USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 195 ZNZN :(H bumps) USER MOD Set 1.1: A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 172 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 121 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00383) USER MOD Single : A 142 LYS NZ :NH3+ 155:sc= -0.0393 (180deg=-0.731) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.028) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot -133:sc= 0.16 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 TYR OH : rot -173:sc= 0.132 USER MOD Single : A 169 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.168) USER MOD Single : A 174 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0573) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -3.367 -16.616 -4.895 1.00 0.00 N ATOM 2 CA ALA A 117 -2.541 -15.568 -4.245 1.00 0.00 C ATOM 3 C ALA A 117 -2.243 -14.448 -5.193 1.00 0.00 C ATOM 4 O ALA A 117 -2.035 -14.667 -6.388 1.00 0.00 O ATOM 5 CB ALA A 117 -1.210 -16.165 -3.743 1.00 0.00 C ATOM 0 HA ALA A 117 -3.112 -15.178 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.616 -15.383 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.415 -16.954 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.657 -16.580 -4.585 1.00 0.00 H new ATOM 11 N GLU A 118 -2.219 -13.205 -4.659 1.00 0.00 N ATOM 12 CA GLU A 118 -1.876 -12.020 -5.406 1.00 0.00 C ATOM 13 C GLU A 118 -0.719 -11.436 -4.652 1.00 0.00 C ATOM 14 O GLU A 118 -0.627 -11.582 -3.435 1.00 0.00 O ATOM 15 CB GLU A 118 -3.057 -11.022 -5.522 1.00 0.00 C ATOM 16 CG GLU A 118 -3.185 -10.325 -6.894 1.00 0.00 C ATOM 17 CD GLU A 118 -2.012 -9.391 -7.187 1.00 0.00 C ATOM 18 OE1 GLU A 118 -1.877 -8.361 -6.475 1.00 0.00 O ATOM 19 OE2 GLU A 118 -1.237 -9.692 -8.135 1.00 0.00 O ATOM 0 H GLU A 118 -2.444 -13.018 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.627 -12.251 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.985 -11.554 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.946 -10.259 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.248 -11.080 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.114 -9.756 -6.924 1.00 0.00 H new ATOM 26 N LYS A 119 0.229 -10.804 -5.379 1.00 0.00 N ATOM 27 CA LYS A 119 1.527 -10.499 -4.845 1.00 0.00 C ATOM 28 C LYS A 119 1.556 -9.214 -4.067 1.00 0.00 C ATOM 29 O LYS A 119 1.020 -8.192 -4.494 1.00 0.00 O ATOM 30 CB LYS A 119 2.630 -10.513 -5.905 1.00 0.00 C ATOM 31 CG LYS A 119 4.027 -10.842 -5.352 1.00 0.00 C ATOM 32 CD LYS A 119 5.166 -10.667 -6.367 1.00 0.00 C ATOM 33 CE LYS A 119 5.468 -9.197 -6.692 1.00 0.00 C ATOM 34 NZ LYS A 119 6.629 -9.083 -7.606 1.00 0.00 N ATOM 0 H LYS A 119 0.094 -10.503 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 119 1.736 -11.309 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.373 -11.244 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.664 -9.538 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.223 -10.204 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.030 -11.872 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.068 -11.138 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.907 -11.190 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.593 -8.735 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.671 -8.651 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.813 -8.080 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.467 -9.504 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.423 -9.585 -8.493 1.00 0.00 H new ATOM 48 N CYS A 120 2.230 -9.274 -2.895 1.00 0.00 N ATOM 49 CA CYS A 120 2.516 -8.183 -2.001 1.00 0.00 C ATOM 50 C CYS A 120 3.605 -7.351 -2.627 1.00 0.00 C ATOM 51 O CYS A 120 4.644 -7.875 -3.024 1.00 0.00 O ATOM 52 CB CYS A 120 2.981 -8.717 -0.623 1.00 0.00 C ATOM 53 SG CYS A 120 3.254 -7.458 0.659 1.00 0.00 S ATOM 0 H CYS A 120 2.604 -10.157 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 120 1.619 -7.584 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 120 2.237 -9.425 -0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 120 3.908 -9.273 -0.763 1.00 0.00 H new ATOM 58 N SER A 121 3.350 -6.030 -2.767 1.00 0.00 N ATOM 59 CA SER A 121 4.191 -5.110 -3.496 1.00 0.00 C ATOM 60 C SER A 121 5.441 -4.757 -2.715 1.00 0.00 C ATOM 61 O SER A 121 6.451 -4.381 -3.308 1.00 0.00 O ATOM 62 CB SER A 121 3.410 -3.814 -3.846 1.00 0.00 C ATOM 63 OG SER A 121 4.094 -3.006 -4.796 1.00 0.00 O ATOM 0 H SER A 121 2.529 -5.584 -2.359 1.00 0.00 H new ATOM 0 HA SER A 121 4.493 -5.609 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.429 -4.080 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 121 3.243 -3.237 -2.936 1.00 0.00 H new ATOM 0 HG SER A 121 3.870 -2.064 -4.646 1.00 0.00 H new ATOM 69 N ARG A 122 5.403 -4.876 -1.364 1.00 0.00 N ATOM 70 CA ARG A 122 6.496 -4.478 -0.506 1.00 0.00 C ATOM 71 C ARG A 122 7.557 -5.541 -0.491 1.00 0.00 C ATOM 72 O ARG A 122 8.691 -5.291 -0.899 1.00 0.00 O ATOM 73 CB ARG A 122 6.021 -4.243 0.946 1.00 0.00 C ATOM 74 CG ARG A 122 7.109 -3.901 1.988 1.00 0.00 C ATOM 75 CD ARG A 122 7.880 -2.604 1.707 1.00 0.00 C ATOM 76 NE ARG A 122 8.931 -2.412 2.759 1.00 0.00 N ATOM 77 CZ ARG A 122 10.186 -2.955 2.678 1.00 0.00 C ATOM 78 NH1 ARG A 122 10.563 -3.716 1.610 1.00 0.00 N ATOM 79 NH2 ARG A 122 11.076 -2.727 3.688 1.00 0.00 N ATOM 0 H ARG A 122 4.602 -5.254 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 122 6.896 -3.546 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.292 -3.433 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.499 -5.139 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.642 -3.825 2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.819 -4.727 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.341 -2.648 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.196 -1.755 1.701 1.00 0.00 H new ATOM 0 HE ARG A 122 8.700 -1.848 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.905 -3.891 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.503 -4.110 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.803 -2.159 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.014 -3.125 3.641 1.00 0.00 H new ATOM 93 N CYS A 123 7.210 -6.754 0.007 1.00 0.00 N ATOM 94 CA CYS A 123 8.186 -7.759 0.354 1.00 0.00 C ATOM 95 C CYS A 123 8.478 -8.632 -0.841 1.00 0.00 C ATOM 96 O CYS A 123 9.577 -9.172 -0.959 1.00 0.00 O ATOM 97 CB CYS A 123 7.757 -8.605 1.589 1.00 0.00 C ATOM 98 SG CYS A 123 6.233 -9.592 1.390 1.00 0.00 S ATOM 0 H CYS A 123 6.245 -7.040 0.170 1.00 0.00 H new ATOM 0 HA CYS A 123 9.102 -7.245 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.574 -9.281 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.623 -7.933 2.437 1.00 0.00 H new ATOM 103 N GLY A 124 7.502 -8.756 -1.773 1.00 0.00 N ATOM 104 CA GLY A 124 7.697 -9.413 -3.042 1.00 0.00 C ATOM 105 C GLY A 124 7.353 -10.869 -2.963 1.00 0.00 C ATOM 106 O GLY A 124 7.731 -11.638 -3.845 1.00 0.00 O ATOM 0 H GLY A 124 6.558 -8.392 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.079 -8.932 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.734 -9.299 -3.357 1.00 0.00 H new ATOM 110 N ASP A 125 6.617 -11.278 -1.903 1.00 0.00 N ATOM 111 CA ASP A 125 6.169 -12.637 -1.723 1.00 0.00 C ATOM 112 C ASP A 125 4.716 -12.644 -2.081 1.00 0.00 C ATOM 113 O ASP A 125 4.033 -11.632 -1.941 1.00 0.00 O ATOM 114 CB ASP A 125 6.311 -13.148 -0.269 1.00 0.00 C ATOM 115 CG ASP A 125 7.789 -13.162 0.124 1.00 0.00 C ATOM 116 OD1 ASP A 125 8.568 -13.905 -0.532 1.00 0.00 O ATOM 117 OD2 ASP A 125 8.160 -12.432 1.081 1.00 0.00 O ATOM 0 H ASP A 125 6.326 -10.651 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 125 6.782 -13.292 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.749 -12.506 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.891 -14.150 -0.182 1.00 0.00 H new ATOM 122 N SER A 126 4.211 -13.804 -2.564 1.00 0.00 N ATOM 123 CA SER A 126 2.833 -13.949 -2.964 1.00 0.00 C ATOM 124 C SER A 126 2.035 -14.273 -1.739 1.00 0.00 C ATOM 125 O SER A 126 2.185 -15.346 -1.155 1.00 0.00 O ATOM 126 CB SER A 126 2.609 -15.054 -4.020 1.00 0.00 C ATOM 127 OG SER A 126 3.311 -14.743 -5.216 1.00 0.00 O ATOM 0 H SER A 126 4.765 -14.652 -2.679 1.00 0.00 H new ATOM 0 HA SER A 126 2.520 -13.013 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 126 2.949 -16.013 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.544 -15.155 -4.231 1.00 0.00 H new ATOM 0 HG SER A 126 3.162 -15.452 -5.876 1.00 0.00 H new ATOM 133 N VAL A 127 1.178 -13.314 -1.312 1.00 0.00 N ATOM 134 CA VAL A 127 0.398 -13.436 -0.108 1.00 0.00 C ATOM 135 C VAL A 127 -0.908 -14.090 -0.479 1.00 0.00 C ATOM 136 O VAL A 127 -1.611 -13.660 -1.393 1.00 0.00 O ATOM 137 CB VAL A 127 0.234 -12.120 0.651 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.424 -11.015 -0.201 1.00 0.00 C ATOM 139 CG2 VAL A 127 -0.508 -12.376 1.977 1.00 0.00 C ATOM 0 H VAL A 127 1.025 -12.439 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 127 0.927 -14.063 0.609 1.00 0.00 H new ATOM 0 HB VAL A 127 1.226 -11.734 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.514 -10.104 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.191 -10.818 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.415 -11.341 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.624 -11.436 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.491 -12.798 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.065 -13.075 2.586 1.00 0.00 H new ATOM 149 N TYR A 128 -1.216 -15.204 0.223 1.00 0.00 N ATOM 150 CA TYR A 128 -2.336 -16.068 -0.045 1.00 0.00 C ATOM 151 C TYR A 128 -3.452 -15.673 0.883 1.00 0.00 C ATOM 152 O TYR A 128 -4.521 -15.264 0.434 1.00 0.00 O ATOM 153 CB TYR A 128 -1.988 -17.592 0.059 1.00 0.00 C ATOM 154 CG TYR A 128 -1.239 -17.993 1.315 1.00 0.00 C ATOM 155 CD1 TYR A 128 0.136 -17.731 1.456 1.00 0.00 C ATOM 156 CD2 TYR A 128 -1.911 -18.638 2.371 1.00 0.00 C ATOM 157 CE1 TYR A 128 0.812 -18.058 2.638 1.00 0.00 C ATOM 158 CE2 TYR A 128 -1.241 -18.964 3.556 1.00 0.00 C ATOM 159 CZ TYR A 128 0.121 -18.669 3.693 1.00 0.00 C ATOM 160 OH TYR A 128 0.796 -18.986 4.892 1.00 0.00 O ATOM 0 H TYR A 128 -0.657 -15.518 1.016 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.644 -15.937 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.914 -18.165 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -1.390 -17.873 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 128 0.677 -17.272 0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -2.957 -18.884 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 128 1.865 -17.839 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.774 -19.443 4.364 1.00 0.00 H new ATOM 0 HH TYR A 128 0.170 -19.404 5.519 1.00 0.00 H new ATOM 170 N ALA A 129 -3.203 -15.782 2.204 1.00 0.00 N ATOM 171 CA ALA A 129 -4.149 -15.463 3.235 1.00 0.00 C ATOM 172 C ALA A 129 -3.362 -15.547 4.511 1.00 0.00 C ATOM 173 O ALA A 129 -3.810 -16.136 5.493 1.00 0.00 O ATOM 174 CB ALA A 129 -5.333 -16.453 3.315 1.00 0.00 C ATOM 0 H ALA A 129 -2.307 -16.105 2.569 1.00 0.00 H new ATOM 0 HA ALA A 129 -4.592 -14.486 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.007 -16.150 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.872 -16.453 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -4.956 -17.455 3.518 1.00 0.00 H new ATOM 180 N ALA A 130 -2.145 -14.947 4.516 1.00 0.00 N ATOM 181 CA ALA A 130 -1.247 -14.973 5.645 1.00 0.00 C ATOM 182 C ALA A 130 -1.652 -13.864 6.577 1.00 0.00 C ATOM 183 O ALA A 130 -2.418 -14.087 7.513 1.00 0.00 O ATOM 184 CB ALA A 130 0.230 -14.811 5.226 1.00 0.00 C ATOM 0 H ALA A 130 -1.777 -14.432 3.716 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.320 -15.944 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.864 -14.837 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.509 -15.624 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.361 -13.857 4.714 1.00 0.00 H new ATOM 190 N GLU A 131 -1.161 -12.633 6.310 1.00 0.00 N ATOM 191 CA GLU A 131 -1.556 -11.439 7.013 1.00 0.00 C ATOM 192 C GLU A 131 -2.300 -10.593 6.018 1.00 0.00 C ATOM 193 O GLU A 131 -2.210 -9.366 6.052 1.00 0.00 O ATOM 194 CB GLU A 131 -0.337 -10.624 7.510 1.00 0.00 C ATOM 195 CG GLU A 131 0.553 -11.381 8.509 1.00 0.00 C ATOM 196 CD GLU A 131 1.752 -10.503 8.870 1.00 0.00 C ATOM 197 OE1 GLU A 131 1.531 -9.401 9.441 1.00 0.00 O ATOM 198 OE2 GLU A 131 2.903 -10.920 8.574 1.00 0.00 O ATOM 0 H GLU A 131 -0.467 -12.462 5.582 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.151 -11.713 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 131 0.266 -10.331 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -0.692 -9.706 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -0.015 -11.631 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 131 0.892 -12.321 8.074 1.00 0.00 H new ATOM 205 N LYS A 132 -3.057 -11.231 5.088 1.00 0.00 N ATOM 206 CA LYS A 132 -3.595 -10.549 3.938 1.00 0.00 C ATOM 207 C LYS A 132 -4.751 -9.679 4.340 1.00 0.00 C ATOM 208 O LYS A 132 -5.660 -10.117 5.044 1.00 0.00 O ATOM 209 CB LYS A 132 -4.061 -11.529 2.845 1.00 0.00 C ATOM 210 CG LYS A 132 -4.217 -10.889 1.458 1.00 0.00 C ATOM 211 CD LYS A 132 -4.493 -11.950 0.385 1.00 0.00 C ATOM 212 CE LYS A 132 -4.594 -11.412 -1.048 1.00 0.00 C ATOM 213 NZ LYS A 132 -5.698 -10.433 -1.183 1.00 0.00 N ATOM 0 H LYS A 132 -3.295 -12.222 5.135 1.00 0.00 H new ATOM 0 HA LYS A 132 -2.790 -9.939 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.346 -12.349 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.015 -11.963 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -5.033 -10.167 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -3.311 -10.339 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -3.700 -12.697 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -5.424 -12.461 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -3.652 -10.941 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -4.754 -12.240 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -5.761 -10.114 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -6.595 -10.881 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -5.514 -9.616 -0.567 1.00 0.00 H new ATOM 227 N VAL A 133 -4.708 -8.413 3.878 1.00 0.00 N ATOM 228 CA VAL A 133 -5.688 -7.398 4.154 1.00 0.00 C ATOM 229 C VAL A 133 -5.647 -6.522 2.939 1.00 0.00 C ATOM 230 O VAL A 133 -4.667 -6.517 2.195 1.00 0.00 O ATOM 231 CB VAL A 133 -5.418 -6.544 5.399 1.00 0.00 C ATOM 232 CG1 VAL A 133 -5.719 -7.362 6.673 1.00 0.00 C ATOM 233 CG2 VAL A 133 -3.973 -6.003 5.413 1.00 0.00 C ATOM 0 H VAL A 133 -3.951 -8.079 3.281 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.648 -7.870 4.361 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.082 -5.680 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.525 -6.749 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.764 -7.670 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.080 -8.245 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.818 -5.403 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.272 -6.838 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.807 -5.386 4.530 1.00 0.00 H new ATOM 243 N ILE A 134 -6.737 -5.756 2.711 1.00 0.00 N ATOM 244 CA ILE A 134 -6.814 -4.784 1.652 1.00 0.00 C ATOM 245 C ILE A 134 -6.821 -3.462 2.363 1.00 0.00 C ATOM 246 O ILE A 134 -7.505 -3.294 3.372 1.00 0.00 O ATOM 247 CB ILE A 134 -8.059 -4.950 0.781 1.00 0.00 C ATOM 248 CG1 ILE A 134 -8.114 -6.363 0.136 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.130 -3.838 -0.289 1.00 0.00 C ATOM 250 CD1 ILE A 134 -6.953 -6.695 -0.811 1.00 0.00 C ATOM 0 H ILE A 134 -7.585 -5.813 3.275 1.00 0.00 H new ATOM 0 HA ILE A 134 -5.981 -4.889 0.957 1.00 0.00 H new ATOM 0 HB ILE A 134 -8.934 -4.854 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.137 -7.107 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -9.050 -6.457 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.024 -3.975 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -8.170 -2.865 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.246 -3.888 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.084 -7.702 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -6.938 -5.979 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -6.011 -6.640 -0.265 1.00 0.00 H new ATOM 262 N GLY A 135 -6.036 -2.494 1.838 1.00 0.00 N ATOM 263 CA GLY A 135 -5.948 -1.156 2.360 1.00 0.00 C ATOM 264 C GLY A 135 -6.829 -0.326 1.491 1.00 0.00 C ATOM 265 O GLY A 135 -7.919 0.073 1.899 1.00 0.00 O ATOM 0 H GLY A 135 -5.443 -2.648 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.275 -1.119 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.920 -0.793 2.336 1.00 0.00 H new ATOM 269 N ALA A 136 -6.361 -0.071 0.250 1.00 0.00 N ATOM 270 CA ALA A 136 -7.104 0.640 -0.754 1.00 0.00 C ATOM 271 C ALA A 136 -7.608 -0.370 -1.742 1.00 0.00 C ATOM 272 O ALA A 136 -8.813 -0.474 -1.963 1.00 0.00 O ATOM 273 CB ALA A 136 -6.247 1.677 -1.494 1.00 0.00 C ATOM 0 H ALA A 136 -5.437 -0.368 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 136 -7.916 1.181 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -6.856 2.186 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -5.863 2.407 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -5.413 1.176 -1.986 1.00 0.00 H new ATOM 279 N GLY A 137 -6.685 -1.144 -2.358 1.00 0.00 N ATOM 280 CA GLY A 137 -7.058 -2.093 -3.375 1.00 0.00 C ATOM 281 C GLY A 137 -5.986 -3.126 -3.536 1.00 0.00 C ATOM 282 O GLY A 137 -6.233 -4.174 -4.133 1.00 0.00 O ATOM 0 H GLY A 137 -5.686 -1.114 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -7.999 -2.573 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -7.222 -1.578 -4.321 1.00 0.00 H new ATOM 286 N LYS A 138 -4.765 -2.864 -3.012 1.00 0.00 N ATOM 287 CA LYS A 138 -3.640 -3.757 -3.163 1.00 0.00 C ATOM 288 C LYS A 138 -3.632 -4.739 -2.012 1.00 0.00 C ATOM 289 O LYS A 138 -4.099 -4.393 -0.926 1.00 0.00 O ATOM 290 CB LYS A 138 -2.286 -3.010 -3.144 1.00 0.00 C ATOM 291 CG LYS A 138 -1.928 -2.347 -4.483 1.00 0.00 C ATOM 292 CD LYS A 138 -0.537 -1.695 -4.449 1.00 0.00 C ATOM 293 CE LYS A 138 0.009 -1.345 -5.838 1.00 0.00 C ATOM 294 NZ LYS A 138 1.335 -0.692 -5.732 1.00 0.00 N ATOM 0 H LYS A 138 -4.554 -2.022 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.752 -4.254 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.313 -2.247 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.497 -3.712 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.959 -3.093 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.676 -1.592 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.585 -0.788 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.160 -2.370 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.091 -2.250 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.688 -0.683 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 1.686 -0.463 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 1.248 0.182 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.003 -1.336 -5.262 1.00 0.00 H new ATOM 308 N PRO A 139 -3.118 -5.961 -2.186 1.00 0.00 N ATOM 309 CA PRO A 139 -2.901 -6.909 -1.107 1.00 0.00 C ATOM 310 C PRO A 139 -1.705 -6.485 -0.295 1.00 0.00 C ATOM 311 O PRO A 139 -0.732 -5.986 -0.858 1.00 0.00 O ATOM 312 CB PRO A 139 -2.625 -8.232 -1.823 1.00 0.00 C ATOM 313 CG PRO A 139 -1.960 -7.812 -3.131 1.00 0.00 C ATOM 314 CD PRO A 139 -2.685 -6.512 -3.476 1.00 0.00 C ATOM 0 HA PRO A 139 -3.744 -6.980 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.974 -8.877 -1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -3.545 -8.788 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -0.888 -7.657 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -2.086 -8.565 -3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -2.025 -5.820 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -3.536 -6.697 -4.131 1.00 0.00 H new ATOM 322 N TRP A 140 -1.797 -6.636 1.040 1.00 0.00 N ATOM 323 CA TRP A 140 -0.814 -6.132 