USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 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 -139:sc= -0.447 USER MOD Set 1.2: A 182 CYS SG : rot 147:sc= 0.0856 USER MOD Set 1.3: A 186 HIS : no HE2:sc= -2.23 K(o=-2.6,f=-3.2!) USER MOD Set 2.1: A 138 CYS SG : rot -100:sc= -4.24! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot 180:sc= -0.53 USER MOD Set 2.4: A 163 CYS SG : rot 145:sc= -0.343 USER MOD Single : A 139 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.3) USER MOD Single : A 148 SER OG : rot 23:sc= 0.0313 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-3.9!) USER MOD Single : A 155 LYS NZ :NH3+ 160:sc= -0.0209 (180deg=-0.169) USER MOD Single : A 157 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.4!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0888 USER MOD Single : A 175 ASN : amide:sc= -0.647 K(o=-0.65,f=-4.5!) USER MOD Single : A 176 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.187) USER MOD Single : A 178 TYR OH : rot 142:sc= 1.26 USER MOD Single : A 180 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.66) 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 -8.257 19.978 -12.394 1.00 0.00 N ATOM 18 CA ALA A 136 -8.240 19.407 -11.052 1.00 0.00 C ATOM 19 C ALA A 136 -9.579 19.616 -10.352 1.00 0.00 C ATOM 20 O ALA A 136 -9.846 20.688 -9.811 1.00 0.00 O ATOM 21 CB ALA A 136 -7.112 20.018 -10.234 1.00 0.00 C ATOM 0 HA ALA A 136 -8.069 18.334 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.111 19.583 -9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.158 19.814 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.258 21.096 -10.161 1.00 0.00 H new ATOM 27 N ARG A 137 -10.419 18.586 -10.371 1.00 0.00 N ATOM 28 CA ARG A 137 -11.731 18.658 -9.741 1.00 0.00 C ATOM 29 C ARG A 137 -12.283 17.263 -9.468 1.00 0.00 C ATOM 30 O ARG A 137 -12.518 16.488 -10.395 1.00 0.00 O ATOM 31 CB ARG A 137 -12.699 19.440 -10.636 1.00 0.00 C ATOM 32 CG ARG A 137 -14.110 19.532 -10.077 1.00 0.00 C ATOM 33 CD ARG A 137 -14.545 20.977 -9.888 1.00 0.00 C ATOM 34 NE ARG A 137 -15.910 21.076 -9.378 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.996 20.958 -10.139 1.00 0.00 C ATOM 36 NH1 ARG A 137 -16.881 20.734 -11.442 1.00 0.00 N ATOM 37 NH2 ARG A 137 -18.200 21.063 -9.595 1.00 0.00 N ATOM 0 H ARG A 137 -10.214 17.692 -10.816 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.625 19.175 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.310 20.447 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.737 18.966 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.803 19.028 -10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.158 19.009 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.863 21.473 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.475 21.504 -10.839 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.039 21.245 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.957 20.651 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.717 20.645 -12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.294 21.234 -8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -19.032 20.973 -10.177 1.00 0.00 H new ATOM 51 N CYS A 138 -12.496 16.948 -8.191 1.00 0.00 N ATOM 52 CA CYS A 138 -13.027 15.645 -7.809 1.00 0.00 C ATOM 53 C CYS A 138 -14.377 15.404 -8.477 1.00 0.00 C ATOM 54 O CYS A 138 -15.417 15.836 -7.977 1.00 0.00 O ATOM 55 CB CYS A 138 -13.168 15.544 -6.289 1.00 0.00 C ATOM 56 SG CYS A 138 -13.332 13.847 -5.684 1.00 0.00 S ATOM 0 H CYS A 138 -12.309 17.575 -7.409 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.327 14.880 -8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.298 16.004 -5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.040 16.118 -5.975 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.583 13.593 -5.439 1.00 0.00 H new ATOM 61 N GLN A 139 -14.343 14.723 -9.620 1.00 0.00 N ATOM 62 CA GLN A 139 -15.554 14.433 -10.383 1.00 0.00 C ATOM 63 C GLN A 139 -16.235 13.148 -9.916 1.00 0.00 C ATOM 64 O GLN A 139 -16.689 12.347 -10.733 1.00 0.00 O ATOM 65 CB GLN A 139 -15.224 14.328 -11.874 1.00 0.00 C ATOM 66 CG GLN A 139 -14.151 13.298 -12.195 1.00 0.00 C ATOM 67 CD GLN A 139 -14.729 11.955 -12.595 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.728 11.884 -13.309 1.00 0.00 O ATOM 69 NE2 GLN A 139 -14.102 10.880 -12.131 1.00 0.00 N ATOM 0 H GLN A 139 -13.487 14.361 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.248 15.257 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -16.132 14.075 -12.421 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.897 15.304 -12.234 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.523 13.674 -13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.507 13.167 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.276 10.986 -11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.446 9.949 -12.364 1.00 0.00 H new ATOM 78 N VAL A 140 -16.326 12.961 -8.603 1.00 0.00 N ATOM 79 CA VAL A 140 -16.975 11.778 -8.053 1.00 0.00 C ATOM 80 C VAL A 140 -18.464 12.043 -7.837 1.00 0.00 C ATOM 81 O VAL A 140 -18.831 12.994 -7.148 1.00 0.00 O ATOM 82 CB VAL A 140 -16.331 11.349 -6.720 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.870 9.999 -6.268 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.815 11.309 -6.849 1.00 0.00 C ATOM 0 H VAL A 140 -15.961 13.609 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.848 10.969 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.592 12.087 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.401 9.717 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.949 10.066 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.646 9.246 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.377 11.004 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.534 10.595 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.446 12.299 -7.118 1.00 0.00 H new ATOM 94 N PRO A 141 -19.350 11.216 -8.423 1.00 0.00 N ATOM 95 CA PRO A 141 -20.799 11.386 -8.285 1.00 0.00 C ATOM 96 C PRO A 141 -21.218 11.640 -6.841 1.00 0.00 C ATOM 97 O PRO A 141 -21.957 12.582 -6.555 1.00 0.00 O ATOM 98 CB PRO A 141 -21.382 10.057 -8.794 1.00 0.00 C ATOM 99 CG PRO A 141 -20.212 9.162 -9.052 1.00 0.00 C ATOM 100 CD PRO A 141 -19.028 10.059 -9.265 1.00 0.00 C ATOM 0 HA PRO A 141 -21.156 12.253 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -22.053 9.618 -8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.964 10.209 -9.703 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -20.044 8.491 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.387 8.537 -9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.097 9.581 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.914 10.339 -10.312 1.00 0.00 H new ATOM 108 N ASP A 142 -20.740 10.796 -5.934 1.00 0.00 