USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 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 179 CYS SG : rot -160:sc= -0.215 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0.00959 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -2.98 K(o=-3.2,f=-2.5) USER MOD Set 2.1: A 157 HIS : no HD1:sc= -2.3 K(o=-1,f=-1.6!) USER MOD Set 2.2: A 178 TYR OH : rot -58:sc= 1.26 USER MOD Set 3.1: A 138 CYS SG : rot -85:sc= -3.61! USER MOD Set 3.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 160 CYS SG : rot -45:sc= -0.224 USER MOD Set 3.4: A 163 CYS SG : rot 145:sc= -3.7! USER MOD Single : A 139 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.5) USER MOD Single : A 148 SER OG : rot -105:sc= 0.969 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -2.32! USER MOD Single : A 154 HIS : no HE2:sc= -5.89! C(o=-5.9!,f=-5.1!) USER MOD Single : A 155 LYS NZ :NH3+ -176:sc= 0.197 (180deg=0.191) USER MOD Single : A 165 THR OG1 : rot 180:sc=0.000184 USER MOD Single : A 167 SER OG : rot 106:sc= 0.631 USER MOD Single : A 175 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 GLN : amide:sc= -0.125 K(o=-0.13,f=-2.3!) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -7.902 20.236 -11.988 1.00 0.00 N ATOM 18 CA ALA A 136 -8.235 19.184 -11.036 1.00 0.00 C ATOM 19 C ALA A 136 -9.618 19.408 -10.433 1.00 0.00 C ATOM 20 O ALA A 136 -9.931 20.502 -9.964 1.00 0.00 O ATOM 21 CB ALA A 136 -7.184 19.116 -9.939 1.00 0.00 C ATOM 0 HA ALA A 136 -8.250 18.234 -11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.444 18.326 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.211 18.902 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.143 20.071 -9.415 1.00 0.00 H new ATOM 27 N ARG A 137 -10.442 18.366 -10.454 1.00 0.00 N ATOM 28 CA ARG A 137 -11.794 18.449 -9.912 1.00 0.00 C ATOM 29 C ARG A 137 -12.345 17.059 -9.604 1.00 0.00 C ATOM 30 O ARG A 137 -12.517 16.239 -10.506 1.00 0.00 O ATOM 31 CB ARG A 137 -12.713 19.170 -10.902 1.00 0.00 C ATOM 32 CG ARG A 137 -14.180 19.172 -10.492 1.00 0.00 C ATOM 33 CD ARG A 137 -15.006 18.240 -11.366 1.00 0.00 C ATOM 34 NE ARG A 137 -15.177 18.766 -12.719 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.138 18.369 -13.551 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.011 17.442 -13.177 1.00 0.00 N ATOM 37 NH2 ARG A 137 -16.225 18.901 -14.763 1.00 0.00 N ATOM 0 H ARG A 137 -10.198 17.454 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.755 19.015 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.375 20.200 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.620 18.698 -11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.268 18.867 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.577 20.185 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.522 17.265 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.984 18.088 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.523 19.478 -13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.949 17.028 -12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.744 17.143 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.556 19.613 -15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.961 18.598 -15.401 1.00 0.00 H new ATOM 51 N CYS A 138 -12.628 16.801 -8.330 1.00 0.00 N ATOM 52 CA CYS A 138 -13.169 15.510 -7.921 1.00 0.00 C ATOM 53 C CYS A 138 -14.486 15.241 -8.640 1.00 0.00 C ATOM 54 O CYS A 138 -15.545 15.707 -8.216 1.00 0.00 O ATOM 55 CB CYS A 138 -13.374 15.466 -6.407 1.00 0.00 C ATOM 56 SG CYS A 138 -13.741 13.815 -5.767 1.00 0.00 S ATOM 0 H CYS A 138 -12.492 17.465 -7.568 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.453 14.734 -8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.477 15.844 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.190 16.138 -6.141 1.00 0.00 H new ATOM 0 HG CYS A 138 -15.016 13.584 -5.868 1.00 0.00 H new ATOM 61 N GLN A 139 -14.405 14.501 -9.743 1.00 0.00 N ATOM 62 CA GLN A 139 -15.583 14.184 -10.547 1.00 0.00 C ATOM 63 C GLN A 139 -16.293 12.921 -10.066 1.00 0.00 C ATOM 64 O GLN A 139 -16.741 12.108 -10.875 1.00 0.00 O ATOM 65 CB GLN A 139 -15.186 14.025 -12.018 1.00 0.00 C ATOM 66 CG GLN A 139 -14.114 12.972 -12.256 1.00 0.00 C ATOM 67 CD GLN A 139 -14.693 11.615 -12.603 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.667 11.515 -13.349 1.00 0.00 O ATOM 69 NE2 GLN A 139 -14.092 10.561 -12.063 1.00 0.00 N ATOM 0 H GLN A 139 -13.534 14.109 -10.101 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.281 15.014 -10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -16.072 13.765 -12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.829 14.984 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.461 13.301 -13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.496 12.881 -11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.287 10.691 -11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.435 9.621 -12.261 1.00 0.00 H new ATOM 78 N VAL A 140 -16.413 12.760 -8.752 1.00 0.00 N ATOM 79 CA VAL A 140 -17.094 11.597 -8.195 1.00 0.00 C ATOM 80 C VAL A 140 -18.583 11.891 -8.014 1.00 0.00 C ATOM 81 O VAL A 140 -18.951 12.881 -7.384 1.00 0.00 O ATOM 82 CB VAL A 140 -16.487 11.177 -6.841 1.00 0.00 C ATOM 83 CG1 VAL A 140 -17.035 9.827 -6.406 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.969 11.138 -6.922 1.00 0.00 C ATOM 0 H VAL A 140 -16.051 13.414 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.964 10.775 -8.899 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.770 11.919 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.595 9.547 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.118 9.890 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.785 9.075 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.561 10.840 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.664 10.420 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.593 12.127 -7.185 1.00 0.00 H new ATOM 94 N PRO A 141 -19.465 11.044 -8.573 1.00 0.00 N ATOM 95 CA PRO A 141 -20.916 11.235 -8.471 1.00 0.00 C ATOM 96 C PRO A 141 -21.366 11.609 -7.061 1.00 0.00 C ATOM 97 O PRO A 141 -21.971 12.661 -6.853 1.00 0.00 O ATOM 98 CB PRO A 141 -21.469 9.870 -8.869 1.00 0.00 C ATOM 99 CG PRO A 141 -20.463 9.332 -9.828 1.00 0.00 C ATOM 100 CD PRO A 141 -19.124 9.837 -9.354 1.00 0.00 C ATOM 0 HA PRO A 141 -21.266 12.057 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.581 9.218 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -22.452 9.958 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -20.485 8.242 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.671 9.672 -10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.609 9.096 -8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.466 10.073 -10.190 1.00 0.00 H new ATOM 108 N ASP