00 0.00 N ATOM 845 CA LYS A 42 6.827 8.068 -5.807 1.00 0.00 C ATOM 846 C LYS A 42 6.600 7.758 -4.319 1.00 0.00 C ATOM 847 O LYS A 42 7.412 8.156 -3.486 1.00 0.00 O ATOM 848 CB LYS A 42 5.956 9.251 -6.268 1.00 0.00 C ATOM 849 CG LYS A 42 6.122 10.510 -5.399 1.00 0.00 C ATOM 850 CD LYS A 42 5.326 11.709 -5.934 1.00 0.00 C ATOM 851 CE LYS A 42 3.807 11.493 -5.857 1.00 0.00 C ATOM 852 NZ LYS A 42 3.068 12.704 -6.306 1.00 0.00 N ATOM 0 H LYS A 42 5.808 7.118 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 42 7.885 8.314 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.206 9.496 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.909 8.947 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.799 10.289 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.178 10.774 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.592 12.600 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.610 11.896 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.526 10.642 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.523 11.249 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.045 12.529 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.320 13.509 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.323 12.921 -7.291 1.00 0.00 H new ATOM 866 N LEU A 43 5.539 7.019 -3.979 1.00 0.00 N ATOM 867 CA LEU A 43 5.280 6.547 -2.610 1.00 0.00 C ATOM 868 C LEU A 43 6.400 5.612 -2.124 1.00 0.00 C ATOM 869 O LEU A 43 6.925 5.820 -1.031 1.00 0.00 O ATOM 870 CB LEU A 43 3.873 5.917 -2.532 1.00 0.00 C ATOM 871 CG LEU A 43 3.423 5.459 -1.129 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.900 5.330 -1.112 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.973 4.081 -0.742 1.00 0.00 C ATOM 0 H LEU A 43 4.828 6.728 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 43 5.289 7.393 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.149 6.641 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.842 5.058 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 43 3.799 6.204 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.573 5.007 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.450 6.295 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.589 4.596 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.621 3.816 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.627 3.337 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.063 4.110 -0.746 1.00 0.00 H new ATOM 885 N LEU A 44 6.838 4.649 -2.948 1.00 0.00 N ATOM 886 CA LEU A 44 7.986 3.783 -2.617 1.00 0.00 C ATOM 887 C LEU A 44 9.260 4.618 -2.386 1.00 0.00 C ATOM 888 O LEU A 44 9.986 4.427 -1.409 1.00 0.00 O ATOM 889 CB LEU A 44 8.227 2.704 -3.704 1.00 0.00 C ATOM 890 CG LEU A 44 6.990 2.039 -4.333 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.405 1.041 -5.413 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.098 1.314 -3.328 1.00 0.00 C ATOM 0 H LEU A 44 6.414 4.447 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 44 7.742 3.265 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.808 3.159 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.845 1.919 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 44 6.411 2.859 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.516 0.582 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.961 1.560 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.034 0.268 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.248 0.872 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.670 0.528 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.738 2.023 -2.583 1.00 0.00 H new ATOM 904 N LYS A 45 9.512 5.607 -3.249 1.00 0.00 N ATOM 905 CA LYS A 45 10.642 6.542 -3.137 1.00 0.00 C ATOM 906 C LYS A 45 10.586 7.474 -1.924 1.00 0.00 C ATOM 907 O LYS A 45 11.642 7.846 -1.416 1.00 0.00 O ATOM 908 CB LYS A 45 10.774 7.327 -4.444 1.00 0.00 C ATOM 909 CG LYS A 45 11.364 6.431 -5.541 1.00 0.00 C ATOM 910 CD LYS A 45 11.229 7.119 -6.892 1.00 0.00 C ATOM 911 CE LYS A 45 11.953 6.317 -7.971 1.00 0.00 C ATOM 912 NZ LYS A 45 12.099 7.092 -9.232 1.00 0.00 N ATOM 0 H LYS A 45 8.925 5.786 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 45 11.534 5.939 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.797 7.699 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.413 8.197 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.413 6.225 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.847 5.471 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.175 7.222 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.644 8.126 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.938 6.026 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.403 5.398 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.595 6.513 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.158 7.348 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.646 7.957 -9.047 1.00 0.00 H new ATOM 926 N SER A 46 9.400 7.786 -1.393 1.00 0.00 N ATOM 927 CA SER A 46 9.260 8.554 -0.142 1.00 0.00 C ATOM 928 C SER A 46 9.813 7.791 1.078 1.00 0.00 C ATOM 929 O SER A 46 10.283 8.420 2.029 1.00 0.00 O ATOM 930 CB SER A 46 7.802 8.977 0.081 1.00 0.00 C ATOM 931 OG SER A 46 7.012 7.937 0.624 1.00 0.00 O ATOM 0 H SER A 46 8.510 7.517 -1.813 1.00 0.00 H new ATOM 0 HA SER A 46 9.864 9.455 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.775 9.837 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.371 9.298 -0.867 1.00 0.00 H new ATOM 0 HG SER A 46 6.837 7.265 -0.067 1.00 0.00 H new ATOM 937 N VAL A 47 9.840 6.448 1.024 1.00 0.00 N ATOM 938 CA VAL A 47 10.533 5.565 1.987 1.00 0.00 C ATOM 939 C VAL A 47 11.885 5.040 1.457 1.00 0.00 C ATOM 940 O VAL A 47 12.459 4.105 2.020 1.00 0.00 O ATOM 941 CB VAL A 47 9.605 4.459 2.536 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.360 5.054 3.204 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.149 3.455 1.474 1.00 0.00 C ATOM 0 H VAL A 47 9.366 5.927 0.286 1.00 0.00 H new ATOM 0 HA VAL A 47 10.794 6.182 2.847 1.00 0.00 H new ATOM 0 HB VAL A 47 10.212 3.925 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.728 4.249 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.663 5.694 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.803 5.643 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.501 2.709 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.601 3.978 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.020 2.962 1.041 1.00 0.00 H new ATOM 953 N GLY A 48 12.430 5.670 0.408 1.00 0.00 N ATOM 954 CA GLY A 48 13.802 5.469 -0.075 1.00 0.00 C ATOM 955 C GLY A 48 14.026 4.297 -1.035 1.00 0.00 C ATOM 956 O GLY A 48 15.116 3.718 -1.025 1.00 0.00 O ATOM 0 H GLY A 48 11.913 6.354 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.126 6.383 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.451 5.330 0.790 1.00 0.00 H new ATOM 960 N ALA A 49 13.039 3.918 -1.856 1.00 0.00 N ATOM 961 CA ALA A 49 13.191 2.835 -2.825 1.00 0.00 C ATOM 962 C ALA A 49 14.145 3.259 -3.975 1.00 0.00 C ATOM 963 O ALA A 49 13.962 4.317 -4.582 1.00 0.00 O ATOM 964 CB ALA A 49 11.781 2.435 -3.262 1.00 0.00 C ATOM 0 H ALA A 49 12.117 4.354 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 49 13.673 1.954 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.841 1.625 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.212 2.101 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.283 3.293 -3.714 1.00 0.00 H new ATOM 970 N GLN A 50 15.193 2.469 -4.249 1.00 0.00 N ATOM 971 CA GLN A 50 16.314 2.852 -5.133 1.00 0.00 C ATOM 972 C GLN A 50 16.068 2.697 -6.651 1.00 0.00 C ATOM 973 O GLN A 50 16.520 3.533 -7.440 1.00 0.00 O ATOM 974 CB GLN A 50 17.553 2.051 -4.679 1.00 0.00 C ATOM 975 CG GLN A 50 18.841 2.287 -5.491 1.00 0.00 C ATOM 976 CD GLN A 50 19.386 3.719 -5.432 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.032 4.538 -4.592 1.00 0.00 O ATOM 978 NE2 GLN A 50 20.293 4.076 -6.316 1.00 0.00 N ATOM 0 H GLN A 50 15.291 1.532 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 50 16.455 3.927 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.755 2.292 -3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.310 0.989 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.611 1.605 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.649 2.029 -6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.604 3.412 -7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.686 5.017 -6.292 1.00 0.00 H new ATOM 987 N LYS A 51 15.398 1.618 -7.069 1.00 0.00 N ATOM 988 CA LYS A 51 15.097 1.255 -8.471 1.00 0.00 C ATOM 989 C LYS A 51 13.916 2.047 -9.062 1.00 0.00 C ATOM 990 O LYS A 51 13.192 2.752 -8.356 1.00 0.00 O ATOM 991 CB LYS A 51 14.793 -0.257 -8.559 1.00 0.00 C ATOM 992 CG LYS A 51 15.875 -1.171 -7.958 1.00 0.00 C ATOM 993 CD LYS A 51 15.562 -2.660 -8.180 1.00 0.00 C ATOM 994 CE LYS A 51 14.311 -3.116 -7.413 1.00 0.00 C ATOM 995 NZ LYS A 51 13.959 -4.522 -7.726 1.00 0.00 N ATOM 0 H LYS A 51 15.029 0.934 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 51 15.979 1.509 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.849 -0.453 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.653 -0.524 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.840 -0.933 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.962 -0.975 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.419 -2.844 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.416 -3.259 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.483 -3.014 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.473 -2.466 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.055 -4.763 -7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.870 -4.637 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.705 -5.154 -7.371 1.00 0.00 H new ATOM 1009 N ASP A 52 13.690 1.874 -10.364 1.00 0.00 N ATOM 1010 CA ASP A 52 12.506 2.329 -11.113 1.00 0.00 C ATOM 1011 C ASP A 52 11.467 