N ATOM 109 CA ASP A 142 -21.065 10.932 -4.519 1.00 0.00 C ATOM 110 C ASP A 142 -20.258 12.056 -3.873 1.00 0.00 C ATOM 111 O ASP A 142 -20.624 12.560 -2.809 1.00 0.00 O ATOM 112 CB ASP A 142 -20.800 9.615 -3.786 1.00 0.00 C ATOM 113 CG ASP A 142 -19.418 9.063 -4.068 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.128 8.759 -5.245 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.623 8.935 -3.113 1.00 0.00 O ATOM 0 H ASP A 142 -20.127 10.011 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.123 11.181 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -20.914 9.771 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.549 8.881 -4.083 1.00 0.00 H new ATOM 120 N CYS A 143 -19.156 12.446 -4.512 1.00 0.00 N ATOM 121 CA CYS A 143 -18.307 13.508 -3.984 1.00 0.00 C ATOM 122 C CYS A 143 -17.870 14.471 -5.085 1.00 0.00 C ATOM 123 O CYS A 143 -16.833 14.274 -5.722 1.00 0.00 O ATOM 124 CB CYS A 143 -17.077 12.911 -3.295 1.00 0.00 C ATOM 125 SG CYS A 143 -15.940 14.139 -2.608 1.00 0.00 S ATOM 0 H CYS A 143 -18.833 12.044 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.891 14.069 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.409 12.251 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.537 12.294 -4.013 1.00 0.00 H new ATOM 0 HG CYS A 143 -14.936 13.534 -2.046 1.00 0.00 H new ATOM 130 N GLU A 144 -18.657 15.521 -5.295 1.00 0.00 N ATOM 131 CA GLU A 144 -18.344 16.522 -6.308 1.00 0.00 C ATOM 132 C GLU A 144 -17.542 17.661 -5.687 1.00 0.00 C ATOM 133 O GLU A 144 -18.061 18.755 -5.468 1.00 0.00 O ATOM 134 CB GLU A 144 -19.629 17.066 -6.937 1.00 0.00 C ATOM 135 CG GLU A 144 -19.474 17.453 -8.398 1.00 0.00 C ATOM 136 CD GLU A 144 -20.807 17.646 -9.094 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.598 16.682 -9.136 1.00 0.00 O ATOM 138 OE2 GLU A 144 -21.059 18.760 -9.599 1.00 0.00 O ATOM 0 H GLU A 144 -19.517 15.701 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.747 16.052 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.413 16.314 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.960 17.938 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -18.896 18.374 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -18.906 16.681 -8.916 1.00 0.00 H new ATOM 145 N ALA A 145 -16.276 17.388 -5.390 1.00 0.00 N ATOM 146 CA ALA A 145 -15.400 18.381 -4.778 1.00 0.00 C ATOM 147 C ALA A 145 -14.662 19.206 -5.825 1.00 0.00 C ATOM 148 O ALA A 145 -14.452 18.757 -6.951 1.00 0.00 O ATOM 149 CB ALA A 145 -14.407 17.701 -3.848 1.00 0.00 C ATOM 0 H ALA A 145 -15.833 16.486 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.025 19.063 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.758 18.452 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.947 17.170 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.803 16.993 -4.416 1.00 0.00 H new ATOM 155 N ASP A 146 -14.267 20.415 -5.438 1.00 0.00 N ATOM 156 CA ASP A 146 -13.543 21.311 -6.334 1.00 0.00 C ATOM 157 C ASP A 146 -12.103 21.490 -5.866 1.00 0.00 C ATOM 158 O ASP A 146 -11.800 22.393 -5.087 1.00 0.00 O ATOM 159 CB ASP A 146 -14.244 22.670 -6.404 1.00 0.00 C ATOM 160 CG ASP A 146 -13.574 23.616 -7.383 1.00 0.00 C ATOM 161 OD1 ASP A 146 -12.773 23.142 -8.215 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.851 24.833 -7.315 1.00 0.00 O ATOM 0 H ASP A 146 -14.436 20.798 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.532 20.866 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.284 22.525 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.252 23.123 -5.413 1.00 0.00 H new ATOM 167 N ILE A 147 -11.221 20.618 -6.343 1.00 0.00 N ATOM 168 CA ILE A 147 -9.812 20.671 -5.971 1.00 0.00 C ATOM 169 C ILE A 147 -8.989 21.423 -7.013 1.00 0.00 C ATOM 170 O ILE A 147 -7.820 21.111 -7.239 1.00 0.00 O ATOM 171 CB ILE A 147 -9.229 19.255 -5.801 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.395 18.451 -7.094 1.00 0.00 C ATOM 173 CG2 ILE A 147 -9.900 18.543 -4.632 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.126 17.759 -7.544 1.00 0.00 C ATOM 0 H ILE A 147 -11.458 19.865 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 147 -9.756 21.202 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.164 19.339 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.175 17.703 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.736 19.118 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.478 17.544 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -9.731 19.109 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -10.971 18.466 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.318 17.209 -8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.349 18.503 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -7.795 17.066 -6.770 1.00 0.00 H new ATOM 186 N SER A 148 -9.606 22.417 -7.646 1.00 0.00 N ATOM 187 CA SER A 148 -8.928 23.212 -8.662 1.00 0.00 C ATOM 188 C SER A 148 -7.704 23.915 -8.078 1.00 0.00 C ATOM 189 O SER A 148 -6.745 24.204 -8.793 1.00 0.00 O ATOM 190 CB SER A 148 -9.889 24.242 -9.258 1.00 0.00 C ATOM 191 OG SER A 148 -10.415 23.794 -10.496 1.00 0.00 O ATOM 0 H SER A 148 -10.573 22.690 -7.473 1.00 0.00 H new ATOM 0 HA SER A 148 -8.594 22.539 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 148 -10.705 24.430 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 148 -9.368 25.189 -9.402 1.00 0.00 H new ATOM 0 HG SER A 148 -10.354 22.817 -10.543 1.00 0.00 H new ATOM 197 N GLU A 149 -7.746 24.189 -6.778 1.00 0.00 N ATOM 198 CA GLU A 149 -6.642 24.860 -6.103 1.00 0.00 C ATOM 199 C GLU A 149 -6.072 23.986 -4.987 1.00 0.00 C ATOM 200 O GLU A 149 -5.994 24.408 -3.832 1.00 0.00 O ATOM 201 CB GLU A 149 -7.104 26.202 -5.534 1.00 0.00 C ATOM 202 CG GLU A 149 -7.959 27.011 -6.498 1.00 0.00 C ATOM 203 CD GLU A 149 -7.343 28.353 -6.842 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.118 28.400 -7.078 1.00 0.00 O ATOM 205 OE2 GLU A 149 -8.086 29.355 -6.875 1.00 0.00 O ATOM 0 H GLU A 149 -8.533 23.957 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.855 25.037 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.671 26.024 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -6.229 26.790 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -8.107 26.439 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -8.944 27.170 -6.058 1.00 0.00 H new ATOM 212 N LEU A 150 -5.671 22.769 -5.340 1.00 0.00 N ATOM 213 CA LEU A 150 -5.107 21.838 -4.370 1.00 0.00 C ATOM 214 C LEU A 150 -3.632 21.582 -4.660 1.00 0.00 C ATOM 215 O LEU A 150 -3.080 22.099 -5.632 1.00 0.00 O ATOM 216 CB LEU A 150 -5.884 20.518 -4.388 1.00 0.00 C ATOM 217 CG LEU A 150 -6.589 20.164 -3.077 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.888 20.942 -2.945 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.853 18.667 -3.002 1.00 0.00 C ATOM 0 