A 142 -21.074 10.743 -6.098 1.00 0.00 N ATOM 109 CA ASP A 142 -21.454 10.985 -4.711 1.00 0.00 C ATOM 110 C ASP A 142 -20.632 12.117 -4.096 1.00 0.00 C ATOM 111 O ASP A 142 -21.041 12.722 -3.105 1.00 0.00 O ATOM 112 CB ASP A 142 -21.285 9.709 -3.884 1.00 0.00 C ATOM 113 CG ASP A 142 -19.845 9.239 -3.825 1.00 0.00 C ATOM 114 OD1 ASP A 142 -18.987 9.866 -4.482 1.00 0.00 O ATOM 115 OD2 ASP A 142 -19.573 8.245 -3.118 1.00 0.00 O ATOM 0 H ASP A 142 -20.575 9.867 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.502 11.284 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.647 9.886 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.904 8.919 -4.310 1.00 0.00 H new ATOM 120 N CYS A 143 -19.471 12.401 -4.683 1.00 0.00 N ATOM 121 CA CYS A 143 -18.603 13.461 -4.178 1.00 0.00 C ATOM 122 C CYS A 143 -18.131 14.376 -5.304 1.00 0.00 C ATOM 123 O CYS A 143 -17.131 14.100 -5.967 1.00 0.00 O ATOM 124 CB CYS A 143 -17.395 12.860 -3.457 1.00 0.00 C ATOM 125 SG CYS A 143 -16.305 14.085 -2.696 1.00 0.00 S ATOM 0 H CYS A 143 -19.112 11.914 -5.504 1.00 0.00 H new ATOM 0 HA CYS A 143 -19.183 14.058 -3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.749 12.176 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.818 12.268 -4.168 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.315 13.480 -2.110 1.00 0.00 H new ATOM 130 N GLU A 144 -18.858 15.470 -5.512 1.00 0.00 N ATOM 131 CA GLU A 144 -18.512 16.433 -6.553 1.00 0.00 C ATOM 132 C GLU A 144 -17.731 17.601 -5.960 1.00 0.00 C ATOM 133 O GLU A 144 -18.278 18.684 -5.750 1.00 0.00 O ATOM 134 CB GLU A 144 -19.776 16.945 -7.246 1.00 0.00 C ATOM 135 CG GLU A 144 -19.495 17.727 -8.519 1.00 0.00 C ATOM 136 CD GLU A 144 -20.391 18.944 -8.663 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.546 18.889 -8.195 1.00 0.00 O ATOM 138 OE2 GLU A 144 -19.934 19.950 -9.244 1.00 0.00 O ATOM 0 H GLU A 144 -19.690 15.712 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.885 15.932 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.419 16.098 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -20.329 17.580 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -18.452 18.045 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -19.633 17.074 -9.381 1.00 0.00 H new ATOM 145 N ALA A 145 -16.452 17.369 -5.685 1.00 0.00 N ATOM 146 CA ALA A 145 -15.596 18.399 -5.107 1.00 0.00 C ATOM 147 C ALA A 145 -14.906 19.223 -6.188 1.00 0.00 C ATOM 148 O ALA A 145 -14.625 18.727 -7.279 1.00 0.00 O ATOM 149 CB ALA A 145 -14.562 17.766 -4.187 1.00 0.00 C ATOM 0 H ALA A 145 -15.985 16.478 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.227 19.072 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.929 18.544 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -15.069 17.231 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.947 17.069 -4.756 1.00 0.00 H new ATOM 155 N ASP A 146 -14.632 20.486 -5.873 1.00 0.00 N ATOM 156 CA ASP A 146 -13.972 21.384 -6.814 1.00 0.00 C ATOM 157 C ASP A 146 -12.552 21.700 -6.354 1.00 0.00 C ATOM 158 O ASP A 146 -12.250 22.827 -5.959 1.00 0.00 O ATOM 159 CB ASP A 146 -14.774 22.679 -6.963 1.00 0.00 C ATOM 160 CG ASP A 146 -14.318 23.509 -8.148 1.00 0.00 C ATOM 161 OD1 ASP A 146 -13.356 24.289 -7.989 1.00 0.00 O ATOM 162 OD2 ASP A 146 -14.923 23.377 -9.232 1.00 0.00 O ATOM 0 H ASP A 146 -14.857 20.910 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.920 20.885 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.831 22.437 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.679 23.269 -6.051 1.00 0.00 H new ATOM 167 N ILE A 147 -11.683 20.695 -6.407 1.00 0.00 N ATOM 168 CA ILE A 147 -10.294 20.861 -5.994 1.00 0.00 C ATOM 169 C ILE A 147 -9.479 21.564 -7.075 1.00 0.00 C ATOM 170 O ILE A 147 -8.576 20.974 -7.669 1.00 0.00 O ATOM 171 CB ILE A 147 -9.639 19.503 -5.672 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.782 18.546 -6.859 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.256 18.902 -4.417 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.470 17.949 -7.317 1.00 0.00 C ATOM 0 H ILE A 147 -11.917 19.757 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.302 21.475 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.576 19.663 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.462 17.740 -6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -10.239 19.080 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.783 17.944 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.103 19.579 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.325 18.753 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.649 17.282 -8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.794 18.747 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.021 17.387 -6.498 1.00 0.00 H new ATOM 186 N SER A 148 -9.800 22.829 -7.326 1.00 0.00 N ATOM 187 CA SER A 148 -9.094 23.609 -8.335 1.00 0.00 C ATOM 188 C SER A 148 -8.015 24.480 -7.696 1.00 0.00 C ATOM 189 O SER A 148 -7.652 25.528 -8.231 1.00 0.00 O ATOM 190 CB SER A 148 -10.076 24.483 -9.117 1.00 0.00 C ATOM 191 OG SER A 148 -10.755 25.382 -8.256 1.00 0.00 O ATOM 0 H SER A 148 -10.544 23.335 -6.845 1.00 0.00 H new ATOM 0 HA SER A 148 -8.613 22.913 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 148 -9.539 25.043 -9.883 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.800 23.851 -9.632 1.00 0.00 H new ATOM 0 HG SER A 148 -11.673 25.069 -8.115 1.00 0.00 H new ATOM 197 N GLU A 149 -7.507 24.039 -6.549 1.00 0.00 N ATOM 198 CA GLU A 149 -6.469 24.778 -5.839 1.00 0.00 C ATOM 199 C GLU A 149 -5.726 23.868 -4.866 1.00 0.00 C ATOM 200 O GLU A 149 -5.237 24.319 -3.831 1.00 0.00 O ATOM 201 CB GLU A 149 -7.079 25.960 -5.086 1.00 0.00 C ATOM 202 CG GLU A 149 -6.051 26.972 -4.608 1.00 0.00 C ATOM 203 CD GLU A 149 -6.466 28.404 -4.886 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.274 28.864 -6.031 1.00 0.00 O ATOM 205 OE2 GLU A 149 -6.982 29.064 -3.961 1.00 0.00 O ATOM 0 H GLU A 149 -7.797 23.174 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.757 25.154 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.797 26.462 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.634 25.585 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -5.893 26.845 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -5.097 26.773 -5.096 1.00 0.00 H new ATOM 212 N LEU A 150 -5.645 22.585 -5.207 1.00 0.00 N ATOM 213 CA LEU A 150 -4.962 21.612 -4.362 1.00 0.00 C ATOM 214 C LEU A 150 -3.551 21.343 -4.878 1.00 0.00 C ATOM 215 O LEU A 150 -3.203 21.733 -5.993 1.00 0.00 O ATOM 216 CB LEU A 150 -5.760 20.306 -4.305 1.00 0.00 C ATOM 217 CG LEU A 150 -6.161 19.852 -2.899 1.00 0.00 C ATOM 218 CD1 LEU A 150 -6.890 20.967 -2.166 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.024 18.598 -2.968 1.00 0.00 