1.955 1.00 0.00 C ATOM 324 C TRP A 140 -0.718 -7.112 3.078 1.00 0.00 C ATOM 325 O TRP A 140 -1.726 -7.646 3.531 1.00 0.00 O ATOM 326 CB TRP A 140 -1.178 -4.761 2.584 1.00 0.00 C ATOM 327 CG TRP A 140 -1.404 -3.607 1.624 1.00 0.00 C ATOM 328 CD1 TRP A 140 -2.510 -2.809 1.536 1.00 0.00 C ATOM 329 CD2 TRP A 140 -0.443 -3.069 0.696 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.302 -1.793 0.634 1.00 0.00 N ATOM 331 CE2 TRP A 140 -1.032 -1.924 0.113 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.844 -3.467 0.348 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.336 -1.157 -0.812 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.549 -2.687 -0.577 1.00 0.00 C ATOM 335 CH2 TRP A 140 0.967 -1.549 -1.151 1.00 0.00 C ATOM 0 H TRP A 140 -2.571 -7.119 1.495 1.00 0.00 H new ATOM 0 HA TRP A 140 0.111 -5.998 1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -2.082 -4.890 3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -0.380 -4.480 3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -3.421 -2.956 2.097 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -2.974 -1.065 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 140 1.287 -4.353 0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.786 -0.282 -1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.555 -2.967 -0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.530 -0.966 -1.865 1.00 0.00 H new ATOM 346 N HIS A 141 0.522 -7.346 3.572 1.00 0.00 N ATOM 347 CA HIS A 141 0.756 -7.884 4.892 1.00 0.00 C ATOM 348 C HIS A 141 0.648 -6.691 5.803 1.00 0.00 C ATOM 349 O HIS A 141 0.789 -5.553 5.356 1.00 0.00 O ATOM 350 CB HIS A 141 2.123 -8.563 5.141 1.00 0.00 C ATOM 351 CG HIS A 141 2.380 -9.779 4.295 1.00 0.00 C ATOM 352 ND1 HIS A 141 3.265 -9.827 3.244 1.00 0.00 N ATOM 353 CD2 HIS A 141 1.888 -11.029 4.461 1.00 0.00 C ATOM 354 CE1 HIS A 141 3.290 -11.074 2.790 1.00 0.00 C ATOM 355 NE2 HIS A 141 2.472 -11.822 3.513 1.00 0.00 N ATOM 0 H HIS A 141 1.377 -7.159 3.048 1.00 0.00 H new ATOM 0 HA HIS A 141 0.037 -8.687 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 141 2.914 -7.836 4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 141 2.187 -8.847 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 141 1.169 -11.341 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 141 3.885 -11.424 1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 141 2.306 -12.820 3.385 1.00 0.00 H new ATOM 363 N LYS A 142 0.306 -6.912 7.090 1.00 0.00 N ATOM 364 CA LYS A 142 -0.044 -5.836 7.990 1.00 0.00 C ATOM 365 C LYS A 142 1.138 -5.019 8.473 1.00 0.00 C ATOM 366 O LYS A 142 0.955 -4.034 9.187 1.00 0.00 O ATOM 367 CB LYS A 142 -0.836 -6.355 9.211 1.00 0.00 C ATOM 368 CG LYS A 142 -2.193 -6.960 8.809 1.00 0.00 C ATOM 369 CD LYS A 142 -3.042 -7.506 9.972 1.00 0.00 C ATOM 370 CE LYS A 142 -2.745 -8.962 10.372 1.00 0.00 C ATOM 371 NZ LYS A 142 -1.415 -9.119 11.009 1.00 0.00 N ATOM 0 H LYS A 142 0.270 -7.839 7.514 1.00 0.00 H new ATOM 0 HA LYS A 142 -0.669 -5.172 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -0.245 -7.108 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -0.998 -5.536 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -2.771 -6.198 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -2.016 -7.769 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -2.890 -6.868 10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -4.095 -7.428 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -3.516 -9.311 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -2.797 -9.596 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -1.420 -9.960 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -0.689 -9.231 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -1.202 -8.276 11.580 1.00 0.00 H new ATOM 385 N ASN A 143 2.372 -5.389 8.059 1.00 0.00 N ATOM 386 CA ASN A 143 3.582 -4.631 8.289 1.00 0.00 C ATOM 387 C ASN A 143 3.999 -4.024 6.965 1.00 0.00 C ATOM 388 O ASN A 143 4.679 -3.001 6.923 1.00 0.00 O ATOM 389 CB ASN A 143 4.717 -5.545 8.827 1.00 0.00 C ATOM 390 CG ASN A 143 5.925 -4.720 9.302 1.00 0.00 C ATOM 391 OD1 ASN A 143 5.808 -3.925 10.242 1.00 0.00 O ATOM 392 ND2 ASN A 143 7.097 -4.919 8.625 1.00 0.00 N ATOM 0 H ASN A 143 2.537 -6.252 7.542 1.00 0.00 H new ATOM 0 HA ASN A 143 3.398 -3.858 9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.340 -6.149 9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 143 5.031 -6.236 8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.933 -4.398 8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.135 -5.589 7.857 1.00 0.00 H new ATOM 399 N CYS A 144 3.584 -4.670 5.853 1.00 0.00 N ATOM 400 CA CYS A 144 3.933 -4.343 4.493 1.00 0.00 C ATOM 401 C CYS A 144 2.966 -3.361 3.865 1.00 0.00 C ATOM 402 O CYS A 144 2.734 -3.439 2.663 1.00 0.00 O ATOM 403 CB CYS A 144 3.874 -5.591 3.579 1.00 0.00 C ATOM 404 SG CYS A 144 5.131 -6.872 3.815 1.00 0.00 S ATOM 0 H CYS A 144 2.962 -5.476 5.907 1.00 0.00 H new ATOM 0 HA CYS A 144 4.937 -3.923 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.896 -6.054 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 144 3.932 -5.252 2.545 1.00 0.00 H new ATOM 409 N PHE A 145 2.358 -2.405 4.611 1.00 0.00 N ATOM 410 CA PHE A 145 1.471 -1.432 3.998 1.00 0.00 C ATOM 411 C PHE A 145 2.362 -0.393 3.384 1.00 0.00 C ATOM 412 O PHE A 145 2.773 0.545 4.057 1.00 0.00 O ATOM 413 CB PHE A 145 0.549 -0.674 4.987 1.00 0.00 C ATOM 414 CG PHE A 145 -0.619 -1.490 5.451 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.791 -1.539 4.677 1.00 0.00 C ATOM 416 CD2 PHE A 145 -0.610 -2.105 6.714 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.940 -2.172 5.162 1.00 0.00 C ATOM 418 CE2 PHE A 145 -1.765 -2.725 7.209 1.00 0.00 C ATOM 419 CZ PHE A 145 -2.929 -2.755 6.435 1.00 0.00 C ATOM 0 H PHE A 145 2.474 -2.302 5.619 1.00 0.00 H new ATOM 0 HA PHE A 145 0.824 -1.974 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.134 -0.364 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 145 0.182 0.234 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.805 -1.083 3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 145 0.293 -2.100 7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.833 -2.211 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -1.756 -3.180 8.189 1.00 0.00 H new ATOM 0 HZ PHE A 145 -3.820 -3.228 6.819 1.00 0.00 H new ATOM 429 N ARG A 146 2.714 -0.553 2.090 1.00 0.00 N ATOM 430 CA ARG A 146 3.681 0.307 1.467 1.00 0.00 C ATOM 431 C ARG A 146 2.935 1.394 0.773 1.00 0.00 C ATOM 432 O ARG A 146 1.930 1.163 0.102 1.00 0.00 O ATOM 433 CB ARG A 146 4.604 -0.410 0.464 1.00 0.00 C ATOM 434 CG ARG A 146 5.806 0.428 0.024 1.00 0.00 C ATOM 