H LEU A 150 -5.726 22.405 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.191 22.285 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.629 20.563 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.195 19.712 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.937 20.440 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.376 20.678 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.675 22.011 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.546 20.696 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.355 18.433 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.486 18.367 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.907 18.128 -3.052 1.00 0.00 H new ATOM 231 N LYS A 151 -2.996 20.781 -3.810 1.00 0.00 N ATOM 232 CA LYS A 151 -1.583 20.458 -3.978 1.00 0.00 C ATOM 233 C LYS A 151 -1.320 18.992 -3.652 1.00 0.00 C ATOM 234 O LYS A 151 -1.317 18.594 -2.487 1.00 0.00 O ATOM 235 CB LYS A 151 -0.723 21.353 -3.085 1.00 0.00 C ATOM 236 CG LYS A 151 -1.233 21.462 -1.657 1.00 0.00 C ATOM 237 CD LYS A 151 -1.406 22.910 -1.230 1.00 0.00 C ATOM 238 CE LYS A 151 -2.688 23.506 -1.790 1.00 0.00 C ATOM 239 NZ LYS A 151 -3.875 23.136 -0.971 1.00 0.00 N ATOM 0 H LYS A 151 -3.436 20.345 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.317 20.635 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.295 20.964 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.677 22.350 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -2.186 20.941 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.536 20.965 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 151 -1.420 22.970 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -0.552 23.496 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 151 -2.597 24.592 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 151 -2.832 23.162 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 -4.729 23.561 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 -3.977 22.101 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -3.750 23.487 0.000 1.00 0.00 H new ATOM 253 N GLY A 152 -1.098 18.191 -4.690 1.00 0.00 N ATOM 254 CA GLY A 152 -0.837 16.777 -4.494 1.00 0.00 C ATOM 255 C GLY A 152 -1.164 15.951 -5.723 1.00 0.00 C ATOM 256 O GLY A 152 -1.657 16.479 -6.721 1.00 0.00 O ATOM 0 H GLY A 152 -1.094 18.496 -5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.212 16.637 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.425 16.416 -3.650 1.00 0.00 H new ATOM 260 N TYR A 153 -0.888 14.653 -5.651 1.00 0.00 N ATOM 261 CA TYR A 153 -1.156 13.752 -6.767 1.00 0.00 C ATOM 262 C TYR A 153 -2.637 13.758 -7.131 1.00 0.00 C ATOM 263 O TYR A 153 -3.000 13.595 -8.295 1.00 0.00 O ATOM 264 CB TYR A 153 -0.708 12.330 -6.421 1.00 0.00 C ATOM 265 CG TYR A 153 -1.103 11.890 -5.028 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.428 11.615 -4.716 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.151 11.751 -4.028 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.793 11.213 -3.445 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.507 11.349 -2.754 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.830 11.082 -2.468 1.00 0.00 C ATOM 271 OH TYR A 153 -2.188 10.681 -1.201 1.00 0.00 O ATOM 0 H TYR A 153 -0.479 14.202 -4.833 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.589 14.104 -7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -1.135 11.637 -7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.376 12.266 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -3.186 11.717 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.885 11.960 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.828 11.003 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.246 11.245 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.390 10.638 -0.634 1.00 0.00 H new ATOM 281 N HIS A 154 -3.487 13.946 -6.126 1.00 0.00 N ATOM 282 CA HIS A 154 -4.931 13.973 -6.343 1.00 0.00 C ATOM 283 C HIS A 154 -5.326 15.091 -7.306 1.00 0.00 C ATOM 284 O HIS A 154 -6.411 15.065 -7.889 1.00 0.00 O ATOM 285 CB HIS A 154 -5.676 14.147 -5.014 1.00 0.00 C ATOM 286 CG HIS A 154 -5.017 15.100 -4.067 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.612 14.737 -2.800 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.698 16.409 -4.201 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.074 15.782 -2.196 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.112 16.808 -3.025 1.00 0.00 N ATOM 0 H HIS A 154 -3.203 14.082 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 154 -5.213 13.018 -6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.688 14.496 -5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.767 13.175 -4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.872 17.025 -5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.671 15.794 -1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -3.763 17.745 -2.825 1.00 0.00 H new ATOM 298 N LYS A 155 -4.444 16.072 -7.471 1.00 0.00 N ATOM 299 CA LYS A 155 -4.709 17.194 -8.364 1.00 0.00 C ATOM 300 C LYS A 155 -4.751 16.735 -9.819 1.00 0.00 C ATOM 301 O LYS A 155 -5.632 17.133 -10.580 1.00 0.00 O ATOM 302 CB LYS A 155 -3.641 18.274 -8.187 1.00 0.00 C ATOM 303 CG LYS A 155 -4.130 19.674 -8.527 1.00 0.00 C ATOM 304 CD LYS A 155 -3.549 20.167 -9.843 1.00 0.00 C ATOM 305 CE LYS A 155 -3.104 21.618 -9.747 1.00 0.00 C ATOM 306 NZ LYS A 155 -1.922 21.779 -8.856 1.00 0.00 N ATOM 0 H LYS A 155 -3.541 16.112 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.683 17.610 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.290 18.261 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.785 18.034 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -5.218 19.675 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -3.854 20.361 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.701 19.543 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -4.294 20.065 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -2.861 21.990 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -3.927 22.226 -9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.446 22.679 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -2.233 21.779 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.260 20.992 -9.012 1.00 0.00 H new ATOM 320 N ARG A 156 -3.787 15.901 -10.198 1.00 0.00 N ATOM 321 CA ARG A 156 -3.708 15.392 -11.564 1.00 0.00 C ATOM 322 C ARG A 156 -4.484 14.084 -11.722 1.00 0.00 C ATOM 323 O ARG A 156 -4.119 13.235 -12.535 1.00 0.00 O ATOM 324 CB ARG A 156 -2.249 15.180 -11.964 1.00 0.00 C ATOM 325 CG ARG A 156 -1.966 15.488 -13.425 1.00 0.00 C ATOM 326 CD ARG A 156 -0.627 14.917 -13.865 1.00 0.00 C ATOM 327 NE ARG A 156 -0.230 15.407 -15.182 1.00 0.00 N ATOM 328 CZ ARG A 156 0.719 14.843 -15.928 1.00 0.00 C ATOM 329 NH1 ARG A 156 1.367 