1.239 -11.471 1.00 0.00 C ATOM 1012 O ASP A 52 10.405 1.540 -12.022 1.00 0.00 O ATOM 1013 CB ASP A 52 12.890 3.221 -12.310 1.00 0.00 C ATOM 1014 CG ASP A 52 14.016 2.692 -13.225 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.463 1.528 -13.084 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.455 3.460 -14.114 1.00 0.00 O ATOM 0 H ASP A 52 14.359 1.388 -10.961 1.00 0.00 H new ATOM 0 HA ASP A 52 11.962 2.949 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.000 3.378 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.190 4.196 -11.927 1.00 0.00 H new ATOM 1021 N THR A 53 11.744 -0.023 -11.125 1.00 0.00 N ATOM 1022 CA THR A 53 10.874 -1.196 -11.354 1.00 0.00 C ATOM 1023 C THR A 53 11.032 -2.124 -10.143 1.00 0.00 C ATOM 1024 O THR A 53 12.108 -2.240 -9.552 1.00 0.00 O ATOM 1025 CB THR A 53 11.298 -2.008 -12.598 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.700 -2.029 -12.784 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.659 -1.454 -13.869 1.00 0.00 C ATOM 0 H THR A 53 12.616 -0.272 -10.658 1.00 0.00 H new ATOM 0 HA THR A 53 9.854 -0.840 -11.501 1.00 0.00 H new ATOM 0 HB THR A 53 10.951 -3.025 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.916 -2.556 -13.582 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.978 -2.048 -14.725 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.574 -1.499 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.968 -0.418 -14.010 1.00 0.00 H new ATOM 1035 N TYR A 54 9.939 -2.812 -9.791 1.00 0.00 N ATOM 1036 CA TYR A 54 9.799 -3.625 -8.577 1.00 0.00 C ATOM 1037 C TYR A 54 8.957 -4.891 -8.762 1.00 0.00 C ATOM 1038 O TYR A 54 8.103 -4.921 -9.648 1.00 0.00 O ATOM 1039 CB TYR A 54 9.220 -2.761 -7.447 1.00 0.00 C ATOM 1040 CG TYR A 54 10.147 -1.662 -6.976 1.00 0.00 C ATOM 1041 CD1 TYR A 54 11.223 -1.970 -6.123 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.961 -0.344 -7.442 1.00 0.00 C ATOM 1043 CE1 TYR A 54 12.132 -0.966 -5.750 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.870 0.662 -7.068 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.956 0.344 -6.234 1.00 0.00 C ATOM 1046 OH TYR A 54 12.859 1.299 -5.929 1.00 0.00 O ATOM 0 H TYR A 54 9.096 -2.818 -10.366 1.00 0.00 H new ATOM 0 HA TYR A 54 10.800 -3.974 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.286 -2.314 -7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.976 -3.403 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.350 -2.978 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.124 -0.108 -8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.960 -1.198 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.734 1.674 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 54 12.933 1.930 -6.676 1.00 0.00 H new ATOM 1056 N THR A 55 9.169 -5.924 -7.943 1.00 0.00 N ATOM 1057 CA THR A 55 8.274 -7.097 -7.844 1.00 0.00 C ATOM 1058 C THR A 55 6.977 -6.859 -7.061 1.00 0.00 C ATOM 1059 O THR A 55 6.881 -5.876 -6.325 1.00 0.00 O ATOM 1060 CB THR A 55 8.971 -8.394 -7.390 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.897 -8.534 -5.989 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.438 -8.527 -7.788 1.00 0.00 C ATOM 0 H THR A 55 9.974 -5.977 -7.319 1.00 0.00 H new ATOM 0 HA THR A 55 7.976 -7.247 -8.882 1.00 0.00 H new ATOM 0 HB THR A 55 8.425 -9.178 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.478 -9.392 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.831 -9.475 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.525 -8.497 -8.874 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.008 -7.705 -7.355 1.00 0.00 H new ATOM 1070 N MET A 56 5.988 -7.760 -7.153 1.00 0.00 N ATOM 1071 CA MET A 56 4.779 -7.694 -6.312 1.00 0.00 C ATOM 1072 C MET A 56 5.104 -7.645 -4.810 1.00 0.00 C ATOM 1073 O MET A 56 4.571 -6.794 -4.093 1.00 0.00 O ATOM 1074 CB MET A 56 3.836 -8.877 -6.600 1.00 0.00 C ATOM 1075 CG MET A 56 2.934 -8.629 -7.810 1.00 0.00 C ATOM 1076 SD MET A 56 1.758 -7.264 -7.569 1.00 0.00 S ATOM 1077 CE MET A 56 1.155 -7.053 -9.261 1.00 0.00 C ATOM 0 H MET A 56 6.000 -8.546 -7.803 1.00 0.00 H new ATOM 0 HA MET A 56 4.279 -6.762 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 56 4.428 -9.776 -6.771 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.217 -9.066 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.556 -8.413 -8.679 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.380 -9.541 -8.033 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.420 -6.248 -9.288 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.990 -6.804 -9.916 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.691 -7.979 -9.600 1.00 0.00 H new ATOM 1087 N LYS A 57 6.015 -8.505 -4.332 1.00 0.00 N ATOM 1088 CA LYS A 57 6.458 -8.536 -2.931 1.00 0.00 C ATOM 1089 C LYS A 57 7.230 -7.275 -2.546 1.00 0.00 C ATOM 1090 O LYS A 57 7.027 -6.758 -1.453 1.00 0.00 O ATOM 1091 CB LYS A 57 7.260 -9.827 -2.681 1.00 0.00 C ATOM 1092 CG LYS A 57 7.657 -10.043 -1.209 1.00 0.00 C ATOM 1093 CD LYS A 57 9.046 -9.486 -0.845 1.00 0.00 C ATOM 1094 CE LYS A 57 9.370 -9.612 0.651 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.363 -11.022 1.119 1.00 0.00 N ATOM 0 H LYS A 57 6.470 -9.207 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 57 5.583 -8.546 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.670 -10.680 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.163 -9.805 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.910 -9.573 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.637 -11.111 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.806 -10.014 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.098 -8.437 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.349 -9.173 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.643 -9.038 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.841 -11.084 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.381 -11.351 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.862 -11.619 0.429 1.00 0.00 H new ATOM 1109 N GLU A 58 8.079 -6.750 -3.431 1.00 0.00 N ATOM 1110 CA GLU A 58 8.813 -5.497 -3.194 1.00 0.00 C ATOM 1111 C GLU A 58 7.887 -4.274 -3.092 1.00 0.00 C ATOM 1112 O GLU A 58 8.043 -3.463 -2.176 1.00 0.00 O ATOM 1113 CB GLU A 58 9.843 -5.271 -4.304 1.00 0.00 C ATOM 1114 CG GLU A 58 11.038 -6.234 -4.227 1.00 0.00 C ATOM 1115 CD GLU A 58 12.031 -6.031 -5.387 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.676 -5.408 -6.417 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.195 -6.480 -5.278 1.00 0.00 O ATOM 0 H GLU A 58 8.280 -7.179 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 58 9.315 -5.604 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.355 -5.385 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.207 -4.245 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.557 -6.090 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.675 -7.262 -4.239 1.00 0.00 H new ATOM 1124 N VAL A 59 6.894 -4.161 -3.984 1.00 0.00 N ATOM 1125 CA VAL A 59 5.875 -3.097 -3.938 1.00 0.00 C ATOM 1126 C VAL A 59 5.066 -3.222 -2.645 1.00 0.00 C ATOM 1127 O VAL A 59 4.935 -2.231 -1.930 1.00 0.00 O ATOM 1128 CB VAL A 59 4.946 -3.152 -5.169 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.748 -2.203 -5.047 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.704 -2.742 -6.437 1.00 0.00 C ATOM 0 H VAL A 59 6.772 -4.808 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 59 6.380 -2.131 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 59 4.594 -4.182 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.128 -2.283 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.158 -2.472 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.105 -1.178 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.031 -2.787 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.079 -1.725 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.541 -3.422 -6.596 1.00 0.00 H new ATOM 1140 N LEU A 60 4.577 -4.425 -2.303 1.00 0.00 N ATOM 1141 CA LEU A 60 3.859 -4.666 -1.044 1.00 0.00 C ATOM 1142 C LEU A 60 4.724 -4.295 0.170 1.00 0.00 C ATOM 1143 O LEU A 60 4.236 -3.605 1.062 1.00 0.00 O ATOM 1144 CB LEU A 60 3.410 -6.139 -0.952 1.00 0.00 C ATOM 1145 CG LEU A 60 2.154 -6.473 -1.778 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.971 -7.990 -1.864 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.888 -5.896 -1.137 1.00 0.00 C ATOM 0 H LEU A 60 4.668 -5.254 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 60 2.975 -4.028 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.229 -6.777 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.219 -6.383 0.093 1.00 0.00 H new ATOM 0 HG LEU A 60 2.297 -6.036 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.080 -8.216 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.843 -8.435 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.859 -8.400 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.022 -6.152 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.763 -6.313 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.976 -4.812 -1.069 1.00 0.00 H new ATOM 1159 N PHE A 61 6.001 -4.687 0.194 1.00 0.00 N ATOM 1160 CA PHE A 61 6.950 -4.285 1.231 1.00 0.00 C ATOM 1161 C PHE A 61 7.072 -2.775 1.460 1.00 0.00 C ATOM 1162 O PHE A 61 6.732 -2.278 2.535 1.00 0.00 O ATOM 1163 CB PHE A 61 8.294 -5.022 1.092 1.00 0.00 C ATOM 1164 CG PHE A 61 9.438 -4.424 1.894 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.647 -4.825 3.227 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.285 -3.457 1.317 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.681 -4.250 3.987 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.321 -2.884 2.076 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.518 -3.277 3.411 1.00 0.00 C ATOM 0 H PHE A 61 6.407 -5.299 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 61 6.511 -4.620 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.157 -6.059 