C ATOM 0 H LEU A 150 -6.043 22.196 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.888 22.025 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.663 20.424 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.170 19.517 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.255 19.613 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.167 20.626 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.237 21.836 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.789 21.239 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.299 18.290 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.926 18.808 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.464 17.797 -3.452 1.00 0.00 H new ATOM 231 N LYS A 151 -2.745 20.676 -4.062 1.00 0.00 N ATOM 232 CA LYS A 151 -1.373 20.354 -4.435 1.00 0.00 C ATOM 233 C LYS A 151 -0.987 18.962 -3.943 1.00 0.00 C ATOM 234 O LYS A 151 -1.162 18.638 -2.769 1.00 0.00 O ATOM 235 CB LYS A 151 -0.409 21.396 -3.864 1.00 0.00 C ATOM 236 CG LYS A 151 -0.579 21.631 -2.372 1.00 0.00 C ATOM 237 CD LYS A 151 0.441 22.628 -1.845 1.00 0.00 C ATOM 238 CE LYS A 151 0.938 22.239 -0.463 1.00 0.00 C ATOM 239 NZ LYS A 151 0.073 22.789 0.616 1.00 0.00 N ATOM 0 H LYS A 151 -3.018 20.347 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.307 20.366 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.615 21.076 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.554 22.339 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -1.585 21.999 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.474 20.686 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.284 22.685 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -0.006 23.621 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.971 21.153 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 151 1.958 22.600 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 0.447 22.500 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 0.061 23.827 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -0.895 22.425 0.505 1.00 0.00 H new ATOM 253 N GLY A 152 -0.463 18.144 -4.850 1.00 0.00 N ATOM 254 CA GLY A 152 -0.061 16.797 -4.490 1.00 0.00 C ATOM 255 C GLY A 152 -0.210 15.820 -5.638 1.00 0.00 C ATOM 256 O GLY A 152 0.302 16.057 -6.733 1.00 0.00 O ATOM 0 H GLY A 152 -0.310 18.390 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.977 16.808 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.661 16.456 -3.647 1.00 0.00 H new ATOM 260 N TYR A 153 -0.911 14.718 -5.389 1.00 0.00 N ATOM 261 CA TYR A 153 -1.123 13.700 -6.413 1.00 0.00 C ATOM 262 C TYR A 153 -2.590 13.642 -6.825 1.00 0.00 C ATOM 263 O TYR A 153 -2.909 13.395 -7.989 1.00 0.00 O ATOM 264 CB TYR A 153 -0.670 12.332 -5.903 1.00 0.00 C ATOM 265 CG TYR A 153 -1.379 11.887 -4.642 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.681 11.407 -4.690 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.747 11.950 -3.407 1.00 0.00 C ATOM 268 CE1 TYR A 153 -3.334 11.001 -3.541 1.00 0.00 C ATOM 269 CE2 TYR A 153 -1.394 11.546 -2.254 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.686 11.072 -2.327 1.00 0.00 C ATOM 271 OH TYR A 153 -3.332 10.668 -1.181 1.00 0.00 O ATOM 0 H TYR A 153 -1.341 14.507 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.529 13.969 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.836 11.590 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.403 12.362 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -3.192 11.350 -5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.266 12.320 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -4.347 10.630 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -0.889 11.602 -1.301 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.735 10.781 -0.412 1.00 0.00 H new ATOM 281 N HIS A 154 -3.481 13.869 -5.864 1.00 0.00 N ATOM 282 CA HIS A 154 -4.915 13.844 -6.132 1.00 0.00 C ATOM 283 C HIS A 154 -5.308 14.920 -7.141 1.00 0.00 C ATOM 284 O HIS A 154 -6.375 14.851 -7.750 1.00 0.00 O ATOM 285 CB HIS A 154 -5.705 14.034 -4.834 1.00 0.00 C ATOM 286 CG HIS A 154 -5.166 15.116 -3.950 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.787 14.898 -2.643 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.944 16.431 -4.192 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.355 16.032 -2.118 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.440 16.975 -3.037 1.00 0.00 N ATOM 0 H HIS A 154 -3.236 14.072 -4.895 1.00 0.00 H new ATOM 0 HA HIS A 154 -5.156 12.870 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.742 14.263 -5.081 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.709 13.095 -4.281 1.00 0.00 H new ATOM 0 HD1 HIS A 154 -4.833 14.002 -2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -5.129 16.953 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.994 16.164 -1.109 1.00 0.00 H new ATOM 298 N LYS A 155 -4.441 15.914 -7.313 1.00 0.00 N ATOM 299 CA LYS A 155 -4.705 17.002 -8.249 1.00 0.00 C ATOM 300 C LYS A 155 -4.734 16.487 -9.685 1.00 0.00 C ATOM 301 O LYS A 155 -5.601 16.866 -10.472 1.00 0.00 O ATOM 302 CB LYS A 155 -3.640 18.091 -8.106 1.00 0.00 C ATOM 303 CG LYS A 155 -4.006 19.395 -8.797 1.00 0.00 C ATOM 304 CD LYS A 155 -3.650 19.362 -10.275 1.00 0.00 C ATOM 305 CE LYS A 155 -3.732 20.745 -10.901 1.00 0.00 C ATOM 306 NZ LYS A 155 -4.653 20.775 -12.070 1.00 0.00 N ATOM 0 H LYS A 155 -3.552 15.988 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.682 17.425 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.471 18.286 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.699 17.724 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -5.074 19.581 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -3.485 20.222 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.642 18.965 -10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -4.325 18.685 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -4.072 21.462 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -2.737 21.060 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -4.628 21.718 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -4.354 20.062 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -5.622 20.566 -11.754 1.00 0.00 H new ATOM 320 N ARG A 156 -3.779 15.625 -10.019 1.00 0.00 N ATOM 321 CA ARG A 156 -3.691 15.059 -11.362 1.00 0.00 C ATOM 322 C ARG A 156 -4.484 13.756 -11.473 1.00 0.00 C ATOM 323 O ARG A 156 -4.090 12.846 -12.200 1.00 0.00 O ATOM 324 CB ARG A 156 -2.229 14.809 -11.734 1.00 0.00 C ATOM 325 CG ARG A 156 -1.916 15.091 -13.195 1.00 0.00 C ATOM 326 CD ARG A 156 -2.548 14.055 -14.109 1.00 0.00 C ATOM 327 NE ARG A 156 -2.059 14.167 -15.482 1.00 0.00 N ATOM 328 CZ ARG A 156 -0.891 13.680 -15.895 1.00 0.00 C ATOM 329 NH1 ARG A 156 -0.090 13.048 -15.046 1.00 0.00 N ATOM 330 NH2 