435 CD ARG A 146 6.687 -0.313 -0.985 1.00 0.00 C ATOM 436 NE ARG A 146 7.934 0.485 -1.213 1.00 0.00 N ATOM 437 CZ ARG A 146 9.108 -0.077 -1.636 1.00 0.00 C ATOM 438 NH1 ARG A 146 9.196 -1.412 -1.904 1.00 0.00 N ATOM 439 NH2 ARG A 146 10.210 0.715 -1.789 1.00 0.00 N ATOM 0 H ARG A 146 2.331 -1.274 1.478 1.00 0.00 H new ATOM 0 HA ARG A 146 4.338 0.690 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.963 -1.336 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.024 -0.686 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.455 1.360 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.401 0.694 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.937 -1.306 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.151 -0.452 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 146 7.907 1.491 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 146 8.378 -2.010 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 146 10.080 -1.812 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 146 10.152 1.713 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 146 11.091 0.308 -2.104 1.00 0.00 H new ATOM 453 N CYS A 147 3.451 2.623 0.935 1.00 0.00 N ATOM 454 CA CYS A 147 2.956 3.827 0.342 1.00 0.00 C ATOM 455 C CYS A 147 3.327 3.800 -1.122 1.00 0.00 C ATOM 456 O CYS A 147 4.400 3.336 -1.495 1.00 0.00 O ATOM 457 CB CYS A 147 3.597 5.020 1.074 1.00 0.00 C ATOM 458 SG CYS A 147 2.946 6.597 0.523 1.00 0.00 S ATOM 0 H CYS A 147 4.270 2.787 1.520 1.00 0.00 H new ATOM 0 HA CYS A 147 1.873 3.918 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 147 3.429 4.916 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 147 4.675 5.001 0.917 1.00 0.00 H new ATOM 463 N ALA A 148 2.415 4.257 -2.004 1.00 0.00 N ATOM 464 CA ALA A 148 2.621 4.151 -3.432 1.00 0.00 C ATOM 465 C ALA A 148 3.270 5.404 -3.948 1.00 0.00 C ATOM 466 O ALA A 148 3.738 5.442 -5.085 1.00 0.00 O ATOM 467 CB ALA A 148 1.310 3.902 -4.190 1.00 0.00 C ATOM 0 H ALA A 148 1.536 4.699 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 148 3.271 3.293 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 148 1.515 3.830 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.860 2.972 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 148 0.622 4.728 -4.008 1.00 0.00 H new ATOM 473 N LYS A 149 3.337 6.454 -3.095 1.00 0.00 N ATOM 474 CA LYS A 149 3.987 7.701 -3.394 1.00 0.00 C ATOM 475 C LYS A 149 5.419 7.574 -2.954 1.00 0.00 C ATOM 476 O LYS A 149 6.322 7.611 -3.788 1.00 0.00 O ATOM 477 CB LYS A 149 3.305 8.888 -2.668 1.00 0.00 C ATOM 478 CG LYS A 149 3.951 10.273 -2.861 1.00 0.00 C ATOM 479 CD LYS A 149 3.928 10.783 -4.310 1.00 0.00 C ATOM 480 CE LYS A 149 4.374 12.247 -4.450 1.00 0.00 C ATOM 481 NZ LYS A 149 5.775 12.432 -4.007 1.00 0.00 N ATOM 0 H LYS A 149 2.923 6.432 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 149 3.921 7.906 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.270 8.944 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 149 3.282 8.668 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 149 3.435 10.993 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 149 4.985 10.230 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 149 4.577 10.154 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 149 2.919 10.679 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 149 4.275 12.561 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 149 3.717 12.887 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 6.044 13.431 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 5.863 12.155 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 6.403 11.840 -4.587 1.00 0.00 H new ATOM 495 N CYS A 150 5.655 7.440 -1.624 1.00 0.00 N ATOM 496 CA CYS A 150 6.969 7.617 -1.053 1.00 0.00 C ATOM 497 C CYS A 150 7.631 6.297 -0.702 1.00 0.00 C ATOM 498 O CYS A 150 8.858 6.215 -0.678 1.00 0.00 O ATOM 499 CB CYS A 150 6.934 8.620 0.138 1.00 0.00 C ATOM 500 SG CYS A 150 6.205 8.038 1.707 1.00 0.00 S ATOM 0 H CYS A 150 4.932 7.208 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 150 7.603 8.062 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 150 7.957 8.939 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 150 6.382 9.504 -0.182 1.00 0.00 H new ATOM 505 N GLY A 151 6.839 5.225 -0.455 1.00 0.00 N ATOM 506 CA GLY A 151 7.337 3.878 -0.251 1.00 0.00 C ATOM 507 C GLY A 151 7.690 3.554 1.164 1.00 0.00 C ATOM 508 O GLY A 151 8.304 2.517 1.413 1.00 0.00 O ATOM 0 H GLY A 151 5.823 5.292 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.583 3.170 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 151 8.219 3.732 -0.874 1.00 0.00 H new ATOM 512 N LYS A 152 7.318 4.420 2.137 1.00 0.00 N ATOM 513 CA LYS A 152 7.516 4.136 3.541 1.00 0.00 C ATOM 514 C LYS A 152 6.523 3.084 3.954 1.00 0.00 C ATOM 515 O LYS A 152 5.347 3.163 3.602 1.00 0.00 O ATOM 516 CB LYS A 152 7.313 5.367 4.451 1.00 0.00 C ATOM 517 CG LYS A 152 8.400 6.438 4.258 1.00 0.00 C ATOM 518 CD LYS A 152 8.150 7.731 5.057 1.00 0.00 C ATOM 519 CE LYS A 152 8.151 7.568 6.586 1.00 0.00 C ATOM 520 NZ LYS A 152 9.453 7.057 7.078 1.00 0.00 N ATOM 0 H LYS A 152 6.878 5.321 1.952 1.00 0.00 H new ATOM 0 HA LYS A 152 8.549 3.809 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.337 5.806 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 152 7.307 5.046 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 152 9.363 6.021 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 152 8.469 6.685 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 152 8.913 8.460 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 152 7.189 8.147 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 152 7.935 8.528 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 152 7.356 6.883 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 9.436 7.007 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 9.623 6.108 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 10.214 7.697 6.774 1.00 0.00 H new ATOM 534 N SER A 153 7.003 2.055 4.695 1.00 0.00 N ATOM 535 CA SER A 153 6.185 0.947 5.123 1.00 0.00 C ATOM 536 C SER A 153 5.543 1.311 6.429 1.00 0.00 C ATOM 537 O SER A 153 6.137 1.981 7.275 1.00 0.00 O ATOM 538 CB SER A 153 6.942 -0.401 5.227 1.00 0.00 C ATOM 539 OG SER A 153 8.095 -0.315 6.059 1.00 0.00 O ATOM 0 H SER A 153 7.974 1.992 5.001 1.00 0.00 H new ATOM 0 HA SER A 153 5.432 0.778 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.269 -1.163 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 153 7.240 -0.725 4.230 1.00 0.00 H new ATOM 0 HG SER A 153 8.538 -1.188 6.095 1.00 0.00 H new ATOM 545 N LEU A 154 4.261 0.916 6.559 1.00 0.00 N ATOM 546 CA