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.576 -5.037 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.010 -5.578 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.138 -3.155 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.832 -4.555 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.967 -2.141 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.311 -2.832 3.994 1.00 0.00 H new ATOM 1179 N TYR A 62 7.476 -2.030 0.429 1.00 0.00 N ATOM 1180 CA TYR A 62 7.593 -0.573 0.501 1.00 0.00 C ATOM 1181 C TYR A 62 6.298 0.190 0.820 1.00 0.00 C ATOM 1182 O TYR A 62 6.298 1.111 1.640 1.00 0.00 O ATOM 1183 CB TYR A 62 8.274 -0.028 -0.756 1.00 0.00 C ATOM 1184 CG TYR A 62 9.766 -0.255 -0.881 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.661 0.292 0.059 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.262 -0.970 -1.987 1.00 0.00 C ATOM 1187 CE1 TYR A 62 12.051 0.141 -0.116 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.647 -1.135 -2.158 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.549 -0.574 -1.228 1.00 0.00 C ATOM 1190 OH TYR A 62 13.890 -0.719 -1.416 1.00 0.00 O ATOM 0 H TYR A 62 7.731 -2.420 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 62 8.221 -0.385 1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.789 -0.474 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.089 1.045 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.281 0.828 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.576 -1.393 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.735 0.572 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.023 -1.693 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 62 14.052 -1.240 -2.230 1.00 0.00 H new ATOM 1200 N LEU A 63 5.182 -0.231 0.215 1.00 0.00 N ATOM 1201 CA LEU A 63 3.851 0.325 0.456 1.00 0.00 C ATOM 1202 C LEU A 63 3.405 0.110 1.911 1.00 0.00 C ATOM 1203 O LEU A 63 2.981 1.056 2.572 1.00 0.00 O ATOM 1204 CB LEU A 63 2.892 -0.300 -0.577 1.00 0.00 C ATOM 1205 CG LEU A 63 1.418 0.132 -0.502 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.244 1.642 -0.651 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.647 -0.537 -1.643 1.00 0.00 C ATOM 0 H LEU A 63 5.182 -0.985 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 63 3.853 1.407 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.265 -0.064 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.935 -1.384 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 63 1.043 -0.165 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.185 1.894 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.784 2.151 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.638 1.960 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.400 -0.237 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.073 -0.230 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.719 -1.620 -1.545 1.00 0.00 H new ATOM 1219 N GLY A 64 3.586 -1.099 2.450 1.00 0.00 N ATOM 1220 CA GLY A 64 3.289 -1.408 3.851 1.00 0.00 C ATOM 1221 C GLY A 64 4.180 -0.659 4.839 1.00 0.00 C ATOM 1222 O GLY A 64 3.679 -0.110 5.818 1.00 0.00 O ATOM 0 H GLY A 64 3.945 -1.895 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.247 -1.164 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.403 -2.480 4.011 1.00 0.00 H new ATOM 1226 N GLN A 65 5.484 -0.561 4.569 1.00 0.00 N ATOM 1227 CA GLN A 65 6.412 0.233 5.386 1.00 0.00 C ATOM 1228 C GLN A 65 6.040 1.729 5.396 1.00 0.00 C ATOM 1229 O GLN A 65 6.140 2.373 6.443 1.00 0.00 O ATOM 1230 CB GLN A 65 7.857 0.011 4.904 1.00 0.00 C ATOM 1231 CG GLN A 65 8.380 -1.412 5.183 1.00 0.00 C ATOM 1232 CD GLN A 65 8.640 -1.709 6.659 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.187 -0.909 7.406 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.294 -2.887 7.133 1.00 0.00 N ATOM 0 H GLN A 65 5.928 -1.029 3.779 1.00 0.00 H new ATOM 0 HA GLN A 65 6.333 -0.109 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.910 0.207 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.511 0.733 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.657 -2.133 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.305 -1.562 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.837 -3.567 6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.483 -3.120 8.108 1.00 0.00 H new ATOM 1243 N TYR A 66 5.531 2.266 4.279 1.00 0.00 N ATOM 1244 CA TYR A 66 4.943 3.607 4.227 1.00 0.00 C ATOM 1245 C TYR A 66 3.700 3.787 5.102 1.00 0.00 C ATOM 1246 O TYR A 66 3.667 4.660 5.968 1.00 0.00 O ATOM 1247 CB TYR A 66 4.745 4.072 2.777 1.00 0.00 C ATOM 1248 CG TYR A 66 3.930 5.344 2.601 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.522 5.305 2.552 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.596 6.577 2.456 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.784 6.491 2.359 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.865 7.760 2.242 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.455 7.722 2.193 1.00 0.00 C ATOM 1254 OH TYR A 66 1.754 8.873 2.001 1.00 0.00 O ATOM 0 H TYR A 66 5.517 1.778 3.383 1.00 0.00 H new ATOM 0 HA TYR A 66 5.673 4.276 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.726 4.225 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.259 3.271 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.006 4.363 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.674 6.614 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.705 6.458 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.384 8.699 2.115 1.00 0.00 H new ATOM 0 HH TYR A 66 2.377 9.624 1.907 1.00 0.00 H new ATOM 1264 N ILE A 67 2.702 2.910 4.934 1.00 0.00 N ATOM 1265 CA ILE A 67 1.446 2.938 5.702 1.00 0.00 C ATOM 1266 C ILE A 67 1.714 2.788 7.210 1.00 0.00 C ATOM 1267 O ILE A 67 1.110 3.499 8.020 1.00 0.00 O ATOM 1268 CB ILE A 67 0.485 1.837 5.190 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.106 2.024 3.703 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.811 1.801 6.021 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.387 0.732 3.038 1.00 0.00 C ATOM 0 H ILE A 67 2.742 2.151 4.253 1.00 0.00 H new ATOM 0 HA ILE A 67 0.970 3.907 5.552 1.00 0.00 H new ATOM 0 HB ILE A 67 1.027 0.897 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.671 2.784 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.973 2.398 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.467 1.019 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.569 1.595 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.316 2.764 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.637 0.931 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.397 -0.024 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.272 0.369 3.560 1.00 0.00 H new ATOM 1283 N MET A 68 2.664 1.919 7.578 1.00 0.00 N ATOM 1284 CA MET A 68 3.124 1.720 8.952 1.00 0.00 C ATOM 1285 C MET A 68 3.758 2.995 9.527 1.00 0.00 C ATOM 1286 O MET A 68 3.302 3.485 10.558 1.00 0.00 O ATOM 1287 CB MET A 68 4.109 0.539 9.013 1.00 0.00 C ATOM 1288 CG MET A 68 4.548 0.213 10.451 1.00 0.00 C ATOM 1289 SD MET A 68 6.316 -0.149 10.639 1.00 0.00 S ATOM 1290 CE MET A 68 6.411 -1.723 9.749 1.00 0.00 C ATOM 0 H MET A 68 3.145 1.320 6.907 1.00 0.00 H new ATOM 0 HA MET A 68 2.257 1.486 9.569 1.00 0.00 H new ATOM 0 HB2 MET A 68 3.644 -0.342 8.570 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.988 0.772 8.412 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.293 1.055 11.094 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.976 -0.644 10.806 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.455 -2.019 9.644 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.871 -2.489 10.306 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.965 -1.610 8.761 1.00 0.00 H new ATOM 1300 N THR A 69 4.780 3.558 8.868 1.00 0.00 N ATOM 1301 CA THR A 69 5.493 4.750 9.366 1.00 0.00 C ATOM 1302 C THR A 69 4.682 6.050 9.381 1.00 0.00 C ATOM 1303 O THR A 69 4.744 6.822 10.342 1.00 0.00 O ATOM 1304 CB THR A 69 6.888 4.893 8.734 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.723 5.610 9.618 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.902 5.629 7.393 1.00 0.00 C ATOM 0 H THR A 69 5.137 3.205 7.980 1.00 0.00 H new ATOM 0 HA THR A 69 5.645 4.558 10.428 1.00 0.00 H new ATOM 0 HB THR A 69 7.236 3.876 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.615 5.704 9.222 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.924 5.685 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.282 5.091 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.509 6.637 7.527 1.00 0.00 H new ATOM 1314 N LYS A 70 3.821 6.250 8.373 1.00 0.00 N ATOM 1315 CA LYS A 70 2.822 7.332 8.326 1.00 0.00 C ATOM 1316 C LYS A 70 1.636 7.119 9.281 1.00 0.00 C ATOM 1317 O LYS A 70 0.849 8.048 9.476 1.00 0.00 O ATOM 1318 CB LYS A 70 2.346 7.534 6.875 1.00 0.00 C ATOM 1319 CG LYS A 70 3.440 7.990 5.891 1.00 0.00 C ATOM 1320 CD LYS A 70 4.087 9.351 6.192 1.00 0.00 C ATOM 1321 CE LYS A 70 3.061 10.493 6.179 1.00 0.00 C ATOM 1322 NZ LYS A 70 3.708 11.814 6.391 1.00 0.00 N ATOM 0 H LYS A 70 3.798 5.651 7.548 1.00 0.00 H new ATOM 0 HA LYS A 70 3.314 8.238 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.920 6.598 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.543 8.272 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.224 7.233 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.009 8.027 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.574 9.313 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.864 9.554 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.531 10.496 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.317 10.323 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.985 12.561 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.193 11.820 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.400 11.987 5.634 1.00 0.00 H new ATOM 1336 N ARG A 71 1.520 5.932 9.899 1.00 0.00 N ATOM 1337 CA ARG A 71 0.548 