13.771 -15.489 1.00 0.00 N ATOM 330 NH2 ARG A 156 1.019 15.352 -17.114 1.00 0.00 N ATOM 0 H ARG A 156 -3.050 15.563 -9.579 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.161 16.135 -12.221 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.615 15.809 -11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.972 14.146 -11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.761 15.075 -14.046 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.971 16.567 -13.578 1.00 0.00 H new ATOM 0 HD2 ARG A 156 0.138 15.181 -13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -0.686 13.829 -13.886 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.707 16.229 -15.552 1.00 0.00 H new ATOM 0 HH11 ARG A 156 1.139 13.375 -14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 156 2.093 13.343 -16.064 1.00 0.00 H new ATOM 0 HH21 ARG A 156 0.523 16.175 -17.456 1.00 0.00 H new ATOM 0 HH22 ARG A 156 1.745 14.920 -17.685 1.00 0.00 H new ATOM 344 N HIS A 157 -5.552 13.920 -10.946 1.00 0.00 N ATOM 345 CA HIS A 157 -6.364 12.709 -11.016 1.00 0.00 C ATOM 346 C HIS A 157 -7.841 13.009 -10.768 1.00 0.00 C ATOM 347 O HIS A 157 -8.621 12.109 -10.460 1.00 0.00 O ATOM 348 CB HIS A 157 -5.864 11.679 -10.002 1.00 0.00 C ATOM 349 CG HIS A 157 -4.720 10.852 -10.502 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.868 9.859 -11.448 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.404 10.875 -10.185 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.692 9.306 -11.689 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.788 9.904 -10.936 1.00 0.00 N ATOM 0 H HIS A 157 -5.874 14.607 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.267 12.303 -12.023 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.558 12.196 -9.093 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.688 11.019 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.928 11.534 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.503 8.501 -12.384 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.793 9.681 -10.915 1.00 0.00 H new ATOM 361 N ARG A 158 -8.222 14.279 -10.907 1.00 0.00 N ATOM 362 CA ARG A 158 -9.607 14.694 -10.701 1.00 0.00 C ATOM 363 C ARG A 158 -10.183 14.098 -9.417 1.00 0.00 C ATOM 364 O ARG A 158 -11.229 13.447 -9.435 1.00 0.00 O ATOM 365 CB ARG A 158 -10.465 14.282 -11.900 1.00 0.00 C ATOM 366 CG ARG A 158 -10.265 15.167 -13.120 1.00 0.00 C ATOM 367 CD ARG A 158 -9.009 14.785 -13.884 1.00 0.00 C ATOM 368 NE ARG A 158 -8.743 15.700 -14.994 1.00 0.00 N ATOM 369 CZ ARG A 158 -7.589 15.749 -15.654 1.00 0.00 C ATOM 370 NH1 ARG A 158 -6.589 14.941 -15.319 1.00 0.00 N ATOM 371 NH2 ARG A 158 -7.430 16.608 -16.651 1.00 0.00 N ATOM 0 H ARG A 158 -7.589 15.038 -11.162 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.620 15.780 -10.604 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.232 13.251 -12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.516 14.307 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -11.131 15.084 -13.777 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -10.200 16.209 -12.808 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -8.157 14.783 -13.204 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -9.113 13.770 -14.268 1.00 0.00 H new ATOM 0 HE ARG A 158 -9.486 16.338 -15.279 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -6.704 14.278 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -5.707 14.983 -15.829 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -8.193 17.232 -16.913 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -6.545 16.645 -17.156 1.00 0.00 H new ATOM 385 N VAL A 159 -9.494 14.330 -8.305 1.00 0.00 N ATOM 386 CA VAL A 159 -9.932 13.821 -7.012 1.00 0.00 C ATOM 387 C VAL A 159 -9.455 14.728 -5.881 1.00 0.00 C ATOM 388 O VAL A 159 -8.504 15.491 -6.047 1.00 0.00 O ATOM 389 CB VAL A 159 -9.422 12.386 -6.770 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.902 12.346 -6.792 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.960 11.836 -5.457 1.00 0.00 C ATOM 0 H VAL A 159 -8.628 14.868 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 159 -11.022 13.806 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.790 11.752 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.562 11.325 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.543 12.689 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.510 12.996 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.587 10.823 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.629 12.470 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -11.049 11.821 -5.488 1.00 0.00 H new ATOM 401 N CYS A 160 -10.121 14.645 -4.733 1.00 0.00 N ATOM 402 CA CYS A 160 -9.760 15.467 -3.583 1.00 0.00 C ATOM 403 C CYS A 160 -8.957 14.667 -2.560 1.00 0.00 C ATOM 404 O CYS A 160 -8.886 13.439 -2.633 1.00 0.00 O ATOM 405 CB CYS A 160 -11.017 16.056 -2.934 1.00 0.00 C ATOM 406 SG CYS A 160 -11.983 14.880 -1.951 1.00 0.00 S ATOM 0 H CYS A 160 -10.911 14.019 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.131 16.283 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.723 16.888 -2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.656 16.465 -3.717 1.00 0.00 H new ATOM 0 HG CYS A 160 -13.019 15.483 -1.448 1.00 0.00 H new ATOM 411 N LEU A 161 -8.354 15.372 -1.609 1.00 0.00 N ATOM 412 CA LEU A 161 -7.553 14.734 -0.570 1.00 0.00 C ATOM 413 C LEU A 161 -8.407 13.798 0.279 1.00 0.00 C ATOM 414 O LEU A 161 -7.954 12.728 0.689 1.00 0.00 O ATOM 415 CB LEU A 161 -6.901 15.794 0.320 1.00 0.00 C ATOM 416 CG LEU A 161 -5.847 15.261 1.294 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.737 16.281 1.489 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.489 14.904 2.627 1.00 0.00 C ATOM 0 H LEU A 161 -8.405 16.388 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.775 14.145 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.437 16.547 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.681 16.297 0.892 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.409 14.357 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -3.997 15.885 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.260 16.488 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.157 17.203 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -5.727 14.527 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -6.953 15.792 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.248 14.137 2.472 1.00 0.00 H new ATOM 430 N ARG A 162 -9.643 14.209 0.545 1.00 0.00 N ATOM 431 CA ARG A 162 -10.560 13.409 1.351 1.00 0.00 C ATOM 432 C ARG A 162 -10.748 12.018 0.753 1.00 0.00 C ATOM 433 O ARG A 162 -10.905 11.037 1.480 1.00 0.00 O ATOM 434 CB ARG A 162 -11.915 14.112 1.466 1.00 0.00 C ATOM 435 CG ARG A 162 -12.739 13.650 2.656 1.00 0.00 C ATOM 436 CD ARG A 162 -13.703 