ARG A 156 -0.521 13.826 -17.161 1.00 0.00 N ATOM 0 H ARG A 156 -3.054 15.302 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.124 15.780 -12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.592 15.433 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.978 13.772 -11.511 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.280 16.083 -13.461 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -0.836 15.097 -13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -2.334 13.056 -13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -3.631 14.175 -14.099 1.00 0.00 H new ATOM 0 HE ARG A 156 -2.647 14.646 -16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -0.368 12.933 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 156 0.804 12.677 -15.368 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -1.132 14.312 -17.818 1.00 0.00 H new ATOM 0 HH22 ARG A 156 0.374 13.453 -17.477 1.00 0.00 H new ATOM 344 N HIS A 157 -5.599 13.671 -10.755 1.00 0.00 N ATOM 345 CA HIS A 157 -6.432 12.473 -10.788 1.00 0.00 C ATOM 346 C HIS A 157 -7.906 12.809 -10.564 1.00 0.00 C ATOM 347 O HIS A 157 -8.701 11.935 -10.221 1.00 0.00 O ATOM 348 CB HIS A 157 -5.960 11.472 -9.732 1.00 0.00 C ATOM 349 CG HIS A 157 -4.716 10.736 -10.121 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.633 9.939 -11.242 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.499 10.682 -9.532 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.419 9.423 -11.326 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.712 9.860 -10.300 1.00 0.00 N ATOM 0 H HIS A 157 -5.946 14.412 -10.146 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.334 12.028 -11.778 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.782 12.001 -8.796 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.756 10.751 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -3.202 11.191 -8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.066 8.758 -12.101 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.738 9.625 -10.109 1.00 0.00 H new ATOM 361 N ARG A 158 -8.267 14.076 -10.765 1.00 0.00 N ATOM 362 CA ARG A 158 -9.648 14.525 -10.589 1.00 0.00 C ATOM 363 C ARG A 158 -10.261 13.953 -9.312 1.00 0.00 C ATOM 364 O ARG A 158 -11.287 13.271 -9.354 1.00 0.00 O ATOM 365 CB ARG A 158 -10.492 14.128 -11.801 1.00 0.00 C ATOM 366 CG ARG A 158 -10.120 14.879 -13.069 1.00 0.00 C ATOM 367 CD ARG A 158 -9.850 13.927 -14.225 1.00 0.00 C ATOM 368 NE ARG A 158 -8.645 13.128 -14.007 1.00 0.00 N ATOM 369 CZ ARG A 158 -8.371 12.006 -14.666 1.00 0.00 C ATOM 370 NH1 ARG A 158 -9.211 11.545 -15.585 1.00 0.00 N ATOM 371 NH2 ARG A 158 -7.252 11.342 -14.408 1.00 0.00 N ATOM 0 H ARG A 158 -7.620 14.811 -11.051 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.638 15.611 -10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.382 13.058 -11.976 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.543 14.308 -11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.927 15.560 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.236 15.489 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.705 13.264 -14.356 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -9.744 14.498 -15.148 1.00 0.00 H new ATOM 0 HE ARG A 158 -7.975 13.450 -13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -10.072 12.052 -15.789 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -8.995 10.684 -16.087 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -6.602 11.692 -13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -7.042 10.481 -14.913 1.00 0.00 H new ATOM 385 N VAL A 159 -9.626 14.237 -8.180 1.00 0.00 N ATOM 386 CA VAL A 159 -10.104 13.755 -6.890 1.00 0.00 C ATOM 387 C VAL A 159 -9.658 14.684 -5.766 1.00 0.00 C ATOM 388 O VAL A 159 -8.581 15.277 -5.830 1.00 0.00 O ATOM 389 CB VAL A 159 -9.598 12.327 -6.606 1.00 0.00 C ATOM 390 CG1 VAL A 159 -8.078 12.289 -6.587 1.00 0.00 C ATOM 391 CG2 VAL A 159 -10.171 11.805 -5.295 1.00 0.00 C ATOM 0 H VAL A 159 -8.777 14.800 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 159 -11.193 13.740 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.942 11.676 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.742 11.272 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.694 12.613 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.707 12.955 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.802 10.796 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.863 12.457 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -11.259 11.788 -5.355 1.00 0.00 H new ATOM 401 N CYS A 160 -10.490 14.811 -4.738 1.00 0.00 N ATOM 402 CA CYS A 160 -10.178 15.674 -3.606 1.00 0.00 C ATOM 403 C CYS A 160 -9.358 14.928 -2.556 1.00 0.00 C ATOM 404 O CYS A 160 -9.330 13.698 -2.532 1.00 0.00 O ATOM 405 CB CYS A 160 -11.466 16.226 -2.985 1.00 0.00 C ATOM 406 SG CYS A 160 -12.413 15.024 -2.018 1.00 0.00 S ATOM 0 H CYS A 160 -11.385 14.327 -4.666 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.579 16.508 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -11.212 17.069 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -12.101 16.612 -3.782 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.489 13.903 -2.673 1.00 0.00 H new ATOM 411 N LEU A 161 -8.688 15.684 -1.692 1.00 0.00 N ATOM 412 CA LEU A 161 -7.863 15.101 -0.639 1.00 0.00 C ATOM 413 C LEU A 161 -8.687 14.189 0.264 1.00 0.00 C ATOM 414 O LEU A 161 -8.201 13.160 0.733 1.00 0.00 O ATOM 415 CB LEU A 161 -7.211 16.207 0.194 1.00 0.00 C ATOM 416 CG LEU A 161 -6.249 15.719 1.280 1.00 0.00 C ATOM 417 CD1 LEU A 161 -5.102 16.700 1.457 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.989 15.518 2.595 1.00 0.00 C ATOM 0 H LEU A 161 -8.700 16.704 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 161 -7.086 14.502 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.669 16.874 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.997 16.797 0.665 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.835 14.760 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.429 16.336 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.556 16.795 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.497 17.674 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.290 15.171 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.431 16.463 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.776 14.776 2.460 1.00 0.00 H new ATOM 430 N ARG A 162 -9.937 14.574 0.508 1.00 0.00 N ATOM 431 CA ARG A 162 -10.827 13.792 1.357 1.00 0.00 C ATOM 432 C ARG A 162 -10.986 12.370 0.826 1.00 0.00 C ATOM 433 O ARG A 162 -11.095 11.417 1.598 1.00 0.00 O ATOM 434 CB ARG A 162 -12.196 14.466 1.456 1.00 0.00 C ATOM 435 CG ARG A 162 -12.941 14.145 2.742 1.00 0.00 C ATOM 436 CD ARG A 162 -12.711 15.211 3.801 1.00 0.00 C ATOM 437 NE ARG