5.582 10.956 1.00 0.00 C ATOM 1338 C ARG A 71 -0.910 5.817 10.534 1.00 0.00 C ATOM 1339 O ARG A 71 -1.720 6.365 11.282 1.00 0.00 O ATOM 1340 CB ARG A 71 0.959 6.242 12.291 1.00 0.00 C ATOM 1341 CG ARG A 71 2.291 5.686 12.828 1.00 0.00 C ATOM 1342 CD ARG A 71 2.882 6.584 13.920 1.00 0.00 C ATOM 1343 NE ARG A 71 4.040 5.953 14.587 1.00 0.00 N ATOM 1344 CZ ARG A 71 5.294 5.898 14.168 1.00 0.00 C ATOM 1345 NH1 ARG A 71 5.686 6.352 13.011 1.00 0.00 N ATOM 1346 NH2 ARG A 71 6.208 5.365 14.928 1.00 0.00 N ATOM 0 H ARG A 71 2.131 5.149 9.666 1.00 0.00 H new ATOM 0 HA ARG A 71 0.582 4.505 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.047 7.319 12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.175 6.081 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.132 4.684 13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.003 5.593 12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.189 7.534 13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.114 6.808 14.661 1.00 0.00 H new ATOM 0 HE ARG A 71 3.849 5.504 15.482 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.012 6.777 12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.667 6.282 12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.956 4.992 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.175 5.321 14.608 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.226 5.426 9.294 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.519 5.677 8.634 1.00 0.00 C ATOM 1362 C LEU A 72 -3.651 4.735 9.095 1.00 0.00 C ATOM 1363 O LEU A 72 -4.808 4.925 8.723 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.335 5.610 7.105 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.255 6.543 6.528 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.103 6.320 5.024 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.588 8.014 6.761 1.00 0.00 C ATOM 0 H LEU A 72 -0.573 4.912 8.703 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.838 6.676 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.089 4.584 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.287 5.848 6.631 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.326 6.303 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.335 6.988 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.814 5.286 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.051 6.527 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.800 8.637 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.537 8.253 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.666 8.204 7.831 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.338 3.714 9.893 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.330 2.846 10.534 1.00 0.00 C ATOM 1381 C TYR A 73 -5.163 3.498 11.653 1.00 0.00 C ATOM 1382 O TYR A 73 -4.684 4.414 12.327 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.721 1.500 10.958 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.418 1.623 11.730 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -1.182 1.690 11.055 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -2.456 1.695 13.137 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.013 1.832 11.787 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -1.261 1.827 13.870 1.00 0.00 C ATOM 1389 CZ TYR A 73 -0.024 1.898 13.198 1.00 0.00 C ATOM 1390 OH TYR A 73 1.128 2.028 13.912 1.00 0.00 O ATOM 0 H TYR A 73 -2.375 3.462 10.116 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.065 2.653 9.753 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.445 0.963 11.571 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.547 0.896 10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.151 1.632 9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.403 1.649 13.654 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.959 1.891 11.269 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.292 1.874 14.949 1.00 0.00 H new ATOM 0 HH TYR A 73 0.918 2.059 14.869 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.391 3.027 11.893 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.169 3.429 13.076 1.00 0.00 C ATOM 1402 C ASP A 74 -6.495 3.033 14.407 1.00 0.00 C ATOM 1403 O ASP A 74 -6.044 1.896 14.556 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.641 2.992 12.948 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.496 3.103 14.220 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.245 3.980 15.076 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.449 2.305 14.360 1.00 0.00 O ATOM 0 H ASP A 74 -6.871 2.365 11.284 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.182 4.518 13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.109 3.591 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.662 1.956 12.610 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.423 3.942 15.385 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.866 3.673 16.721 1.00 0.00 C ATOM 1414 C GLU A 75 -6.593 2.516 17.440 1.00 0.00 C ATOM 1415 O GLU A 75 -5.974 1.795 18.229 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.922 4.961 17.573 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.347 5.330 18.029 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.500 6.692 18.727 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.505 7.428 18.937 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.660 7.016 19.086 1.00 0.00 O ATOM 0 H GLU A 75 -6.754 4.900 15.272 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.830 3.361 16.593 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.288 4.835 18.451 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.507 5.788 16.996 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.001 5.315 17.157 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.702 4.554 18.707 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.893 2.332 17.165 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.742 1.274 17.734 1.00 0.00 C ATOM 1429 C LYS A 76 -8.665 0.009 16.878 1.00 0.00 C ATOM 1430 O LYS A 76 -8.189 -1.031 17.337 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.195 1.770 17.908 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.269 3.114 18.651 1.00 0.00 C ATOM 1433 CD LYS A 76 -11.710 3.507 19.005 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.794 4.794 19.843 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.304 6.003 19.124 1.00 0.00 N ATOM 0 H LYS A 76 -8.400 2.936 16.518 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.370 1.020 18.727 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.661 1.873 16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.768 1.022 18.456 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.677 3.055 19.564 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.824 3.893 18.032 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.280 3.641 18.086 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.179 2.691 19.555 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.829 4.955 20.145 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.212 4.663 20.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.814 6.842 19.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.285 6.121 19.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.470 5.891 18.103 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.088 0.108 15.618 1.00 0.00 N ATOM 1450 CA GLN A 77 -9.014 -0.966 14.618 1.00 0.00 C ATOM 1451 C GLN A 77 -7.657 -0.933 13.897 1.00 0.00 C ATOM 1452 O GLN A 77 -7.552 -0.467 12.761 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.197 -0.878 13.635 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.565 -1.036 14.324 1.00 0.00 C ATOM 1455 CD GLN A 77 -12.713 -0.380 13.556 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -13.622 -1.035 13.060 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.665 0.915 13.332 1.00 0.00 N ATOM 0 H GLN A 77 -9.505 0.963 15.250 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.091 -1.928 15.125 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.164 0.083 13.121 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.088 -1.651 12.874 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.780 -2.097 14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.512 -0.603 15.323 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.915 1.475 13.737 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.378 1.359 12.753 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.613 -1.470 14.540 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.221 -1.484 14.048 1.00 0.00 C ATOM 1468 C GLN A 78 -4.985 -2.491 12.898 1.00 0.00 C ATOM 1469 O GLN A 78 -3.926 -3.102 12.775 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.239 -1.650 15.226 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.324 -0.471 16.212 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.363 -0.575 17.395 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.322 -1.219 17.360 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.665 0.089 18.490 1.00 0.00 N ATOM 0 H GLN A 78 -6.713 -1.923 15.448 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.022 -0.515 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.456 -2.580 15.752 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.222 -1.731 14.843 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.121 0.454 15.673 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.344 -0.402 16.591 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.528 0.631 18.536 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.036 0.062 19.293 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.002 -2.666 12.055 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.032 -3.467 10.834 1.00 0.00 C ATOM 1485 C HIS A 79 -6.881 -2.804 9.723 1.00 0.00 C ATOM 1486 O HIS A 79 -7.089 -3.411 8.673 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.529 -4.879 11.179 1.00 0.00 C ATOM 1488 CG HIS A 79 -7.987 -4.950 11.560 