LEU A 154 3.341 1.436 7.532 1.00 0.00 C ATOM 547 C LEU A 154 2.734 0.233 8.185 1.00 0.00 C ATOM 548 O LEU A 154 2.797 -0.874 7.652 1.00 0.00 O ATOM 549 CB LEU A 154 2.262 2.320 6.864 1.00 0.00 C ATOM 550 CG LEU A 154 2.870 3.564 6.160 1.00 0.00 C ATOM 551 CD1 LEU A 154 2.304 3.787 4.745 1.00 0.00 C ATOM 552 CD2 LEU A 154 2.755 4.826 7.034 1.00 0.00 C ATOM 0 H LEU A 154 3.846 0.202 5.960 1.00 0.00 H new ATOM 0 HA LEU A 154 3.840 2.077 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 154 1.710 1.727 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 154 1.545 2.646 7.618 1.00 0.00 H new ATOM 0 HG LEU A 154 3.932 3.355 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.766 4.670 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 154 2.520 2.916 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.225 3.933 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.191 5.675 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.705 5.030 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 154 3.287 4.669 7.972 1.00 0.00 H new ATOM 564 N GLU A 155 2.159 0.422 9.389 1.00 0.00 N ATOM 565 CA GLU A 155 1.631 -0.663 10.177 1.00 0.00 C ATOM 566 C GLU A 155 0.536 -0.097 11.029 1.00 0.00 C ATOM 567 O GLU A 155 -0.427 -0.792 11.350 1.00 0.00 O ATOM 568 CB GLU A 155 2.680 -1.407 11.056 1.00 0.00 C ATOM 569 CG GLU A 155 3.425 -0.587 12.136 1.00 0.00 C ATOM 570 CD GLU A 155 4.378 0.438 11.519 1.00 0.00 C ATOM 571 OE1 GLU A 155 5.311 0.016 10.785 1.00 0.00 O ATOM 572 OE2 GLU A 155 4.183 1.658 11.773 1.00 0.00 O ATOM 0 H GLU A 155 2.057 1.338 9.825 1.00 0.00 H new ATOM 0 HA GLU A 155 1.269 -1.428 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 155 2.174 -2.235 11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 155 3.426 -1.842 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 155 2.699 -0.074 12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 155 3.987 -1.262 12.781 1.00 0.00 H new ATOM 579 N SER A 156 0.647 1.210 11.376 1.00 0.00 N ATOM 580 CA SER A 156 -0.373 1.966 12.063 1.00 0.00 C ATOM 581 C SER A 156 -1.422 2.320 11.049 1.00 0.00 C ATOM 582 O SER A 156 -2.617 2.165 11.299 1.00 0.00 O ATOM 583 CB SER A 156 0.176 3.273 12.678 1.00 0.00 C ATOM 584 OG SER A 156 1.166 2.984 13.656 1.00 0.00 O ATOM 0 H SER A 156 1.480 1.761 11.170 1.00 0.00 H new ATOM 0 HA SER A 156 -0.767 1.361 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 156 0.602 3.900 11.895 1.00 0.00 H new ATOM 0 HB3 SER A 156 -0.638 3.839 13.132 1.00 0.00 H new ATOM 0 HG SER A 156 1.505 3.821 14.035 1.00 0.00 H new ATOM 590 N THR A 157 -0.953 2.765 9.855 1.00 0.00 N ATOM 591 CA THR A 157 -1.734 2.972 8.659 1.00 0.00 C ATOM 592 C THR A 157 -2.571 4.216 8.822 1.00 0.00 C ATOM 593 O THR A 157 -2.016 5.314 8.797 1.00 0.00 O ATOM 594 CB THR A 157 -2.486 1.739 8.155 1.00 0.00 C ATOM 595 OG1 THR A 157 -1.633 0.602 8.213 1.00 0.00 O ATOM 596 CG2 THR A 157 -2.932 1.931 6.688 1.00 0.00 C ATOM 0 H THR A 157 0.032 2.994 9.718 1.00 0.00 H new ATOM 0 HA THR A 157 -1.045 3.142 7.832 1.00 0.00 H new ATOM 0 HB THR A 157 -3.362 1.596 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 157 -1.689 0.108 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 157 -3.465 1.042 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 157 -3.590 2.797 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 157 -2.056 2.090 6.059 1.00 0.00 H new ATOM 604 N THR A 158 -3.915 4.072 8.981 1.00 0.00 N ATOM 605 CA THR A 158 -4.890 5.147 8.995 1.00 0.00 C ATOM 606 C THR A 158 -4.986 5.668 7.584 1.00 0.00 C ATOM 607 O THR A 158 -5.490 4.967 6.706 1.00 0.00 O ATOM 608 CB THR A 158 -4.694 6.210 10.078 1.00 0.00 C ATOM 609 OG1 THR A 158 -4.437 5.581 11.329 1.00 0.00 O ATOM 610 CG2 THR A 158 -5.964 7.079 10.215 1.00 0.00 C ATOM 0 H THR A 158 -4.345 3.156 9.107 1.00 0.00 H new ATOM 0 HA THR A 158 -5.857 4.753 9.308 1.00 0.00 H new ATOM 0 HB THR A 158 -3.851 6.839 9.793 1.00 0.00 H new ATOM 0 HG1 THR A 158 -4.310 6.265 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 158 -5.809 7.830 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 158 -6.171 7.573 9.266 1.00 0.00 H new ATOM 0 HG23 THR A 158 -6.810 6.447 10.487 1.00 0.00 H new ATOM 618 N LEU A 159 -4.428 6.880 7.355 1.00 0.00 N ATOM 619 CA LEU A 159 -4.072 7.497 6.090 1.00 0.00 C ATOM 620 C LEU A 159 -5.168 7.568 5.048 1.00 0.00 C ATOM 621 O LEU A 159 -6.332 7.283 5.327 1.00 0.00 O ATOM 622 CB LEU A 159 -2.682 7.038 5.552 1.00 0.00 C ATOM 623 CG LEU A 159 -2.461 5.515 5.341 1.00 0.00 C ATOM 624 CD1 LEU A 159 -3.082 4.956 4.051 1.00 0.00 C ATOM 625 CD2 LEU A 159 -0.971 5.149 5.423 1.00 0.00 C ATOM 0 H LEU A 159 -4.201 7.495 8.136 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.950 8.550 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -2.508 7.538 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.919 7.396 6.243 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.996 5.037 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.880 3.887 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.159 5.122 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -2.648 5.462 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.851 4.076 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.421 5.688 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.583 5.422 6.404 1.00 0.00 H new ATOM 637 N THR A 160 -4.815 8.021 3.818 1.00 0.00 N ATOM 638 CA THR A 160 -5.759 8.268 2.753 1.00 0.00 C ATOM 639 C THR A 160 -5.663 7.130 1.767 1.00 0.00 C ATOM 640 O THR A 160 -4.595 6.567 1.531 1.00 0.00 O ATOM 641 CB THR A 160 -5.562 9.638 2.096 1.00 0.00 C ATOM 642 OG1 THR A 160 -6.581 9.928 1.141 1.00 0.00 O ATOM 643 CG2 THR A 160 -4.172 9.776 1.438 1.00 0.00 C ATOM 0 H THR A 160 -3.849 8.220 3.558 1.00 0.00 H new ATOM 0 HA THR A 160 -6.768 8.305 3.164 1.00 0.00 H new ATOM 0 HB THR A 160 -5.631 10.367 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 160 -6.419 10.811 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 160 -4.080 10.764 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 160 -3.397 9.649 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 160 -4.056 9.013 0.669 1.00 0.00 H new ATOM 651 N GLU A 161 -6.826 6.772 1.181 1.00 0.00 N ATOM 652 CA GLU A 161 -6.951 5.804 0.122 1.00 0.00 C ATOM 653 C GLU A 161 -7.491 6.624 -1.013 1.00 0.00 C ATOM 654 O GLU A 161 -8.508 7.300 -0.859 1.00 0.00 O ATOM 655 CB GLU A 161 -7.968 4.669 0.412 1.00 0.00 C ATOM 656 CG GLU A 161 -7.563 3.680 1.527 1.00 0.00 C ATOM 657 CD GLU A 161 -7.629 4.309 2.920 1.00 0.00 C ATOM 658 OE1 GLU A 161 -8.728 4.790 3.305 1.00 0.00 O ATOM 659 OE2 GLU A 161 -6.580 4.312 3.619 1.00 0.00 O ATOM 0 H GLU A 161 -7.721 7.175 1.457 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.998 5.304 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -8.923 5.121 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -8.129 4.106 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -8.219 2.810 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -6.550 3.322 1.341 1.00 0.00 H new ATOM 666 N LYS A 162 -6.805 6.609 -2.176 1.00 0.00 N ATOM 667 CA LYS A 162 -7.246 7.371 -3.326 1.00 0.00 C ATOM 668 C LYS A 162 -6.730 6.528 -4.427 1.00 0.00 C ATOM 669 O LYS A 162 -5.554 6.122 -4.344 1.00 0.00 O ATOM 670 CB LYS A 162 -6.603 8.776 -3.396 1.00 0.00 C ATOM 671 CG LYS A 162 -6.913 9.568 -4.676 1.00 0.00 C ATOM 672 CD LYS A 162 -6.258 10.956 -4.675 1.00 0.00 C ATOM 673 CE LYS A 162 -6.517 11.745 -5.964 1.00 0.00 C ATOM 674 NZ LYS A 162 -5.857 13.069 -5.914 1.00 0.00 N ATOM 0 H LYS A 162 -5.949 6.075 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.320 7.559 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -6.939 9.356 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -5.522 8.670 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -6.565 9.005 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -7.992 9.678 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -6.632 11.527 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -5.183 10.844 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -6.147 11.182 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -7.590 11.874 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -6.046 13.585 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -6.229 13.612 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -4.831 12.941 -5.801 1.00 0.00 H new ATOM 688 N GLU A 163 -7.574 6.089 -5.438 1.00 0.00 N ATOM 689 CA GLU A 163 -6.892 5.084 -6.204 1.00 0.00 C ATOM 690 C GLU A 163 -6.879 3.777 -5.458 1.00 0.00 C ATOM 691 O GLU A 163 -6.580 3.812 -4.272 1.00 0.00 O ATOM 692 CB GLU A 163 -5.676 5.402 -7.127 1.00 0.00 C ATOM 693 CG GLU A 163 -5.957 6.603 -8.049 1.00 0.00 C ATOM 694 CD GLU A 163 -4.863 6.731 -9.106 1.00 0.00 C ATOM 695 OE1 GLU A 163 -3.694 7.002 -8.725 1.00 0.00 O ATOM 696 OE2 GLU A 163 -5.184 6.564 -10.315 1.00 0.00 O ATOM 0 H GLU A 163 -8.526 6.368 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 163 -7.526 5.013 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -4.799 5.612 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -5.440 4.527 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -6.926 6.479 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -6.010 7.518 -7.459 1.00 0.00 H new ATOM 703 N GLY A 164 -7.571 2.689 -5.773 1.00 0.00 N ATOM 704 CA GLY A 164 -6.955 1.466 -5.199 1.00 0.00 C ATOM 705 C GLY A 164 -5.386 1.295 -4.984 1.00 0.00 C ATOM 706 O GLY A 164 -4.912 0.162 -5.055 1.00 0.00 O ATOM 0 H GLY A 164 -8.422 2.605 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -7.417 1.317 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -7.271 0.636 -5.831 1.00 0.00 H new ATOM 710 N GLU A 165 -4.565 2.376 -4.668 1.00 0.00 N ATOM 711 CA GLU A 165 -3.281 2.333 -4.036 1.00 0.00 C ATOM 712 C GLU A 165 -3.412 3.246 -2.830 1.00 0.00 C ATOM 713 O GLU A 165 -4.261 4.144 -2.791 1.00 0.00 O ATOM 714 CB GLU A 165 -2.157 2.904 -4.927 1.00 0.00 C ATOM 715 CG GLU A 165 -2.031 2.184 -6.280 1.00 0.00 C ATOM 716 CD GLU A 165 -0.847 2.758 -7.055 1.00 0.00 C ATOM 717 OE1 GLU A 165 -0.889 3.973 -7.387 1.00 0.00 O ATOM 718 OE2 GLU A 165 0.115 1.991 -7.327 1.00 0.00 O ATOM 0 H GLU A 165 -4.848 3.332 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 165 -3.018 1.301 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -2.344 3.963 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -1.208 2.832 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -1.892 1.114 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -2.949 2.305 -6.855 1.00 0.00 H new ATOM 725 N ILE A 166 -2.558 3.037 -1.800 1.00 0.00 N ATOM 726 CA ILE A 166 -2.548 3.881 -0.624 1.00 0.00 C ATOM 727 C ILE A 166 -1.471 4.909 -0.818 1.00 0.00 C ATOM 728 O ILE A 166 -0.531 4.703 -1.581 1.00 0.00 O ATOM 729 CB ILE A 166 -2.345 3.146 0.698 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.020 2.351 0.767 1.00 0.00 C ATOM 731 CG2 ILE A 166 -3.582 2.252 0.925 1.00 0.00 C ATOM 732 CD1 ILE A 166 -0.776 1.691 2.129 1.00 0.00 C ATOM 0 H ILE A 166 -1.872 2.283 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.539 4.327 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.252 3.876 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.026 1.582 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.190 3.022 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -3.472 1.710 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -4.477 2.873 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -3.673 1.541 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 166 0.170 1.150 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -0.738 2.457 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -1.586 0.995 2.347 1.00 0.00 H new ATOM 744 N TYR A 167 -1.615 6.060 -0.128 1.00 0.00 N ATOM 745 CA TYR A 167 -0.661 7.143 -0.131 1.00 0.00 C ATOM 746 C TYR A 167 -0.706 7.601 1.293 1.00 0.00 C ATOM 747 O TYR A 167 -1.783 7.578 1.885 1.00 0.00 O ATOM 748 CB TYR A 167 -1.060 8.370 -0.992 1.00 0.00 C ATOM 749 CG TYR A 167 -1.256 7.990 -2.432 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.184 7.482 -3.181 1.00 0.00 C ATOM 751 CD2 TYR A 167 -2.505 8.152 -3.058 1.00 0.00 C ATOM 752 CE1 TYR A 167 -0.348 7.148 -4.529 1.00 0.00 C ATOM 753 CE2 TYR A 167 -2.677 7.808 -4.404 1.00 0.00 C ATOM 754 CZ TYR A 167 -1.598 7.300 -5.139 1.00 0.00 C ATOM 755 OH TYR A 167 -1.762 6.943 -6.493 1.00 0.00 O ATOM 0 H TYR A 167 -2.429 6.248 0.458 1.00 0.00 H new ATOM 0 HA TYR A 167 0.291 6.795 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -1.979 8.807 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.287 9.135 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.779 7.347 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -3.339 8.545 -2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 167 0.489 6.773 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -3.641 7.934 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 167 -2.654 7.213 -6.797 1.00 0.00 H new ATOM 765 N CYS A 168 0.441 7.979 1.922 1.00 0.00 N ATOM 766 CA CYS A 168 0.432 8.157 3.355 1.00 0.00 C ATOM 767 C CYS A 168 0.233 9.607 3.637 1.00 0.00 C ATOM 768 O CYS A 168 0.538 10.453 2.803 1.00 0.00 O ATOM 769 CB CYS A 168 1.611 7.502 4.121 1.00 0.00 C ATOM 770 SG CYS A 168 3.266 8.229 3.954 1.00 0.00 S ATOM 0 H CYS A 168 1.334 8.154 1.462 