12.539 2.271 1.00 0.00 C ATOM 437 NE ARG A 162 -15.082 13.013 2.194 1.00 0.00 N ATOM 438 CZ ARG A 162 -16.055 12.366 1.554 1.00 0.00 C ATOM 439 NH1 ARG A 162 -15.802 11.220 0.935 1.00 0.00 N ATOM 440 NH2 ARG A 162 -17.282 12.867 1.533 1.00 0.00 N ATOM 0 H ARG A 162 -10.033 15.092 0.214 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.125 13.300 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.752 15.187 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.483 13.940 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -12.074 13.299 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -13.298 14.493 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.409 12.122 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -13.637 11.733 3.001 1.00 0.00 H new ATOM 0 HE ARG A 162 -15.314 13.891 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -14.859 10.831 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -16.550 10.728 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -17.481 13.748 2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -18.027 12.372 1.043 1.00 0.00 H new ATOM 454 N CYS A 163 -10.729 11.939 -0.574 1.00 0.00 N ATOM 455 CA CYS A 163 -10.899 10.666 -1.265 1.00 0.00 C ATOM 456 C CYS A 163 -9.583 9.898 -1.322 1.00 0.00 C ATOM 457 O CYS A 163 -9.572 8.666 -1.328 1.00 0.00 O ATOM 458 CB CYS A 163 -11.433 10.896 -2.679 1.00 0.00 C ATOM 459 SG CYS A 163 -13.215 11.194 -2.755 1.00 0.00 S ATOM 0 H CYS A 163 -10.598 12.740 -1.191 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.621 10.071 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.914 11.748 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.194 10.027 -3.292 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.472 12.051 -3.698 1.00 0.00 H new ATOM 464 N ALA A 164 -8.475 10.631 -1.365 1.00 0.00 N ATOM 465 CA ALA A 164 -7.155 10.016 -1.422 1.00 0.00 C ATOM 466 C ALA A 164 -6.869 9.209 -0.159 1.00 0.00 C ATOM 467 O ALA A 164 -6.302 8.119 -0.223 1.00 0.00 O ATOM 468 CB ALA A 164 -6.087 11.079 -1.622 1.00 0.00 C ATOM 0 H ALA A 164 -8.466 11.651 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.137 9.332 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.106 10.606 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.273 11.610 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.115 11.784 -0.791 1.00 0.00 H new ATOM 474 N THR A 165 -7.266 9.755 0.987 1.00 0.00 N ATOM 475 CA THR A 165 -7.052 9.085 2.264 1.00 0.00 C ATOM 476 C THR A 165 -8.232 8.186 2.620 1.00 0.00 C ATOM 477 O THR A 165 -8.073 7.187 3.322 1.00 0.00 O ATOM 478 CB THR A 165 -6.834 10.100 3.401 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.002 10.914 3.562 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.631 10.987 3.112 1.00 0.00 C ATOM 0 H THR A 165 -7.736 10.657 1.057 1.00 0.00 H new ATOM 0 HA THR A 165 -6.155 8.475 2.154 1.00 0.00 H new ATOM 0 HB THR A 165 -6.646 9.546 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 165 -7.856 11.556 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.497 11.696 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.738 10.369 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.796 11.532 2.182 1.00 0.00 H new ATOM 488 N ALA A 166 -9.416 8.548 2.134 1.00 0.00 N ATOM 489 CA ALA A 166 -10.623 7.772 2.402 1.00 0.00 C ATOM 490 C ALA A 166 -10.462 6.326 1.946 1.00 0.00 C ATOM 491 O ALA A 166 -9.747 6.044 0.986 1.00 0.00 O ATOM 492 CB ALA A 166 -11.821 8.413 1.720 1.00 0.00 C ATOM 0 H ALA A 166 -9.565 9.373 1.553 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.790 7.766 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.715 7.825 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -11.957 9.426 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.651 8.448 0.644 1.00 0.00 H new ATOM 498 N SER A 167 -11.135 5.412 2.641 1.00 0.00 N ATOM 499 CA SER A 167 -11.066 3.996 2.307 1.00 0.00 C ATOM 500 C SER A 167 -11.654 3.731 0.924 1.00 0.00 C ATOM 501 O SER A 167 -10.953 3.284 0.016 1.00 0.00 O ATOM 502 CB SER A 167 -11.809 3.166 3.356 1.00 0.00 C ATOM 503 OG SER A 167 -12.900 3.889 3.899 1.00 0.00 O ATOM 0 H SER A 167 -11.733 5.629 3.438 1.00 0.00 H new ATOM 0 HA SER A 167 -10.016 3.703 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.170 2.242 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.122 2.884 4.154 1.00 0.00 H new ATOM 0 HG SER A 167 -13.359 3.336 4.565 1.00 0.00 H new ATOM 509 N PHE A 168 -12.944 4.010 0.772 1.00 0.00 N ATOM 510 CA PHE A 168 -13.626 3.802 -0.499 1.00 0.00 C ATOM 511 C PHE A 168 -14.559 4.967 -0.815 1.00 0.00 C ATOM 512 O PHE A 168 -14.715 5.885 -0.010 1.00 0.00 O ATOM 513 CB PHE A 168 -14.420 2.494 -0.468 1.00 0.00 C ATOM 514 CG PHE A 168 -15.498 2.471 0.577 1.00 0.00 C ATOM 515 CD1 PHE A 168 -16.747 3.011 0.315 1.00 0.00 C ATOM 516 CD2 PHE A 168 -15.263 1.909 1.821 1.00 0.00 C ATOM 517 CE1 PHE A 168 -17.740 2.993 1.275 1.00 0.00 C ATOM 518 CE2 PHE A 168 -16.252 1.887 2.786 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.493 2.429 2.512 1.00 0.00 C ATOM 0 H PHE A 168 -13.538 4.381 1.514 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.870 3.743 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.870 2.329 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.734 1.666 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -16.946 3.451 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -14.295 1.483 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -18.708 3.419 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -16.055 1.447 3.752 1.00 0.00 H new ATOM 0 HZ PHE A 168 -18.269 2.412 3.263 1.00 0.00 H new ATOM 529 N VAL A 169 -15.175 4.923 -1.993 1.00 0.00 N ATOM 530 CA VAL A 169 -16.093 5.973 -2.415 1.00 0.00 C ATOM 531 C VAL A 169 -17.284 5.392 -3.167 1.00 0.00 C ATOM 532 O VAL A 169 -17.130 4.501 -4.002 1.00 0.00 O ATOM 533 CB VAL A 169 -15.388 7.006 -3.314 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.378 7.813 -2.511 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.717 6.319 -4.493 1.00 0.00 C ATOM 0 H VAL A 169 -15.054 4.171 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.445 6.468 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.139 7.693 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -13.890 8.537 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -14.890 8.338 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.629 7.142 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.224 7.065 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -13.978 5.607 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.467 5.792 -5.082 1.00 0.00 H new ATOM 545 N VAL A 170 -18.475 5.902 -2.866 1.00 0.00 N ATOM 546 CA VAL A 170 -19.692 5.433 -3.515 1.00 0.00 C ATOM 547 C VAL A 170 -19.870 6.083 -4.884 1.00 0.00 C ATOM 548 O VAL A 