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.516 -4.807 12.824 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.035 -5.178 10.709 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -9.851 -4.944 12.737 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.215 -5.191 11.466 1.00 0.00 N ATOM 0 H HIS A 79 -6.900 -2.213 12.224 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.023 -3.535 10.428 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.358 -5.531 10.322 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.931 -5.271 12.002 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.965 -5.323 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.534 -4.867 13.570 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.161 -5.355 11.122 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.379 -1.573 9.930 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.126 -0.781 8.938 1.00 0.00 C ATOM 1502 C ILE A 80 -7.395 0.543 8.687 1.00 0.00 C ATOM 1503 O ILE A 80 -7.066 1.264 9.630 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.592 -0.556 9.381 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.262 -1.886 9.794 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.391 0.141 8.262 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.730 -1.753 10.204 1.00 0.00 C ATOM 0 H ILE A 80 -7.269 -1.087 10.820 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.169 -1.336 8.001 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.586 0.094 10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.192 -2.588 8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.703 -2.318 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.420 0.292 8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.936 1.106 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.383 -0.481 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.121 -2.733 10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.810 -1.079 11.057 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.306 -1.353 9.370 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.132 0.851 7.415 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.391 2.030 6.941 1.00 0.00 C ATOM 1521 C VAL A 81 -7.306 3.182 6.521 1.00 0.00 C ATOM 1522 O VAL A 81 -8.317 2.949 5.860 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.386 1.678 5.822 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.321 2.768 5.668 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.655 0.349 6.066 1.00 0.00 C ATOM 0 H VAL A 81 -7.444 0.257 6.647 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.818 2.381 7.800 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.988 1.592 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.629 2.491 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.802 3.714 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.773 2.876 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.963 0.158 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.100 0.406 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.382 -0.461 6.124 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.934 4.416 6.869 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.669 5.652 6.588 1.00 0.00 C ATOM 1537 C TYR A 82 -6.806 6.741 5.931 1.00 0.00 C ATOM 1538 O TYR A 82 -5.761 7.114 6.468 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.348 6.170 7.867 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.472 5.297 8.396 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.171 4.185 9.208 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.815 5.603 8.097 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.205 3.371 9.704 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.853 4.789 8.595 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.550 3.668 9.399 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.545 2.879 9.892 1.00 0.00 O ATOM 0 H TYR A 82 -6.068 4.589 7.380 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.435 5.403 5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.592 6.274 8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.744 7.167 7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.143 3.957 9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.049 6.462 7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.969 2.516 10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.881 5.023 8.361 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.413 3.220 9.590 1.00 0.00 H new ATOM 1556 N CYS A 83 -7.234 7.266 4.780 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.531 8.318 4.043 1.00 0.00 C ATOM 1558 C CYS A 83 -7.498 9.043 3.087 1.00 0.00 C ATOM 1559 O CYS A 83 -7.817 8.542 2.006 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.356 7.676 3.288 1.00 0.00 C ATOM 1561 SG CYS A 83 -4.357 8.966 2.491 1.00 0.00 S ATOM 0 H CYS A 83 -8.096 6.965 4.326 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.143 9.070 4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.739 7.101 3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.731 6.979 2.539 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.119 8.574 2.420 1.00 0.00 H new ATOM 1567 N SER A 84 -7.959 10.234 3.478 1.00 0.00 N ATOM 1568 CA SER A 84 -8.739 11.154 2.634 1.00 0.00 C ATOM 1569 C SER A 84 -7.892 12.347 2.161 1.00 0.00 C ATOM 1570 O SER A 84 -7.048 12.860 2.899 1.00 0.00 O ATOM 1571 CB SER A 84 -10.010 11.610 3.364 1.00 0.00 C ATOM 1572 OG SER A 84 -9.708 12.260 4.589 1.00 0.00 O ATOM 0 H SER A 84 -7.797 10.599 4.417 1.00 0.00 H new ATOM 0 HA SER A 84 -9.044 10.613 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.575 12.287 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.648 10.747 3.557 1.00 0.00 H new ATOM 0 HG SER A 84 -10.540 12.538 5.026 1.00 0.00 H new ATOM 1578 N ASN A 85 -8.109 12.780 0.910 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.415 13.890 0.227 1.00 0.00 C ATOM 1580 C ASN A 85 -5.869 13.778 0.119 1.00 0.00 C ATOM 1581 O ASN A 85 -5.209 14.735 -0.291 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.891 15.240 0.809 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.389 15.474 0.678 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -10.041 15.061 -0.273 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.984 16.188 1.608 1.00 0.00 N ATOM 0 H ASN A 85 -8.811 12.344 0.312 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.710 13.822 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.617 15.287 1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.361 16.049 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.980 16.394 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.449 16.536 2.404 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.289 12.623 0.464 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.851 12.306 0.440 1.00 0.00 C ATOM 1594 C ASP A 86 -3.438 11.119 -0.456 1.00 0.00 C ATOM 1595 O ASP A 86 -4.287 10.384 -0.968 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.271 12.277 1.870 1.00 0.00 C ATOM 1597 CG ASP A 86 -2.949 13.664 2.462 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -2.444 14.552 1.734 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -3.127 13.850 3.691 1.00 0.00 O ATOM 0 H ASP A 86 -5.845 11.832 0.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.370 13.133 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.981 11.773 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.360 11.678 1.866 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.127 10.934 -0.656 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.536 10.024 -1.647 1.00 0.00 C ATOM 1606 C LEU A 87 -2.045 8.570 -1.594 1.00 0.00 C ATOM 1607 O LEU A 87 -2.307 7.985 -2.644 1.00 0.00 O ATOM 1608 CB LEU A 87 -0.002 10.115 -1.514 1.00 0.00 C ATOM 1609 CG LEU A 87 0.811 9.259 -2.507 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.501 9.598 -3.964 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.305 9.508 -2.284 1.00 0.00 C ATOM 0 H LEU A 87 -1.422 11.432 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.861 10.353 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.293 11.157 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.274 9.822 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 87 0.539 8.219 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.100 8.967 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.557 9.425 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.738 10.645 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.883 8.905 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.526 10.563 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.571 9.234 -1.263 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.229 7.980 -0.405 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.716 6.597 -0.294 1.00 0.00 C ATOM 1625 C LEU A 88 -4.187 6.449 -0.736 1.00 0.00 C ATOM 1626 O LEU A 88 -4.542 5.478 -1.406 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.498 6.069 1.135 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.532 4.531 1.176 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.157 3.950 0.852 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.993 4.000 2.526 1.00 0.00 C ATOM 0 H LEU A 88 -2.049 8.436 0.490 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.132 5.987 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.539 6.424 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.268 6.469 1.794 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.253 4.216 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.205 2.862 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.853 4.268 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.431 4.305 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.000 2.910 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.311 4.343 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.998 4.366 2.737 1.00 0.00 H new ATOM 