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.405 7.592 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 168 1.356 7.499 5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 168 1.673 6.461 3.805 1.00 0.00 H new ATOM 775 N LYS A 169 -0.346 9.914 4.817 1.00 0.00 N ATOM 776 CA LYS A 169 -0.870 11.218 5.154 1.00 0.00 C ATOM 777 C LYS A 169 0.211 12.244 5.395 1.00 0.00 C ATOM 778 O LYS A 169 -0.067 13.442 5.383 1.00 0.00 O ATOM 779 CB LYS A 169 -1.815 11.147 6.376 1.00 0.00 C ATOM 780 CG LYS A 169 -1.205 10.488 7.625 1.00 0.00 C ATOM 781 CD LYS A 169 -2.226 10.324 8.764 1.00 0.00 C ATOM 782 CE LYS A 169 -1.657 9.645 10.018 1.00 0.00 C ATOM 783 NZ LYS A 169 -1.220 8.258 9.732 1.00 0.00 N ATOM 0 H LYS A 169 -0.456 9.232 5.568 1.00 0.00 H new ATOM 0 HA LYS A 169 -1.438 11.544 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -2.130 12.158 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -2.712 10.596 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -0.805 9.510 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -0.367 11.090 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -2.611 11.306 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -3.072 9.741 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.814 10.223 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -2.413 9.635 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.033 7.762 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -1.968 7.759 9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.352 8.279 9.160 1.00 0.00 H new ATOM 797 N GLY A 170 1.476 11.796 5.581 1.00 0.00 N ATOM 798 CA GLY A 170 2.610 12.666 5.762 1.00 0.00 C ATOM 799 C GLY A 170 3.058 13.226 4.443 1.00 0.00 C ATOM 800 O GLY A 170 3.331 14.421 4.335 1.00 0.00 O ATOM 0 H GLY A 170 1.716 10.805 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.348 13.479 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.428 12.115 6.227 1.00 0.00 H new ATOM 804 N CYS A 171 3.146 12.359 3.403 1.00 0.00 N ATOM 805 CA CYS A 171 3.646 12.727 2.097 1.00 0.00 C ATOM 806 C CYS A 171 2.563 13.343 1.244 1.00 0.00 C ATOM 807 O CYS A 171 2.863 14.014 0.261 1.00 0.00 O ATOM 808 CB CYS A 171 4.282 11.526 1.342 1.00 0.00 C ATOM 809 SG CYS A 171 3.162 10.209 0.846 1.00 0.00 S ATOM 0 H CYS A 171 2.864 11.381 3.470 1.00 0.00 H new ATOM 0 HA CYS A 171 4.427 13.467 2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.777 11.907 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.056 11.095 1.977 1.00 0.00 H new ATOM 814 N TYR A 172 1.277 13.114 1.603 1.00 0.00 N ATOM 815 CA TYR A 172 0.122 13.561 0.862 1.00 0.00 C ATOM 816 C TYR A 172 -0.157 14.990 1.253 1.00 0.00 C ATOM 817 O TYR A 172 -0.530 15.807 0.411 1.00 0.00 O ATOM 818 CB TYR A 172 -1.113 12.668 1.164 1.00 0.00 C ATOM 819 CG TYR A 172 -2.258 12.921 0.219 1.00 0.00 C ATOM 820 CD1 TYR A 172 -2.277 12.323 -1.053 1.00 0.00 C ATOM 821 CD2 TYR A 172 -3.334 13.740 0.604 1.00 0.00 C ATOM 822 CE1 TYR A 172 -3.350 12.539 -1.926 1.00 0.00 C ATOM 823 CE2 TYR A 172 -4.406 13.962 -0.269 1.00 0.00 C ATOM 824 CZ TYR A 172 -4.414 13.363 -1.536 1.00 0.00 C ATOM 825 OH TYR A 172 -5.495 13.594 -2.417 1.00 0.00 O ATOM 0 H TYR A 172 1.031 12.595 2.446 1.00 0.00 H new ATOM 0 HA TYR A 172 0.321 13.491 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -0.822 11.619 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.445 12.848 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -1.456 11.691 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -3.334 14.201 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.358 12.071 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.227 14.595 0.034 1.00 0.00 H new ATOM 0 HH TYR A 172 -6.146 14.187 -1.987 1.00 0.00 H new ATOM 835 N ALA A 173 0.050 15.317 2.553 1.00 0.00 N ATOM 836 CA ALA A 173 -0.120 16.645 3.096 1.00 0.00 C ATOM 837 C ALA A 173 0.993 17.553 2.641 1.00 0.00 C ATOM 838 O ALA A 173 0.789 18.756 2.484 1.00 0.00 O ATOM 839 CB ALA A 173 -0.120 16.640 4.635 1.00 0.00 C ATOM 0 H ALA A 173 0.346 14.634 3.250 1.00 0.00 H new ATOM 0 HA ALA A 173 -1.083 17.005 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -0.250 17.658 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -0.937 16.016 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 173 0.828 16.242 4.998 1.00 0.00 H new ATOM 845 N LYS A 174 2.196 16.977 2.398 1.00 0.00 N ATOM 846 CA LYS A 174 3.360 17.692 1.931 1.00 0.00 C ATOM 847 C LYS A 174 3.187 18.016 0.469 1.00 0.00 C ATOM 848 O LYS A 174 3.324 19.170 0.063 1.00 0.00 O ATOM 849 CB LYS A 174 4.646 16.849 2.122 1.00 0.00 C ATOM 850 CG LYS A 174 5.961 17.523 1.684 1.00 0.00 C ATOM 851 CD LYS A 174 6.309 18.797 2.473 1.00 0.00 C ATOM 852 CE LYS A 174 7.632 19.450 2.044 1.00 0.00 C ATOM 853 NZ LYS A 174 8.788 18.558 2.304 1.00 0.00 N ATOM 0 H LYS A 174 2.364 15.980 2.531 1.00 0.00 H new ATOM 0 HA LYS A 174 3.461 18.608 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 174 4.730 16.582 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 174 4.534 15.918 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 174 6.776 16.808 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 174 5.894 17.772 0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 174 5.502 19.520 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 174 6.362 18.553 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 174 7.591 19.694 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 174 7.767 20.388 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 9.673 19.077 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 8.763 18.236 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 8.740 17.734 1.671 1.00 0.00 H new ATOM 867 N ASN A 175 2.852 16.989 -0.347 1.00 0.00 N ATOM 868 CA ASN A 175 2.634 17.125 -1.764 1.00 0.00 C ATOM 869 C ASN A 175 1.170 17.552 -1.951 1.00 0.00 C ATOM 870 O ASN A 175 0.937 18.668 -2.487 1.00 0.00 O ATOM 871 CB ASN A 175 2.879 15.787 -2.511 1.00 0.00 C ATOM 872 CG ASN A 175 2.820 15.973 -4.036 1.00 0.00 C ATOM 873 OD1 ASN A 175 3.622 16.722 -4.608 1.00 0.00 O ATOM 874 ND2 ASN A 175 1.849 15.270 -4.694 1.00 0.00 N ATOM 0 H ASN A 175 2.729 16.034 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 175 3.329 17.858 -2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 175 3.853 15.385 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 175 2.132 15.056 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 175 1.760 15.349 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 175 1.214 14.666 -4.172 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 4.331 -8.563 2.084 1.00 0.00 ZN HETATM 883 ZN ZN A 196 3.562 8.183 1.884 1.00 0.00 ZN