170 -20.770 6.899 -5.086 1.00 0.00 O ATOM 549 CB VAL A 170 -20.936 5.723 -2.654 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.167 5.059 -3.252 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.713 5.259 -1.222 1.00 0.00 C ATOM 0 H VAL A 170 -18.622 6.640 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.590 4.355 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.104 6.800 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.035 5.275 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.336 5.444 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.013 3.981 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.602 5.472 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.519 4.186 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.858 5.786 -0.798 1.00 0.00 H new ATOM 561 N LEU A 171 -19.003 5.716 -5.824 1.00 0.00 N ATOM 562 CA LEU A 171 -19.063 6.263 -7.175 1.00 0.00 C ATOM 563 C LEU A 171 -20.415 5.974 -7.820 1.00 0.00 C ATOM 564 O LEU A 171 -21.337 5.493 -7.160 1.00 0.00 O ATOM 565 CB LEU A 171 -17.937 5.681 -8.031 1.00 0.00 C ATOM 566 CG LEU A 171 -17.329 6.651 -9.047 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.982 7.164 -8.558 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.183 5.982 -10.407 1.00 0.00 C ATOM 0 H LEU A 171 -18.252 5.043 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.938 7.344 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.145 5.327 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.320 4.811 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.003 7.501 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.566 7.852 -9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.113 7.684 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.301 6.324 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.749 6.688 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.532 5.112 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.163 5.666 -10.764 1.00 0.00 H new ATOM 580 N ASP A 172 -20.529 6.270 -9.112 1.00 0.00 N ATOM 581 CA ASP A 172 -21.770 6.044 -9.845 1.00 0.00 C ATOM 582 C ASP A 172 -22.205 4.585 -9.753 1.00 0.00 C ATOM 583 O ASP A 172 -21.850 3.767 -10.601 1.00 0.00 O ATOM 584 CB ASP A 172 -21.600 6.444 -11.312 1.00 0.00 C ATOM 585 CG ASP A 172 -22.928 6.600 -12.027 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.727 5.641 -12.009 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.169 7.682 -12.605 1.00 0.00 O ATOM 0 H ASP A 172 -19.776 6.667 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.545 6.662 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.048 7.382 -11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.001 5.691 -11.824 1.00 0.00 H new ATOM 592 N GLY A 173 -22.980 4.267 -8.719 1.00 0.00 N ATOM 593 CA GLY A 173 -23.454 2.908 -8.535 1.00 0.00 C ATOM 594 C GLY A 173 -22.327 1.891 -8.527 1.00 0.00 C ATOM 595 O GLY A 173 -22.508 0.750 -8.952 1.00 0.00 O ATOM 0 H GLY A 173 -23.288 4.928 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.003 2.843 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.155 2.661 -9.332 1.00 0.00 H new ATOM 599 N GLU A 174 -21.161 2.306 -8.041 1.00 0.00 N ATOM 600 CA GLU A 174 -20.004 1.422 -7.981 1.00 0.00 C ATOM 601 C GLU A 174 -18.985 1.926 -6.964 1.00 0.00 C ATOM 602 O GLU A 174 -18.489 3.048 -7.069 1.00 0.00 O ATOM 603 CB GLU A 174 -19.350 1.309 -9.360 1.00 0.00 C ATOM 604 CG GLU A 174 -20.160 0.492 -10.352 1.00 0.00 C ATOM 605 CD GLU A 174 -19.380 0.162 -11.611 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.662 1.052 -12.113 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.488 -0.985 -12.093 1.00 0.00 O ATOM 0 H GLU A 174 -20.993 3.247 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.348 0.437 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.199 2.310 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.364 0.857 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.483 -0.434 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -21.061 1.043 -10.621 1.00 0.00 H new ATOM 614 N ASN A 175 -18.674 1.087 -5.981 1.00 0.00 N ATOM 615 CA ASN A 175 -17.711 1.445 -4.947 1.00 0.00 C ATOM 616 C ASN A 175 -16.284 1.245 -5.443 1.00 0.00 C ATOM 617 O ASN A 175 -15.765 0.129 -5.441 1.00 0.00 O ATOM 618 CB ASN A 175 -17.948 0.609 -3.688 1.00 0.00 C ATOM 619 CG ASN A 175 -19.367 0.737 -3.166 1.00 0.00 C ATOM 620 OD1 ASN A 175 -20.299 0.996 -3.927 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.535 0.556 -1.862 1.00 0.00 N ATOM 0 H ASN A 175 -19.075 0.155 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.849 2.499 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.737 -0.438 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.249 0.920 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.466 0.630 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -18.733 0.343 -1.269 1.00 0.00 H new ATOM 628 N LYS A 176 -15.654 2.334 -5.874 1.00 0.00 N ATOM 629 CA LYS A 176 -14.287 2.277 -6.377 1.00 0.00 C ATOM 630 C LYS A 176 -13.292 2.719 -5.310 1.00 0.00 C ATOM 631 O LYS A 176 -13.613 3.533 -4.444 1.00 0.00 O ATOM 632 CB LYS A 176 -14.143 3.157 -7.621 1.00 0.00 C ATOM 633 CG LYS A 176 -15.246 2.947 -8.647 1.00 0.00 C ATOM 634 CD LYS A 176 -14.776 2.074 -9.800 1.00 0.00 C ATOM 635 CE LYS A 176 -14.030 2.887 -10.846 1.00 0.00 C ATOM 636 NZ LYS A 176 -13.243 2.020 -11.765 1.00 0.00 N ATOM 0 H LYS A 176 -16.069 3.266 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.068 1.243 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.136 4.204 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.180 2.955 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -16.108 2.484 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.576 3.912 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.127 1.285 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -15.634 1.586 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.742 3.476 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -13.362 3.591 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -12.548 2.599 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -12.746 1.291 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -13.884 1.563 -12.445 1.00 0.00 H new ATOM 650 N ARG A 177 -12.080 2.177 -5.381 1.00 0.00 N ATOM 651 CA ARG A 177 -11.033 2.514 -4.423 1.00 0.00 C ATOM 652 C ARG A 177 -9.894 3.261 -5.111 1.00 0.00 C ATOM 653 O ARG A 177 -9.521 2.940 -6.239 1.00 0.00 O ATOM 654 CB ARG A 177 -10.499 1.247 -3.753 1.00 0.00 C ATOM 655 CG ARG A 177 -11.591 0.310 -3.263 1.00 0.00 C ATOM 656 CD ARG A 177 -11.747 0.372 -1.752 1.00 0.00 C ATOM 657 NE ARG A 177 -11.176 -0.801 -1.094 1.00 0.00 N ATOM 658 CZ ARG A 177 -11.244 -1.024 0.217 1.00 0.00 C ATOM 659 NH1 ARG A 177 -11.858 -0.158 1.013 1.00 0.00 N ATOM 660 NH2 ARG A 177 -10.696 -2.116 0.733 1.00 0.00 N ATOM 0 H ARG A 177 -11.799 1.502 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.463 3.163 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -9.864 0.713 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.869 1.530 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -12.536 0.573 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -11.356 -0.711 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -11.262 1.272 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -12.804 0.450 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 177 -10.697 -1.490 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -12.281 0.684 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -11.907 -0.334 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -10.223 -2.785 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -10.748 -2.287 1.737 1.00 0.00 H new ATOM 674 N TYR A 178 -9.348 4.260 -4.425 1.00 0.00 N ATOM 675 CA TYR A 178 -8.253 5.053 -4.974 1.00 0.00 C ATOM 676 C TYR A 178 -6.967 4.236 -5.050 1.00 0.00 C ATOM 677 O TYR A 178 -6.287 4.034 -4.043 1.00 0.00 O ATOM 678 CB TYR A 178 -8.029 6.305 -4.123 1.00 0.00 C ATOM 679 CG TYR A 178 -6.967 7.227 -4.675 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.275 8.166 -5.652 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.655 7.158 -4.222 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.306 9.010 -6.160 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.681 7.998 -4.726 1.00 0.00 C ATOM 684 CZ TYR A 178 -5.012 8.923 -5.695 1.00 0.00 C ATOM 685 OH TYR A 178 -4.042 9.761 -6.199 1.00 0.00 O ATOM 0 H TYR A 178 -9.645 4.539 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.527 5.352 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.968 6.853 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.748 6.003 -3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.288 8.237 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.393 6.436 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.562 9.735 -6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.666 7.931 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.438 10.033 -5.477 1.00 0.00 H new ATOM 695 N CYS A 179 -6.639 3.772 -6.251 1.00 0.00 N ATOM 696 CA CYS A 179 -5.432 2.980 -6.464 1.00 0.00 C ATOM 697 C CYS A 179 -4.186 3.850 -6.336 1.00 0.00 C ATOM 698 O CYS A 179 -3.920 4.697 -7.187 1.00 0.00 O ATOM 699 CB CYS A 179 -5.470 2.319 -7.845 1.00 0.00 C ATOM 700 SG CYS A 179 -4.156 1.110 -8.122 1.00 0.00 S ATOM 0 H CYS A 179 -7.192 3.931 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.392 2.204 -5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.434 1.827 -7.974 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.403 3.094 -8.609 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.690 1.244 -9.328 1.00 0.00 H new ATOM 705 N GLN A 180 -3.428 3.638 -5.268 1.00 0.00 N ATOM 706 CA GLN A 180 -2.211 4.408 -5.027 1.00 0.00 C ATOM 707 C GLN A 180 -1.100 4.025 -6.006 1.00 0.00 C ATOM 708 O GLN A 180 -0.068 4.695 -6.074 1.00 0.00 O ATOM 709 CB GLN A 180 -1.730 4.201 -3.591 1.00 0.00 C ATOM 710 CG GLN A 180 -2.573 4.926 -2.554 1.00 0.00 C ATOM 711 CD GLN A 180 -1.742 5.782 -1.619 1.00 0.00 C ATOM 712 OE1 GLN A 180 -0.750 6.385 -2.029 1.00 0.00 O ATOM 713 NE2 GLN A 180 -2.144 5.841 -0.354 1.00 0.00 N ATOM 0 H GLN A 180 -3.633 2.939 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.450 5.460 -5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.732 3.134 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.698 4.542 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -3.305 5.555 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.132 4.195 -1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -2.972 5.325 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -1.624 6.402 0.321 1.00 0.00 H new ATOM 722 N GLN A 181 -1.308 2.946 -6.755 1.00 0.00 N ATOM 723 CA GLN A 181 -0.314 2.485 -7.718 1.00 0.00 C ATOM 724 C GLN A 181 -0.539 3.104 -9.094 1.00 0.00 C ATOM 725 O GLN A 181 0.399 3.248 -9.879 1.00 0.00 O ATOM 726 CB GLN A 181 -0.346 0.959 -7.823 1.00 0.00 C ATOM 727 CG GLN A 181 0.694 0.390 -8.773 1.00 0.00 C ATOM 728 CD GLN A 181 1.314 -0.893 -8.259 1.00 0.00 C ATOM 729 OE1 GLN A 181 0.737 -1.972 -8.391 1.00 0.00 O ATOM 730 NE2 GLN A 181 2.500 -0.783 -7.668 1.00 0.00 N ATOM 0 H GLN A 181 -2.153 2.376 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 181 0.665 2.803 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -0.192 0.532 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.337 0.647 -8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 181 0.231 0.203 -9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.479 1.130 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 181 2.943 0.132 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 181 2.967 -1.613 -7.303 1.00 0.00 H new ATOM 739 N CYS A 182 -1.785 3.463 -9.388 1.00 0.00 N ATOM 740 CA CYS A 182 -2.121 4.060 -10.677 1.00 0.00 C ATOM 741 C CYS A 182 -2.626 5.491 -10.518 1.00 0.00 C ATOM 742 O CYS A 182 -2.537 6.297 -11.445 1.00 0.00 O ATOM 743 CB CYS A 182 -3.180 3.217 -11.388 1.00 0.00 C ATOM 744 SG CYS A 182 -2.662 1.526 -11.750 1.00 0.00 S ATOM 0 H CYS A 182 -2.576 3.352 -8.754 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.211 4.086 -11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.078 3.185 -10.770 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.453 3.709 -12.322 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.687 0.731 -11.668 1.00 0.00 H new ATOM 749 N GLY A 183 -3.162 5.804 -9.344 1.00 0.00 N ATOM 750 CA GLY A 183 -3.677 7.137 -9.095 1.00 0.00 C ATOM 751 C GLY A 183 -5.165 7.240 -9.365 1.00 0.00 C ATOM 752 O GLY A 183 -5.891 7.914 -8.633 1.00 0.00 O ATOM 0 H GLY A 183 -3.249 5.158 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.478 7.413 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.146 7.852 -9.723 1.00 0.00 H new ATOM 756 N LYS A 184 -5.620 6.570 -10.420 1.00 0.00 N ATOM 757 CA LYS A 184 -7.032 6.588 -10.785 1.00 0.00 C ATOM 758 C LYS A 184 -7.854 5.740 -9.821 1.00 0.00 C ATOM 759 O LYS A 184 -7.351 5.288 -8.792 1.00 0.00 O ATOM 760 CB LYS A 184 -7.215 6.077 -12.216 1.00 0.00 C ATOM 761 CG LYS A 184 -6.286 6.735 -13.223 1.00 0.00 C ATOM 762 CD LYS A 184 -6.833 8.070 -13.696 1.00 0.00 C ATOM 763 CE LYS A 184 -7.881 7.891 -14.782 1.00 0.00 C ATOM 764 NZ LYS A 184 -7.272 7.823 -16.138 1.00 0.00 N ATOM 0 H LYS A 184 -5.032 6.009 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.385 7.618 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -7.049 5.000 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.247 6.245 -12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.305 6.882 -12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.148 6.074 -14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.270 8.605 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -6.017 8.685 -14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -8.447 6.979 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -8.588 8.719 -14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -8.021 7.701 -16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.753 8.703 -16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -6.616 7.017 -16.184 1.00 0.00 H new ATOM 778 N PHE A 185 -9.122 5.525 -10.160 1.00 0.00 N ATOM 779 CA PHE A 185 -10.015 4.730 -9.323 1.00 0.00 C ATOM 780 C PHE A 185 -10.156 3.313 -9.872 1.00 0.00 C ATOM 781 O PHE A 185 -10.052 3.091 -11.079 1.00 0.00 O ATOM 782 CB PHE A 185 -11.389 5.394 -9.234 1.00 0.00 C ATOM 783 CG PHE A 185 -11.390 6.676 -8.450 1.00 0.00 C ATOM 784 CD1 PHE A 185 -10.885 6.715 -7.160 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.898 7.841 -9.003 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.886 7.893 -6.436 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.903 9.021 -8.284 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.396 9.047 -6.999 1.00 0.00 C ATOM 0 H PHE A 185 -9.554 5.890 -11.009 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.582 4.672 -8.324 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.752 5.594 -10.242 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.091 4.697 -8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.486 5.815 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.295 7.826 -10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.489 7.911 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.303 9.922 -8.726 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.398 9.968 -6.435 1.00 0.00 H new ATOM 798 N HIS A 186 -10.396 2.358 -8.978 1.00 0.00 N ATOM 799 CA HIS A 186 -10.555 0.964 -9.376 1.00 0.00 C ATOM 800 C HIS A 186 -11.725 0.319 -8.640 1.00 0.00 C ATOM 801 O HIS A 186 -12.098 0.749 -7.550 1.00 0.00 O ATOM 802 CB HIS A 186 -9.269 0.181 -9.100 1.00 0.00 C ATOM 803 CG HIS A 186 -8.170 0.475 -10.075 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.397 1.020 -11.322 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.829 0.304 -9.980 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.245 1.170 -11.951 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.280 0.745 -11.158 1.00 0.00 N ATOM 0 H HIS A 186 -10.484 2.524 -7.975 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.763 0.939 -10.446 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.922 0.411 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.490 -0.886 -9.125 1.00 0.00 H new ATOM 0 HD1 HIS A 186 -9.312 1.268 -11.699 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.293 -0.103 -9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.115 1.572 -12.945 1.00 0.00 H new ATOM 815 N LEU A 187 -12.301 -0.715 -9.246 1.00 0.00 N ATOM 816 CA LEU A 187 -13.431 -1.418 -8.650 1.00 0.00 C ATOM 817 C LEU A 187 -13.008 -2.169 -7.391 1.00 0.00 C ATOM 818 O LEU A 187 -11.875 -2.639 -7.286 1.00 0.00 O ATOM 819 CB LEU A 187 -14.043 -2.391 -9.662 1.00 0.00 C ATOM 820 CG LEU A 187 -15.569 -2.348 -9.758 1.00 0.00 C ATOM 821 CD1 LEU A 187 -16.024 -1.075 -10.455 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.093 -3.576 -10.490 1.00 0.00 C ATOM 0 H LEU A 187 -12.004 -1.084 -10.149 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.180 -0.677 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.626 -2.178 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.739 -3.404 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.978 -2.351 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -17.112 -1.062 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.681 -0.208 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.605 -1.041 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.180 -3.528 -10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.676 -3.605 -11.497 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.798 -4.475 -9.949 1.00 0.00 H new ATOM 834 N LEU A 188 -13.928 -2.277 -6.439 1.00 0.00 N ATOM 835 CA LEU A 188 -13.656 -2.970 -5.185 1.00 0.00 C ATOM 836 C LEU A 188 -13.503 -4.484 -5.385 1.00 0.00 C ATOM 837 O LEU A 188 -12.651 -5.104 -4.748 1.00 0.00 O ATOM 838 CB LEU A 188 -14.762 -2.680 -4.164 1.00 0.00 C ATOM 839 CG LEU A 188 -14.290 -1.991 -2.882 1.00 0.00 C ATOM 840 CD1 LEU A 188 -15.354 -1.033 -2.369 1.00 0.00 C ATOM 841 CD2 LEU A 188 -13.942 -3.023 -1.821 1.00 0.00 C ATOM 0 H LEU A 188 -14.870 -1.893 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.707 -2.592 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.519 -2.055 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.246 -3.620 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.392 -1.416 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -15.001 -0.552 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -15.555 -0.274 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -16.269 -1.586 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -13.608 -2.516 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -14.823 -3.625 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -13.145 -3.669 -2.190 1.00 0.00 H new ATOM 853 N PRO A 189 -14.316 -5.114 -6.262 1.00 0.00 N ATOM 854 CA PRO A 189 -14.228 -6.560 -6.499 1.00 0.00 C ATOM 855 C PRO A 189 -12.952 -6.959 -7.238 1.00 0.00 C ATOM 856 O PRO A 189 -12.653 -8.146 -7.375 1.00 0.00 O ATOM 857 CB PRO A 189 -15.459 -6.863 -7.353 1.00 0.00 C ATOM 858 CG PRO A 189 -15.771 -5.580 -8.040 1.00 0.00 C ATOM 859 CD PRO A 189 -15.376 -4.489 -7.083 1.00 0.00 C ATOM 0 HA PRO A 189 -14.196 -7.118 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.256 -7.657 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.295 -7.196 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.220 -5.495 -8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.831 -5.517 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.009 -3.608 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.219 -4.167 -6.472 1.00 0.00 H new ATOM 867 N ASP A 190 -12.200 -5.967 -7.710 1.00 0.00 N ATOM 868 CA ASP A 190 -10.958 -6.230 -8.428 1.00 0.00 C ATOM 869 C ASP A 190 -9.756 -6.137 -7.492 1.00 0.00 C ATOM 870 O ASP A 190 -8.635 -5.876 -7.930 1.00 0.00 O ATOM 871 CB ASP A 190 -10.795 -5.240 -9.584 1.00 0.00 C ATOM 872 CG ASP A 190 -11.604 -5.637 -10.803 1.00 0.00 C ATOM 873 OD1 ASP A 190 -12.721 -6.167 -10.627 1.00 0.00 O ATOM 874 OD2 ASP A 190 -11.120 -5.419 -11.934 1.00 0.00 O ATOM 0 H ASP A 190 -12.429 -4.978 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.006 -7.243 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -11.102 -4.247 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -9.742 -5.174 -9.856 1.00 0.00 H new