1642 N GLY A 89 -5.033 7.432 -0.417 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.418 7.497 -0.892 1.00 0.00 C ATOM 1644 C GLY A 89 -6.509 7.755 -2.398 1.00 0.00 C ATOM 1645 O GLY A 89 -7.327 7.142 -3.087 1.00 0.00 O ATOM 0 H GLY A 89 -4.773 8.214 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.924 6.561 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.945 8.288 -0.358 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.617 8.596 -2.933 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.469 8.828 -4.374 1.00 0.00 C ATOM 1651 C ASP A 90 -5.014 7.600 -5.181 1.00 0.00 C ATOM 1652 O ASP A 90 -5.430 7.413 -6.327 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.570 10.048 -4.643 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.217 11.417 -4.349 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.451 11.513 -4.143 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.476 12.430 -4.371 1.00 0.00 O ATOM 0 H ASP A 90 -4.967 9.143 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.474 9.039 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.667 9.954 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.260 10.027 -5.688 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.201 6.737 -4.563 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.811 5.430 -5.088 1.00 0.00 C ATOM 1663 C LEU A 91 -4.974 4.423 -5.055 1.00 0.00 C ATOM 1664 O LEU A 91 -5.394 3.942 -6.109 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.610 4.900 -4.281 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.254 5.497 -4.685 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.213 5.090 -3.655 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.805 4.999 -6.058 1.00 0.00 C ATOM 0 H LEU A 91 -3.784 6.938 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.530 5.550 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.781 5.104 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.563 3.817 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.360 6.581 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.755 5.508 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.505 5.467 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.142 4.003 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.158 5.443 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.710 3.913 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.543 5.285 -6.808 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.496 4.094 -3.866 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.554 3.085 -3.702 1.00 0.00 C ATOM 1682 C PHE A 92 -7.953 3.423 -4.247 1.00 0.00 C ATOM 1683 O PHE A 92 -8.766 2.525 -4.477 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.568 2.498 -2.279 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.461 1.496 -1.995 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.564 0.167 -2.452 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.325 1.887 -1.266 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.528 -0.754 -2.205 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.302 0.962 -0.987 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.402 -0.357 -1.464 1.00 0.00 C ATOM 0 H PHE A 92 -5.197 4.520 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.255 2.296 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.492 3.316 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.530 2.014 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.443 -0.147 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.236 2.905 -0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.599 -1.763 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.442 1.264 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.613 -1.066 -1.261 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.238 4.710 -4.475 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.526 5.197 -4.986 1.00 0.00 C ATOM 1702 C GLY A 93 -10.657 5.211 -3.946 1.00 0.00 C ATOM 1703 O GLY A 93 -11.830 5.287 -4.318 1.00 0.00 O ATOM 0 H GLY A 93 -7.566 5.459 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.391 6.207 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.829 4.573 -5.826 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.320 5.126 -2.653 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.258 5.066 -1.514 1.00 0.00 C ATOM 1709 C VAL A 94 -10.678 5.856 -0.326 1.00 0.00 C ATOM 1710 O VAL A 94 -9.454 5.927 -0.177 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.515 3.612 -1.051 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.478 2.889 -1.994 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.251 2.756 -0.891 1.00 0.00 C ATOM 0 H VAL A 94 -9.345 5.096 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.202 5.497 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.955 3.723 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.637 1.870 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.431 3.418 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.053 2.863 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.529 1.754 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.730 2.694 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.595 3.211 -0.149 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.531 6.419 0.553 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.101 7.118 1.770 1.00 0.00 C ATOM 1725 C PRO A 95 -10.552 6.169 2.854 1.00 0.00 C ATOM 1726 O PRO A 95 -9.820 6.604 3.744 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.356 7.847 2.263 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.496 6.943 1.795 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.986 6.432 0.451 1.00 0.00 C ATOM 0 HA PRO A 95 -10.273 7.793 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.354 7.963 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.434 8.847 1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.680 6.128 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.432 7.492 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.372 5.434 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.315 7.079 -0.363 1.00 0.00 H new ATOM 1737 N SER A 96 -10.906 4.881 2.801 1.00 0.00 N ATOM 1738 CA SER A 96 -10.483 3.846 3.753 1.00 0.00 C ATOM 1739 C SER A 96 -10.656 2.431 3.185 1.00 0.00 C ATOM 1740 O SER A 96 -11.453 2.215 2.266 1.00 0.00 O ATOM 1741 CB SER A 96 -11.268 3.978 5.068 1.00 0.00 C ATOM 1742 OG SER A 96 -12.664 3.814 4.862 1.00 0.00 O ATOM 0 H SER A 96 -11.516 4.517 2.069 1.00 0.00 H new ATOM 0 HA SER A 96 -9.421 3.999 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.915 3.232 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.077 4.956 5.510 1.00 0.00 H new ATOM 0 HG SER A 96 -13.134 3.902 5.718 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.921 1.457 3.732 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.064 0.031 3.401 1.00 0.00 C ATOM 1750 C PHE A 97 -9.539 -0.829 4.569 1.00 0.00 C ATOM 1751 O PHE A 97 -8.693 -0.394 5.355 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.289 -0.288 2.106 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.777 -0.222 2.216 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.067 -1.359 2.643 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.075 0.958 1.900 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.673 -1.310 2.780 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.672 1.000 2.021 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.972 -0.137 2.468 1.00 0.00 C ATOM 0 H PHE A 97 -9.198 1.638 4.428 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.117 -0.199 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.568 -1.288 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.610 0.407 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.598 -2.273 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.613 1.832 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.136 -2.180 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.134 1.903 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.897 -0.105 2.570 1.00 0.00 H new ATOM 1768 N SER A 98 -10.026 -2.069 4.679 1.00 0.00 N ATOM 1769 CA SER A 98 -9.588 -3.034 5.700 1.00 0.00 C ATOM 1770 C SER A 98 -8.534 -4.017 5.179 1.00 0.00 C ATOM 1771 O SER A 98 -8.708 -4.630 4.124 1.00 0.00 O ATOM 1772 CB SER A 98 -10.789 -3.792 6.264 1.00 0.00 C ATOM 1773 OG SER A 98 -10.346 -4.698 7.256 1.00 0.00 O ATOM 0 H SER A 98 -10.744 -2.438 4.056 1.00 0.00 H new ATOM 0 HA SER A 98 -9.115 -2.458 6.495 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.508 -3.092 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.301 -4.330 5.466 1.00 0.00 H new ATOM 0 HG SER A 98 -11.114 -5.185 7.621 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.468 -4.222 5.959 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.447 -5.269 5.752 1.00 0.00 C ATOM 1781 C VAL A 99 -6.888 -6.681 6.176 1.00 0.00 C ATOM 1782 O VAL A 99 -6.175 -7.659 5.957 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.048 -4.856 6.281 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.898 -5.508 5.499 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.762 -3.346 6.215 1.00 0.00 C ATOM 0 H VAL A 99 -7.280 -3.648 6.781 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.338 -5.351 4.671 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.086 -5.193 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.945 -5.182 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.975 -6.593 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.957 -5.213 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.763 -3.147 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.821 -3.009 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.498 -2.810 6.814 1.00 0.00 H new ATOM 1795 N LYS A 100 -8.107 -6.816 6.726 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.764 -8.108 7.000 1.00 0.00 C ATOM 1797 C LYS A 100 -9.089 -8.885 5.713 1.00 