A 162 -11.351 15.170 4.333 1.00 0.00 N ATOM 438 CZ ARG A 162 -10.782 16.178 4.990 1.00 0.00 C ATOM 439 NH1 ARG A 162 -11.451 17.304 5.199 1.00 0.00 N ATOM 440 NH2 ARG A 162 -9.540 16.059 5.439 1.00 0.00 N ATOM 0 H ARG A 162 -10.355 15.424 0.129 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.381 13.740 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -12.066 15.546 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.805 14.158 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -14.008 14.061 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.613 13.177 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -12.903 16.195 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -13.423 15.073 4.615 1.00 0.00 H new ATOM 0 HE ARG A 162 -10.806 14.319 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -12.407 17.401 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -11.010 18.073 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.021 15.195 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -9.104 16.831 5.943 1.00 0.00 H new ATOM 454 N CYS A 163 -10.997 12.236 -0.496 1.00 0.00 N ATOM 455 CA CYS A 163 -11.144 10.930 -1.130 1.00 0.00 C ATOM 456 C CYS A 163 -9.821 10.168 -1.121 1.00 0.00 C ATOM 457 O CYS A 163 -9.802 8.937 -1.123 1.00 0.00 O ATOM 458 CB CYS A 163 -11.645 11.089 -2.566 1.00 0.00 C ATOM 459 SG CYS A 163 -13.438 11.281 -2.706 1.00 0.00 S ATOM 0 H CYS A 163 -10.906 13.014 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.876 10.358 -0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -11.161 11.957 -3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.337 10.218 -3.145 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.712 12.098 -3.680 1.00 0.00 H new ATOM 464 N ALA A 164 -8.716 10.908 -1.113 1.00 0.00 N ATOM 465 CA ALA A 164 -7.390 10.302 -1.106 1.00 0.00 C ATOM 466 C ALA A 164 -7.092 9.644 0.237 1.00 0.00 C ATOM 467 O ALA A 164 -6.478 8.578 0.294 1.00 0.00 O ATOM 468 CB ALA A 164 -6.333 11.347 -1.429 1.00 0.00 C ATOM 0 H ALA A 164 -8.713 11.928 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.368 9.527 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.347 10.882 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.527 11.768 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.366 12.141 -0.683 1.00 0.00 H new ATOM 474 N THR A 165 -7.530 10.285 1.315 1.00 0.00 N ATOM 475 CA THR A 165 -7.307 9.760 2.658 1.00 0.00 C ATOM 476 C THR A 165 -8.314 8.666 2.994 1.00 0.00 C ATOM 477 O THR A 165 -7.975 7.674 3.640 1.00 0.00 O ATOM 478 CB THR A 165 -7.401 10.872 3.719 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.625 11.600 3.560 1.00 0.00 O ATOM 480 CG2 THR A 165 -6.220 11.826 3.608 1.00 0.00 C ATOM 0 H THR A 165 -8.041 11.167 1.286 1.00 0.00 H new ATOM 0 HA THR A 165 -6.301 9.341 2.671 1.00 0.00 H new ATOM 0 HB THR A 165 -7.381 10.406 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.677 12.304 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 165 -6.308 12.603 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 165 -5.292 11.275 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 165 -6.214 12.284 2.619 1.00 0.00 H new ATOM 488 N ALA A 166 -9.553 8.852 2.554 1.00 0.00 N ATOM 489 CA ALA A 166 -10.609 7.881 2.808 1.00 0.00 C ATOM 490 C ALA A 166 -10.327 6.565 2.091 1.00 0.00 C ATOM 491 O ALA A 166 -9.655 6.540 1.062 1.00 0.00 O ATOM 492 CB ALA A 166 -11.956 8.441 2.378 1.00 0.00 C ATOM 0 H ALA A 166 -9.851 9.668 2.019 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.637 7.683 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.735 7.705 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.168 9.351 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.932 8.669 1.312 1.00 0.00 H new ATOM 498 N SER A 167 -10.847 5.473 2.643 1.00 0.00 N ATOM 499 CA SER A 167 -10.651 4.152 2.055 1.00 0.00 C ATOM 500 C SER A 167 -11.202 4.103 0.633 1.00 0.00 C ATOM 501 O SER A 167 -10.453 3.928 -0.329 1.00 0.00 O ATOM 502 CB SER A 167 -11.327 3.083 2.914 1.00 0.00 C ATOM 503 OG SER A 167 -12.652 3.459 3.248 1.00 0.00 O ATOM 0 H SER A 167 -11.407 5.477 3.496 1.00 0.00 H new ATOM 0 HA SER A 167 -9.580 3.953 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 167 -11.339 2.135 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 167 -10.750 2.926 3.825 1.00 0.00 H new ATOM 0 HG SER A 167 -13.285 2.932 2.717 1.00 0.00 H new ATOM 509 N PHE A 168 -12.515 4.258 0.509 1.00 0.00 N ATOM 510 CA PHE A 168 -13.169 4.232 -0.796 1.00 0.00 C ATOM 511 C PHE A 168 -14.343 5.205 -0.834 1.00 0.00 C ATOM 512 O PHE A 168 -14.661 5.850 0.165 1.00 0.00 O ATOM 513 CB PHE A 168 -13.650 2.818 -1.120 1.00 0.00 C ATOM 514 CG PHE A 168 -14.536 2.227 -0.061 1.00 0.00 C ATOM 515 CD1 PHE A 168 -15.909 2.401 -0.111 1.00 0.00 C ATOM 516 CD2 PHE A 168 -13.995 1.497 0.984 1.00 0.00 C ATOM 517 CE1 PHE A 168 -16.728 1.858 0.862 1.00 0.00 C ATOM 518 CE2 PHE A 168 -14.807 0.951 1.962 1.00 0.00 C ATOM 519 CZ PHE A 168 -16.174 1.132 1.899 1.00 0.00 C ATOM 0 H PHE A 168 -13.148 4.403 1.295 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.441 4.540 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.191 2.835 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -12.784 2.171 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -16.346 2.968 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -12.926 1.352 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -17.797 2.001 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -14.373 0.385 2.773 1.00 0.00 H new ATOM 0 HZ PHE A 168 -16.811 0.706 2.660 1.00 0.00 H new ATOM 529 N VAL A 169 -14.983 5.305 -1.993 1.00 0.00 N ATOM 530 CA VAL A 169 -16.122 6.200 -2.162 1.00 0.00 C ATOM 531 C VAL A 169 -17.228 5.537 -2.976 1.00 0.00 C ATOM 532 O VAL A 169 -16.958 4.768 -3.898 1.00 0.00 O ATOM 533 CB VAL A 169 -15.708 7.512 -2.854 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.760 8.309 -1.969 1.00 0.00 C ATOM 535 CG2 VAL A 169 -15.075 7.225 -4.207 1.00 0.00 C ATOM 0 H VAL A 169 -14.733 4.778 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.496 6.426 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.603 8.113 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.479 9.232 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.255 8.548 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.866 7.718 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.789 8.164 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.190 6.603 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.792 6.702 -4.840 1.00 0.00 H new ATOM 545 N VAL A 170 -18.474 5.843 -2.632 1.00 0.00 N ATOM 546 CA VAL A 170 -19.621 5.277 -3.332 1.00 0.00 C ATOM 547 C VAL A 170 -19.795 5.925 -4.702 1.00 0.00 C ATOM 548 O VAL A 170 -20.660 6.782 -4.891 1.00 0.00 O ATOM 549 CB