0.00 C ATOM 1798 O LYS A 100 -9.068 -10.114 5.714 1.00 0.00 O ATOM 1799 CB LYS A 100 -10.050 -7.830 7.802 1.00 0.00 C ATOM 1800 CG LYS A 100 -10.764 -9.061 8.386 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.957 -9.834 9.446 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.450 -8.987 10.626 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.548 -8.333 11.388 1.00 0.00 N ATOM 0 H LYS A 100 -8.676 -6.014 6.998 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.080 -8.736 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.804 -7.155 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.750 -7.302 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.706 -8.740 8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.011 -9.741 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.579 -10.639 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.100 -10.300 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.875 -9.621 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.770 -8.222 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.433 -7.300 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.464 -8.597 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.515 -8.644 12.380 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.384 -8.176 4.620 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.816 -8.750 3.336 1.00 0.00 C ATOM 1819 C GLU A 101 -8.752 -8.573 2.241 1.00 0.00 C ATOM 1820 O GLU A 101 -8.835 -7.682 1.393 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.184 -8.182 2.916 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.298 -8.507 3.926 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.725 -8.305 3.372 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.902 -7.927 2.187 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.697 -8.546 4.128 1.00 0.00 O ATOM 0 H GLU A 101 -9.328 -7.158 4.600 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.936 -9.825 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.105 -7.101 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.456 -8.584 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.189 -9.541 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.169 -7.880 4.808 1.00 0.00 H new ATOM 1832 N HIS A 102 -7.750 -9.459 2.237 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.639 -9.448 1.274 1.00 0.00 C ATOM 1834 C HIS A 102 -7.113 -9.433 -0.192 1.00 0.00 C ATOM 1835 O HIS A 102 -6.543 -8.723 -1.022 1.00 0.00 O ATOM 1836 CB HIS A 102 -5.757 -10.682 1.524 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.296 -10.849 2.953 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.626 -9.915 3.712 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.364 -11.995 3.698 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.332 -10.472 4.896 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.756 -11.748 4.937 1.00 0.00 N ATOM 0 H HIS A 102 -7.686 -10.219 2.915 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.076 -8.527 1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.311 -11.573 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -4.881 -10.622 0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.809 -12.928 3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.825 -9.966 5.704 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.656 -12.403 5.712 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.206 -10.150 -0.493 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.831 -10.247 -1.825 1.00 0.00 C ATOM 1851 C ARG A 103 -9.224 -8.883 -2.411 1.00 0.00 C ATOM 1852 O ARG A 103 -9.011 -8.647 -3.602 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.033 -11.205 -1.709 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.695 -11.527 -3.060 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.800 -12.587 -2.924 1.00 0.00 C ATOM 1856 NE ARG A 103 -11.256 -13.899 -2.510 1.00 0.00 N ATOM 1857 CZ ARG A 103 -11.716 -14.727 -1.592 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -12.809 -14.492 -0.923 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -11.076 -15.828 -1.318 1.00 0.00 N ATOM 0 H ARG A 103 -8.699 -10.700 0.210 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.104 -10.642 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.703 -12.134 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.776 -10.763 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.118 -10.615 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.938 -11.881 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.537 -12.252 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.320 -12.693 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.414 -14.203 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.343 -13.642 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.131 -15.159 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.214 -16.054 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.437 -16.464 -0.607 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.737 -7.968 -1.576 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.052 -6.580 -1.968 1.00 0.00 C ATOM 1875 C LYS A 104 -8.785 -5.781 -2.273 1.00 0.00 C ATOM 1876 O LYS A 104 -8.723 -5.083 -3.283 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.857 -5.865 -0.865 1.00 0.00 C ATOM 1878 CG LYS A 104 -12.207 -6.502 -0.500 1.00 0.00 C ATOM 1879 CD LYS A 104 -13.171 -6.616 -1.693 1.00 0.00 C ATOM 1880 CE LYS A 104 -14.633 -6.801 -1.258 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.841 -8.008 -0.417 1.00 0.00 N ATOM 0 H LYS A 104 -9.948 -8.169 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.655 -6.634 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.243 -5.820 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.036 -4.837 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.032 -7.496 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.679 -5.910 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.090 -5.719 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.872 -7.458 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.956 -5.919 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.264 -6.869 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.860 -8.185 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.393 -8.829 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.416 -7.856 0.520 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.761 -5.904 -1.427 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.496 -5.181 -1.610 1.00 0.00 C ATOM 1897 C ILE A 105 -5.782 -5.634 -2.882 1.00 0.00 C ATOM 1898 O ILE A 105 -5.390 -4.778 -3.669 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.593 -5.271 -0.360 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.284 -4.530 0.805 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.212 -4.644 -0.642 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.604 -4.731 2.160 1.00 0.00 C ATOM 0 H ILE A 105 -7.782 -6.502 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.734 -4.125 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.441 -6.318 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.312 -3.464 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.318 -4.868 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.590 -4.717 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.732 -5.176 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.337 -3.595 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.149 -4.179 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.600 -5.792 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.578 -4.366 2.110 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.661 -6.941 -3.144 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.965 -7.431 -4.339 1.00 0.00 C ATOM 1916 C TYR A 106 -5.566 -6.890 -5.645 1.00 0.00 C ATOM 1917 O TYR A 106 -4.829 -6.432 -6.517 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.984 -8.966 -4.409 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.331 -9.745 -3.284 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.038 -9.424 -2.826 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.006 -10.863 -2.754 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.425 -10.216 -1.833 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.397 -11.654 -1.764 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.104 -11.340 -1.307 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.527 -12.141 -0.374 1.00 0.00 O ATOM 0 H TYR A 106 -6.036 -7.677 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.942 -7.067 -4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.025 -9.283 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.503 -9.262 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.516 -8.572 -3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.995 -11.113 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.438 -9.965 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.922 -12.504 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.573 -11.928 -0.305 1.00 0.00 H new ATOM 1935 N THR A 107 -6.898 -6.888 -5.781 1.00 0.00 N ATOM 1936 CA THR A 107 -7.566 -6.344 -6.976 1.00 0.00 C ATOM 1937 C THR A 107 -7.417 -4.831 -7.172 1.00 0.00 C ATOM 1938 O THR A 107 -7.142 -4.365 -8.280 1.00 0.00 O ATOM 1939 CB THR A 107 -9.003 -6.869 -7.133 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.356 -6.874 -8.500 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.053 -6.034 -6.404 1.00 0.00 C ATOM 0 H THR A 107 -7.538 -7.257 -5.078 1.00 0.00 H new ATOM 0 HA THR A 107 -7.008 -6.746 -7.822 1.00 0.00 H new ATOM 0 HB THR A 107 -8.999 -7.867 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.271 -7.210 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.039 -6.469 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.831 -6.021 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.040 -5.015 -6.790 1.00 0.00 H new