VAL A 170 -20.920 5.453 -2.521 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.073 4.723 -3.192 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.729 4.964 -1.092 1.00 0.00 C ATOM 0 H VAL A 170 -18.715 6.480 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.426 4.212 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.164 6.515 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -22.981 4.859 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.225 5.126 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.841 3.660 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.657 5.096 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.459 3.908 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.934 5.537 -0.614 1.00 0.00 H new ATOM 561 N LEU A 171 -18.967 5.511 -5.656 1.00 0.00 N ATOM 562 CA LEU A 171 -19.028 6.049 -7.008 1.00 0.00 C ATOM 563 C LEU A 171 -20.399 5.810 -7.632 1.00 0.00 C ATOM 564 O LEU A 171 -21.328 5.363 -6.959 1.00 0.00 O ATOM 565 CB LEU A 171 -17.934 5.422 -7.877 1.00 0.00 C ATOM 566 CG LEU A 171 -17.281 6.374 -8.882 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.932 6.853 -8.369 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.127 5.700 -10.237 1.00 0.00 C ATOM 0 H LEU A 171 -18.245 4.804 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.864 7.125 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.159 5.019 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.362 4.580 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 171 -17.930 7.241 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.484 7.529 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.068 7.378 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.275 5.996 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.661 6.393 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.501 4.813 -10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.108 5.410 -10.613 1.00 0.00 H new ATOM 580 N ASP A 172 -20.521 6.115 -8.922 1.00 0.00 N ATOM 581 CA ASP A 172 -21.780 5.939 -9.640 1.00 0.00 C ATOM 582 C ASP A 172 -22.335 4.529 -9.458 1.00 0.00 C ATOM 583 O ASP A 172 -21.961 3.606 -10.183 1.00 0.00 O ATOM 584 CB ASP A 172 -21.584 6.233 -11.129 1.00 0.00 C ATOM 585 CG ASP A 172 -22.783 6.930 -11.742 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.848 6.290 -11.858 1.00 0.00 O ATOM 587 OD2 ASP A 172 -22.654 8.118 -12.108 1.00 0.00 O ATOM 0 H ASP A 172 -19.761 6.486 -9.492 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.501 6.642 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.699 6.855 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.399 5.299 -11.660 1.00 0.00 H new ATOM 592 N GLY A 173 -23.230 4.371 -8.487 1.00 0.00 N ATOM 593 CA GLY A 173 -23.829 3.074 -8.227 1.00 0.00 C ATOM 594 C GLY A 173 -22.799 1.974 -8.054 1.00 0.00 C ATOM 595 O GLY A 173 -23.044 0.823 -8.416 1.00 0.00 O ATOM 0 H GLY A 173 -23.552 5.120 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.442 3.136 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.495 2.815 -9.050 1.00 0.00 H new ATOM 599 N GLU A 174 -21.644 2.329 -7.502 1.00 0.00 N ATOM 600 CA GLU A 174 -20.574 1.361 -7.284 1.00 0.00 C ATOM 601 C GLU A 174 -19.591 1.864 -6.233 1.00 0.00 C ATOM 602 O GLU A 174 -19.652 3.019 -5.814 1.00 0.00 O ATOM 603 CB GLU A 174 -19.837 1.082 -8.597 1.00 0.00 C ATOM 604 CG GLU A 174 -20.418 -0.083 -9.384 1.00 0.00 C ATOM 605 CD GLU A 174 -19.415 -1.200 -9.600 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.761 -1.609 -8.617 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.284 -1.666 -10.751 1.00 0.00 O ATOM 0 H GLU A 174 -21.424 3.277 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 174 -21.022 0.436 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.864 1.978 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.789 0.876 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -21.286 -0.477 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.770 0.276 -10.351 1.00 0.00 H new ATOM 614 N ASN A 175 -18.686 0.987 -5.812 1.00 0.00 N ATOM 615 CA ASN A 175 -17.687 1.340 -4.810 1.00 0.00 C ATOM 616 C ASN A 175 -16.278 1.186 -5.374 1.00 0.00 C ATOM 617 O ASN A 175 -15.805 0.071 -5.589 1.00 0.00 O ATOM 618 CB ASN A 175 -17.850 0.466 -3.565 1.00 0.00 C ATOM 619 CG ASN A 175 -19.262 0.506 -3.014 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.893 1.561 -2.965 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.764 -0.649 -2.592 1.00 0.00 N ATOM 0 H ASN A 175 -18.624 0.026 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.838 2.383 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.587 -0.563 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.153 0.799 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.708 -0.685 -2.209 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.205 -1.500 -2.651 1.00 0.00 H new ATOM 628 N LYS A 176 -15.615 2.311 -5.613 1.00 0.00 N ATOM 629 CA LYS A 176 -14.262 2.298 -6.156 1.00 0.00 C ATOM 630 C LYS A 176 -13.237 2.636 -5.077 1.00 0.00 C ATOM 631 O LYS A 176 -13.530 3.377 -4.140 1.00 0.00 O ATOM 632 CB LYS A 176 -14.145 3.288 -7.316 1.00 0.00 C ATOM 633 CG LYS A 176 -15.227 3.119 -8.370 1.00 0.00 C ATOM 634 CD LYS A 176 -14.733 2.300 -9.551 1.00 0.00 C ATOM 635 CE LYS A 176 -13.951 3.156 -10.536 1.00 0.00 C ATOM 636 NZ LYS A 176 -13.417 2.353 -11.669 1.00 0.00 N ATOM 0 H LYS A 176 -15.992 3.243 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.056 1.293 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.188 4.303 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.169 3.170 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -16.095 2.632 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.554 4.099 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.101 1.487 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -15.582 1.843 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.596 3.945 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -13.126 3.644 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -12.891 2.974 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -12.781 1.616 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -14.205 1.907 -12.180 1.00 0.00 H new ATOM 650 N ARG A 177 -12.034 2.090 -5.221 1.00 0.00 N ATOM 651 CA ARG A 177 -10.962 2.335 -4.263 1.00 0.00 C ATOM 652 C ARG A 177 -9.765 2.990 -4.945 1.00 0.00 C ATOM 653 O ARG A 177 -9.272 2.498 -5.960 1.00 0.00 O ATOM 654 CB ARG A 177 -10.533 1.023 -3.600 1.00 0.00 C ATOM 655 CG ARG A 177 -10.061 1.194 -2.164 1.00 0.00 C ATOM 656 CD ARG A 177 -10.740 0.207 -1.229 1.00 0.00 C ATOM 657 NE ARG A 177 -10.279 0.352 0.150 1.00 0.00 N ATOM 658 CZ ARG A 177 -10.834 -0.273 1.187 1.00 0.00 C ATOM 659 NH1 ARG A 177 -11.867 -1.085 1.005 1.00 0.00 N ATOM 660 NH2 ARG A 177 -10.353 -0.084 2.407 1.00 0.00 N ATOM 0 H ARG A 177 -11.777 1.474 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.338 3.014 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.370 0.325 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.731 0.574 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -8.981 1.056 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.267 2.211 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -11.819 0.355 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -10.545 -0.809 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 177 -9.486 0.968 0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -12.240 -1.233 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -12.288 -1.561 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -9.559 0.539 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -10.777 -0.562 3.202 1.00 0.00 H new ATOM 674 N TYR A 178 -9.305 4.101 -4.383 1.00 0.00 N ATOM 675 CA TYR A 178 -8.168 4.824 -4.940 1.00 0.00 C ATOM 676 C TYR A 178 -6.922 3.946 -4.975 1.00 0.00 C ATOM 677 O TYR A 178 -6.374 3.587 -3.932 1.00 0.00 O ATOM 678 CB TYR A 178 -7.891 6.091 -4.127 1.00 0.00 C ATOM 679 CG TYR A 178 -6.772 6.937 -4.690 1.00 0.00 C ATOM 680 CD1 TYR A 178 -5.450 6.693 -4.346 1.00 0.00 C ATOM 681 CD2 TYR A 178 -7.041 7.979 -5.569 1.00 0.00 C ATOM 682 CE1 TYR A 178 -4.424 7.465 -4.859 1.00 0.00 C ATOM 683 CE2 TYR A 178 -6.020 8.755 -6.088 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.715 8.494 -5.730 1.00 0.00 C ATOM 685 OH TYR A 178 -3.696 9.264 -6.244 1.00 0.00 O ATOM 0 H TYR A 178 -9.701 4.521 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.419 5.104 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.801 6.690 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.643 5.809 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -5.219 5.886 -3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -8.063 8.186 -5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -3.401 7.263 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -6.245 9.561 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.191 9.671 -5.509 1.00 0.00 H new ATOM 695 N CYS A 179 -6.481 3.606 -6.181 1.00 0.00 N ATOM 696 CA CYS A 179 -5.296 2.771 -6.355 1.00 0.00 C ATOM 697 C CYS A 179 -4.034 3.629 -6.390 1.00 0.00 C ATOM 698 O CYS A 179 -3.784 4.341 -7.360 1.00 0.00 O ATOM 699 CB CYS A 179 -5.411 1.958 -7.646 1.00 0.00 C ATOM 700 SG CYS A 179 -4.005 0.866 -7.965 1.00 0.00 S ATOM 0 H CYS A 179 -6.925 3.895 -7.053 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.228 2.088 -5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.320 1.358 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.521 2.645 -8.485 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.976 0.553 -9.226 1.00 0.00 H new ATOM 705 N GLN A 180 -3.247 3.560 -5.323 1.00 0.00 N ATOM 706 CA GLN A 180 -2.014 4.335 -5.230 1.00 0.00 C ATOM 707 C GLN A 180 -0.973 3.856 -6.241 1.00 0.00 C ATOM 708 O GLN A 180 0.021 4.540 -6.488 1.00 0.00 O ATOM 709 CB GLN A 180 -1.440 4.246 -3.815 1.00 0.00 C ATOM 710 CG GLN A 180 -2.293 4.939 -2.766 1.00 0.00 C ATOM 711 CD GLN A 180 -2.141 4.322 -1.390 1.00 0.00 C ATOM 712 OE1 GLN A 180 -1.560 3.245 -1.240 1.00 0.00 O ATOM 713 NE2 GLN A 180 -2.661 5.001 -0.374 1.00 0.00 N ATOM 0 H GLN A 180 -3.440 2.976 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.257 5.372 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.327 3.196 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.443 4.686 -3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -2.020 5.993 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.340 4.894 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -3.134 5.889 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -2.588 4.635 0.575 1.00 0.00 H new ATOM 722 N GLN A 181 -1.200 2.679 -6.819 1.00 0.00 N ATOM 723 CA GLN A 181 -0.270 2.120 -7.795 1.00 0.00 C ATOM 724 C GLN A 181 -0.408 2.808 -9.151 1.00 0.00 C ATOM 725 O GLN A 181 0.582 3.014 -9.854 1.00 0.00 O ATOM 726 CB GLN A 181 -0.508 0.616 -7.947 1.00 0.00 C ATOM 727 CG GLN A 181 0.770 -0.186 -8.127 1.00 0.00 C ATOM 728 CD GLN A 181 0.563 -1.434 -8.963 1.00 0.00 C ATOM 729 OE1 GLN A 181 0.438 -1.364 -10.185 1.00 0.00 O ATOM 730 NE2 GLN A 181 0.523 -2.587 -8.305 1.00 0.00 N ATOM 0 H GLN A 181 -2.016 2.097 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 181 0.743 2.291 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.036 0.249 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.159 0.444 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.525 0.442 -8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.158 -0.469 -7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.631 -2.599 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 181 0.384 -3.460 -8.814 1.00 0.00 H new ATOM 739 N CYS A 182 -1.638 3.156 -9.516 1.00 0.00 N ATOM 740 CA CYS A 182 -1.895 3.814 -10.793 1.00 0.00 C ATOM 741 C CYS A 182 -2.370 5.252 -10.592 1.00 0.00 C ATOM 742 O CYS A 182 -2.256 6.083 -11.493 1.00 0.00 O ATOM 743 CB CYS A 182 -2.937 3.028 -11.590 1.00 0.00 C ATOM 744 SG CYS A 182 -2.587 1.259 -11.718 1.00 0.00 S ATOM 0 H CYS A 182 -2.470 2.994 -8.948 1.00 0.00 H new ATOM 0 HA CYS A 182 -0.958 3.841 -11.350 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -3.913 3.162 -11.123 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.004 3.448 -12.594 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.525 0.680 -12.407 1.00 0.00 H new ATOM 749 N GLY A 183 -2.906 5.540 -9.410 1.00 0.00 N ATOM 750 CA GLY A 183 -3.388 6.877 -9.122 1.00 0.00 C ATOM 751 C GLY A 183 -4.875 7.028 -9.385 1.00 0.00 C ATOM 752 O GLY A 183 -5.587 7.663 -8.609 1.00 0.00 O ATOM 0 H GLY A 183 -3.015 4.871 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.180 7.118 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -2.840 7.596 -9.730 1.00 0.00 H new ATOM 756 N LYS A 184 -5.342 6.442 -10.483 1.00 0.00 N ATOM 757 CA LYS A 184 -6.752 6.514 -10.846 1.00 0.00 C ATOM 758 C LYS A 184 -7.598 5.638 -9.928 1.00 0.00 C ATOM 759 O LYS A 184 -7.075 4.967 -9.039 1.00 0.00 O ATOM 760 CB LYS A 184 -6.947 6.084 -12.302 1.00 0.00 C ATOM 761 CG LYS A 184 -6.447 4.680 -12.594 1.00 0.00 C ATOM 762 CD LYS A 184 -7.152 4.077 -13.799 1.00 0.00 C ATOM 763 CE LYS A 184 -6.340 4.263 -15.070 1.00 0.00 C ATOM 764 NZ LYS A 184 -7.043 3.716 -16.263 1.00 0.00 N ATOM 0 H LYS A 184 -4.765 5.912 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.078 7.548 -10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -8.007 6.142 -12.550 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -6.428 6.788 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.372 4.706 -12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.608 4.046 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.323 3.014 -13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -8.130 4.542 -13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.140 5.324 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.375 3.769 -14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -6.456 3.863 -17.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -7.211 2.698 -16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -7.953 4.205 -16.384 1.00 0.00 H new ATOM 778 N PHE A 185 -8.910 5.650 -10.151 1.00 0.00 N ATOM 779 CA PHE A 185 -9.830 4.856 -9.344 1.00 0.00 C ATOM 780 C PHE A 185 -9.951 3.438 -9.894 1.00 0.00 C ATOM 781 O PHE A 185 -9.711 3.198 -11.077 1.00 0.00 O ATOM 782 CB PHE A 185 -11.209 5.517 -9.304 1.00 0.00 C ATOM 783 CG PHE A 185 -11.272 6.730 -8.421 1.00 0.00 C ATOM 784 CD1 PHE A 185 -10.823 6.676 -7.110 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.781 7.927 -8.902 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.884 7.791 -6.295 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.842 9.045 -8.092 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.393 8.977 -6.788 1.00 0.00 C ATOM 0 H PHE A 185 -9.359 6.200 -10.883 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.431 4.802 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.496 5.801 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -11.942 4.788 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.421 5.752 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.134 7.986 -9.921 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.534 7.735 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.241 9.971 -8.479 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.440 9.850 -6.154 1.00 0.00 H new ATOM 798 N HIS A 186 -10.331 2.503 -9.028 1.00 0.00 N ATOM 799 CA HIS A 186 -10.489 1.109 -9.427 1.00 0.00 C ATOM 800 C HIS A 186 -11.733 0.500 -8.788 1.00 0.00 C ATOM 801 O HIS A 186 -12.325 1.084 -7.882 1.00 0.00 O ATOM 802 CB HIS A 186 -9.252 0.297 -9.035 1.00 0.00 C ATOM 803 CG HIS A 186 -8.106 0.448 -9.986 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.257 0.875 -11.289 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.781 0.225 -9.817 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.076 0.908 -11.880 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.164 0.519 -11.008 1.00 0.00 N ATOM 0 H HIS A 186 -10.535 2.686 -8.046 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.604 1.079 -10.510 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.929 0.602 -8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.525 -0.757 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.299 -0.120 -8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -6.888 1.203 -12.902 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.163 0.448 -11.190 1.00 0.00 H new ATOM 815 N LEU A 187 -12.124 -0.674 -9.270 1.00 0.00 N ATOM 816 CA LEU A 187 -13.301 -1.361 -8.749 1.00 0.00 C ATOM 817 C LEU A 187 -12.945 -2.207 -7.530 1.00 0.00 C ATOM 818 O LEU A 187 -11.907 -2.868 -7.501 1.00 0.00 O ATOM 819 CB LEU A 187 -13.923 -2.242 -9.834 1.00 0.00 C ATOM 820 CG LEU A 187 -14.845 -1.511 -10.812 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.365 -2.468 -11.872 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.002 -0.861 -10.065 1.00 0.00 C ATOM 0 H LEU A 187 -11.644 -1.170 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.026 -0.607 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.121 -2.716 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.488 -3.040 -9.353 1.00 0.00 H new ATOM 0 HG LEU A 187 -14.271 -0.729 -11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.019 -1.930 -12.558 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -14.526 -2.889 -12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.924 -3.272 -11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -16.649 -0.345 -10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -16.575 -1.628 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.612 -0.145 -9.342 1.00 0.00 H new ATOM 834 N LEU A 188 -13.814 -2.179 -6.523 1.00 0.00 N ATOM 835 CA LEU A 188 -13.592 -2.942 -5.299 1.00 0.00 C ATOM 836 C LEU A 188 -13.568 -4.452 -5.565 1.00 0.00 C ATOM 837 O LEU A 188 -12.727 -5.160 -5.013 1.00 0.00 O ATOM 838 CB LEU A 188 -14.659 -2.603 -4.251 1.00 0.00 C ATOM 839 CG LEU A 188 -14.123 -1.954 -2.974 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.119 -0.440 -3.106 1.00 0.00 C ATOM 841 CD2 LEU A 188 -14.949 -2.385 -1.771 1.00 0.00 C ATOM 0 H LEU A 188 -14.678 -1.636 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.613 -2.659 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.391 -1.933 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.187 -3.518 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.096 -2.287 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.735 0.004 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -13.484 -0.149 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.135 -0.087 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -14.554 -1.914 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -15.986 -2.081 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -14.900 -3.469 -1.665 1.00 0.00 H new ATOM 853 N PRO A 189 -14.483 -4.983 -6.406 1.00 0.00 N ATOM 854 CA PRO A 189 -14.518 -6.422 -6.704 1.00 0.00 C ATOM 855 C PRO A 189 -13.227 -6.913 -7.353 1.00 0.00 C ATOM 856 O PRO A 189 -12.957 -8.114 -7.385 1.00 0.00 O ATOM 857 CB PRO A 189 -15.697 -6.572 -7.672 1.00 0.00 C ATOM 858 CG PRO A 189 -15.924 -5.208 -8.224 1.00 0.00 C ATOM 859 CD PRO A 189 -15.545 -4.254 -7.128 1.00 0.00 C ATOM 0 HA PRO A 189 -14.625 -7.016 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.468 -7.284 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.584 -6.942 -7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.318 -5.041 -9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.965 -5.073 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.185 -3.305 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.391 -4.027 -6.480 1.00 0.00 H new ATOM 867 N ASP A 190 -12.432 -5.981 -7.875 1.00 0.00 N ATOM 868 CA ASP A 190 -11.174 -6.327 -8.523 1.00 0.00 C ATOM 869 C ASP A 190 -9.994 -6.102 -7.582 1.00 0.00 C ATOM 870 O ASP A 190 -8.914 -5.695 -8.013 1.00 0.00 O ATOM 871 CB ASP A 190 -10.989 -5.503 -9.798 1.00 0.00 C ATOM 872 CG ASP A 190 -10.290 -6.281 -10.894 1.00 0.00 C ATOM 873 OD1 ASP A 190 -9.048 -6.393 -10.844 1.00 0.00 O ATOM 874 OD2 ASP A 190 -10.986 -6.779 -11.805 1.00 0.00 O ATOM 0 H ASP A 190 -12.639 -4.982 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.209 -7.385 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -11.963 -5.171 -10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -10.412 -4.607 -9.568 1.00 0.00 H new