ATOM 1949 N MET A 108 -7.497 -4.052 -6.082 1.00 0.00 N ATOM 1950 CA MET A 108 -7.235 -2.607 -6.115 1.00 0.00 C ATOM 1951 C MET A 108 -5.759 -2.283 -6.394 1.00 0.00 C ATOM 1952 O MET A 108 -5.457 -1.367 -7.158 1.00 0.00 O ATOM 1953 CB MET A 108 -7.662 -1.946 -4.797 1.00 0.00 C ATOM 1954 CG MET A 108 -9.178 -1.975 -4.572 1.00 0.00 C ATOM 1955 SD MET A 108 -9.763 -0.952 -3.185 1.00 0.00 S ATOM 1956 CE MET A 108 -9.024 -1.806 -1.765 1.00 0.00 C ATOM 0 H MET A 108 -7.744 -4.405 -5.158 1.00 0.00 H new ATOM 0 HA MET A 108 -7.827 -2.205 -6.937 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.168 -2.452 -3.967 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.319 -0.911 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.673 -1.643 -5.484 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.486 -3.006 -4.400 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.299 -1.288 -0.846 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.390 -2.832 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.939 -1.811 -1.868 1.00 0.00 H new ATOM 1966 N MET A 109 -4.832 -3.041 -5.806 1.00 0.00 N ATOM 1967 CA MET A 109 -3.391 -2.807 -5.929 1.00 0.00 C ATOM 1968 C MET A 109 -2.848 -3.277 -7.291 1.00 0.00 C ATOM 1969 O MET A 109 -1.944 -2.645 -7.835 1.00 0.00 O ATOM 1970 CB MET A 109 -2.678 -3.399 -4.697 1.00 0.00 C ATOM 1971 CG MET A 109 -2.169 -4.841 -4.789 1.00 0.00 C ATOM 1972 SD MET A 109 -0.503 -5.040 -5.483 1.00 0.00 S ATOM 1973 CE MET A 109 0.465 -4.063 -4.296 1.00 0.00 C ATOM 0 H MET A 109 -5.063 -3.845 -5.223 1.00 0.00 H new ATOM 0 HA MET A 109 -3.179 -1.738 -5.927 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.828 -2.758 -4.462 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.364 -3.340 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.182 -5.277 -3.790 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.868 -5.416 -5.396 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.496 -4.417 -4.288 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.445 -3.013 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.036 -4.172 -3.300 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.466 -4.287 -7.920 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.156 -4.689 -9.297 1.00 0.00 C ATOM 1985 C ALA A 110 -3.507 -3.598 -10.333 1.00 0.00 C ATOM 1986 O ALA A 110 -2.826 -3.467 -11.352 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.896 -5.997 -9.598 1.00 0.00 C ATOM 0 H ALA A 110 -4.197 -4.849 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.079 -4.837 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.678 -6.312 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.568 -6.769 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.969 -5.841 -9.488 1.00 0.00 H new ATOM 1993 N SER A 111 -4.514 -2.756 -10.057 1.00 0.00 N ATOM 1994 CA SER A 111 -4.860 -1.593 -10.896 1.00 0.00 C ATOM 1995 C SER A 111 -3.715 -0.564 -10.971 1.00 0.00 C ATOM 1996 O SER A 111 -3.578 0.160 -11.959 1.00 0.00 O ATOM 1997 CB SER A 111 -6.134 -0.933 -10.351 1.00 0.00 C ATOM 1998 OG SER A 111 -6.624 0.061 -11.236 1.00 0.00 O ATOM 0 H SER A 111 -5.117 -2.861 -9.241 1.00 0.00 H new ATOM 0 HA SER A 111 -5.031 -1.952 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.900 -1.692 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.926 -0.486 -9.379 1.00 0.00 H new ATOM 0 HG SER A 111 -7.436 0.461 -10.861 1.00 0.00 H new ATOM 2004 N MET A 112 -2.836 -0.536 -9.960 1.00 0.00 N ATOM 2005 CA MET A 112 -1.641 0.320 -9.906 1.00 0.00 C ATOM 2006 C MET A 112 -0.461 -0.220 -10.740 1.00 0.00 C ATOM 2007 O MET A 112 0.594 0.417 -10.784 1.00 0.00 O ATOM 2008 CB MET A 112 -1.200 0.530 -8.446 1.00 0.00 C ATOM 2009 CG MET A 112 -2.340 0.901 -7.488 1.00 0.00 C ATOM 2010 SD MET A 112 -1.815 1.099 -5.766 1.00 0.00 S ATOM 2011 CE MET A 112 -3.441 1.143 -4.975 1.00 0.00 C ATOM 0 H MET A 112 -2.939 -1.125 -9.133 1.00 0.00 H new ATOM 0 HA MET A 112 -1.927 1.273 -10.350 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.723 -0.383 -8.088 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.446 1.316 -8.416 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.799 1.830 -7.827 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.108 0.130 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.361 1.636 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.138 1.694 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.805 0.125 -4.835 1.00 0.00 H new ATOM 2021 N THR A 113 -0.611 -1.380 -11.392 1.00 0.00 N ATOM 2022 CA THR A 113 0.429 -2.071 -12.181 1.00 0.00 C ATOM 2023 C THR A 113 0.069 -2.458 -13.624 1.00 0.00 C ATOM 2024 O THR A 113 0.869 -3.102 -14.306 1.00 0.00 O ATOM 2025 CB THR A 113 1.167 -3.184 -11.400 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.546 -4.440 -11.582 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.267 -2.965 -9.886 1.00 0.00 C ATOM 0 H THR A 113 -1.496 -1.888 -11.387 1.00 0.00 H new ATOM 0 HA THR A 113 1.158 -1.276 -12.339 1.00 0.00 H new ATOM 0 HB THR A 113 2.173 -3.152 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.119 -5.145 -11.214 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.801 -3.800 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.806 -2.038 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.265 -2.901 -9.461 1.00 0.00 H new ATOM 2035 N GLY A 114 -1.104 -2.052 -14.127 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.492 -2.267 -15.529 1.00 0.00 C ATOM 2037 C GLY A 114 -2.950 -1.931 -15.870 1.00 0.00 C ATOM 2038 O GLY A 114 -3.766 -1.636 -14.993 1.00 0.00 O ATOM 0 H GLY A 114 -1.811 -1.566 -13.575 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.841 -1.666 -16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.309 -3.311 -15.782 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.270 -2.007 -17.166 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.614 -1.803 -17.726 1.00 0.00 C ATOM 2044 C GLY A 115 -5.076 -0.338 -17.815 1.00 0.00 C ATOM 2045 O GLY A 115 -4.341 0.594 -17.476 1.00 0.00 O ATOM 0 H GLY A 115 -2.576 -2.220 -17.882 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.642 -2.237 -18.726 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.330 -2.356 -17.118 1.00 0.00 H new ATOM 2049 N GLN A 116 -6.304 -0.141 -18.311 1.00 0.00 N ATOM 2050 CA GLN A 116 -6.928 1.169 -18.591 1.00 0.00 C ATOM 2051 C GLN A 116 -8.333 1.324 -17.962 1.00 0.00 C ATOM 2052 O GLN A 116 -9.148 2.137 -18.403 1.00 0.00 O ATOM 2053 CB GLN A 116 -6.920 1.444 -20.110 1.00 0.00 C ATOM 2054 CG GLN A 116 -5.502 1.514 -20.705 1.00 0.00 C ATOM 2055 CD GLN A 116 -5.470 1.946 -22.175 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -6.479 2.093 -22.856 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -4.296 2.168 -22.731 1.00 0.00 N ATOM 0 H GLN A 116 -6.921 -0.921 -18.540 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.324 1.934 -18.103 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.482 0.660 -20.618 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.436 2.384 -20.305 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -4.905 2.212 -20.118 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -5.030 0.536 -20.613 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.443 2.052 -22.184 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -4.241 2.456 -23.708 1.00 0.00 H new ATOM 2066 N GLN A 117 -8.630 0.536 -16.922 1.00 0.00 N ATOM 2067 CA GLN A 117 -9.915 0.498 -16.204 1.00 0.00 C ATOM 2068 C GLN A 117 -10.295 1.810 -15.482 1.00 0.00 C ATOM 2069 O GLN A 117 -11.481 2.056 -15.247 1.00 0.00 O ATOM 2070 CB GLN A 117 -9.920 -0.689 -15.213 1.00 0.00 C ATOM 2071 CG GLN A 117 -8.799 -0.703 -14.146 1.00 0.00 C ATOM 2072 CD GLN A 117 -7.426 -1.137 -14.667 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -7.281 -1.720 -15.732 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -6.357 -0.838 -13.968 1.00 0.00 N ATOM 0 H GLN A 117 -7.953 -0.123 -16.539 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.682 0.366 -16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.881 -0.700 -14.698 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.856 -1.613 -15.787 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.711 0.295 -13.718 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.094 -1.372 -13.337 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.450 -0.352 -13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.432 -1.092 -14.316 1.00 0.00 H new ATOM 2083 N MET A 118 -9.319 2.652 -15.123 1.00 0.00 N ATOM 2084 CA MET A 118 -9.549 3.957 -14.481 1.00 0.00 C ATOM 2085 C MET A 118 -9.973 5.042 -15.488 1.00 0.00 C ATOM 2086 O MET A 118 -9.450 5.109 -16.605 1.00 0.00 O ATOM 2087 CB MET A 118 -8.297 4.394 -13.703 1.00 0.00 C ATOM 2088 CG MET A 118 -7.930 3.465 -12.535 1.00 0.00 C ATOM 2089 SD MET A 118 -9.097 3.445 -11.139 1.00 0.00 S ATOM 2090 CE MET A 118 -10.105 1.983 -11.524 1.00 0.00 C ATOM 0 H MET A 118 -8.331 2.445 -15.271 1.00 0.00 H new ATOM 0 HA MET A 118 -10.378 3.835 -13.784 1.00 0.00 H new ATOM 0 HB2 MET A 118 -7.454 4.445 -14.392 1.00 0.00 H new ATOM 0 HB3 MET A 118 -8.455 5.401 -13.317 1.00 0.00 H new ATOM 0 HG2 MET A 118 -7.836 2.449 -12.920 1.00 0.00 H new ATOM 0 HG3 MET A 118 -6.949 3.756 -12.159 1.00 0.00 H new ATOM 0 HE1 MET A 118 -11.118 2.130 -11.148 1.00 0.00 H new ATOM 0 HE2 MET A 118 -10.136 1.837 -12.604 1.00 0.00 H new ATOM 0 HE3 MET A 118 -9.667 1.104 -11.051 1.00 0.00 H new ATOM 2100 N GLY A 119 -10.899 5.919 -15.079 1.00 0.00 N ATOM 2101 CA GLY A 119 -11.429 7.031 -15.887 1.00 0.00 C ATOM 2102 C GLY A 119 -12.599 7.750 -15.214 1.00 0.00 C ATOM 2103 O GLY A 119 -13.761 7.454 -15.569 1.00 0.00 O ATOM 2104 OXT GLY A 119 -12.344 8.596 -14.329 1.00 0.00 O ATOM 0 H GLY A 119 -11.314 5.875 -14.148 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.630 7.748 -16.078 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -11.752 6.648 -16.855 1.00 0.00 H new TER 2108 GLY A 119