USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 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 -138:sc= -0.337 USER MOD Set 1.2: A 182 CYS SG : rot -170:sc= 0.0455 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -2.05 K(o=-2.3,f=-1) USER MOD Set 2.1: A 138 CYS SG : rot -98:sc= -4.02! 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= -0.235 USER MOD Set 2.4: A 163 CYS SG : rot 146:sc= -2.52! USER MOD Single : A 139 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.4) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 154 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-3.6!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.79) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 TYR OH : rot 117:sc= 1.08 USER MOD Single : A 180 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.7!) 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 -7.881 20.577 -11.624 1.00 0.00 N ATOM 18 CA ALA A 136 -8.129 19.578 -10.590 1.00 0.00 C ATOM 19 C ALA A 136 -9.560 19.666 -10.075 1.00 0.00 C ATOM 20 O ALA A 136 -9.992 20.712 -9.590 1.00 0.00 O ATOM 21 CB ALA A 136 -7.140 19.748 -9.446 1.00 0.00 C ATOM 0 HA ALA A 136 -7.991 18.591 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.336 18.997 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.124 19.627 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.251 20.743 -9.014 1.00 0.00 H new ATOM 27 N ARG A 137 -10.291 18.562 -10.183 1.00 0.00 N ATOM 28 CA ARG A 137 -11.677 18.516 -9.728 1.00 0.00 C ATOM 29 C ARG A 137 -12.129 17.076 -9.505 1.00 0.00 C ATOM 30 O ARG A 137 -12.146 16.270 -10.435 1.00 0.00 O ATOM 31 CB ARG A 137 -12.590 19.202 -10.749 1.00 0.00 C ATOM 32 CG ARG A 137 -14.075 19.007 -10.474 1.00 0.00 C ATOM 33 CD ARG A 137 -14.936 19.716 -11.509 1.00 0.00 C ATOM 34 NE ARG A 137 -14.573 21.123 -11.653 1.00 0.00 N ATOM 35 CZ ARG A 137 -13.661 21.575 -12.512 1.00 0.00 C ATOM 36 NH1 ARG A 137 -13.006 20.734 -13.305 1.00 0.00 N ATOM 37 NH2 ARG A 137 -13.403 22.874 -12.580 1.00 0.00 N ATOM 0 H ARG A 137 -9.948 17.688 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.742 19.046 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.369 20.269 -10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.361 18.818 -11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.308 17.942 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.314 19.386 -9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.832 19.215 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.985 19.640 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.048 21.802 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.200 19.734 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.309 21.089 -13.960 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.903 23.526 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.705 23.222 -13.237 1.00 0.00 H new ATOM 51 N CYS A 138 -12.508 16.759 -8.270 1.00 0.00 N ATOM 52 CA CYS A 138 -12.972 15.417 -7.941 1.00 0.00 C ATOM 53 C CYS A 138 -14.258 15.109 -8.701 1.00 0.00 C ATOM 54 O CYS A 138 -15.341 15.550 -8.314 1.00 0.00 O ATOM 55 CB CYS A 138 -13.199 15.284 -6.433 1.00 0.00 C ATOM 56 SG CYS A 138 -13.389 13.578 -5.866 1.00 0.00 S ATOM 0 H CYS A 138 -12.503 17.410 -7.485 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.207 14.699 -8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.359 15.739 -5.908 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.090 15.849 -6.159 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.653 13.303 -5.735 1.00 0.00 H new ATOM 61 N GLN A 139 -14.123 14.371 -9.799 1.00 0.00 N ATOM 62 CA GLN A 139 -15.264 14.022 -10.641 1.00 0.00 C ATOM 63 C GLN A 139 -15.968 12.748 -10.170 1.00 0.00 C ATOM 64 O GLN A 139 -16.383 11.926 -10.986 1.00 0.00 O ATOM 65 CB GLN A 139 -14.812 13.852 -12.094 1.00 0.00 C ATOM 66 CG GLN A 139 -13.741 12.788 -12.282 1.00 0.00 C ATOM 67 CD GLN A 139 -14.313 11.449 -12.701 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.227 11.382 -13.523 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.777 10.373 -12.137 1.00 0.00 N ATOM 0 H GLN A 139 -13.231 14.002 -10.128 1.00 0.00 H new ATOM 0 HA GLN A 139 -15.980 14.841 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.677 13.596 -12.706 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.432 14.806 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.028 13.125 -13.034 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.188 12.667 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.021 10.475 -11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.122 9.444 -12.381 1.00 0.00 H new ATOM 78 N VAL A 140 -16.121 12.593 -8.859 1.00 0.00 N ATOM 79 CA VAL A 140 -16.796 11.422 -8.315 1.00 0.00 C ATOM 80 C VAL A 140 -18.295 11.693 -8.174 1.00 0.00 C ATOM 81 O VAL A 140 -18.693 12.671 -7.543 1.00 0.00 O ATOM 82 CB VAL A 140 -16.218 11.018 -6.946 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.807 9.692 -6.483 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.701 10.941 -7.012 1.00 0.00 C ATOM 0 H VAL A 140 -15.790 13.257 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.634 10.599 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.491 11.782 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.385 9.425 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.889 9.786 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.569 8.915 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.308 10.654 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.406 10.199 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.299 11.914 -7.293 1.00 0.00 H new ATOM 94 N PRO A 141 -19.152 10.841 -8.766 1.00 0.00 N ATOM 95 CA PRO A 141 -20.606 11.011 -8.703 1.00 0.00 C ATOM 96 C PRO A 141 -21.098 11.321 -7.292 1.00 0.00 C ATOM 97 O PRO A 141 -21.809 12.302 -7.074 1.00 0.00 O ATOM 98 CB PRO A 141 -21.163 9.662 -9.188 1.00 0.00 C ATOM 99 CG PRO A 141 -19.981 8.761 -9.360 1.00 0.00 C ATOM 100 CD PRO A 141 -18.788 9.654 -9.547 1.00 0.00 C ATOM 0 HA PRO A 141 -20.935 11.856 -9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.866 9.248 -8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.704 9.779 -10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.852 8.119 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.114 8.106 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -17.873 9.191 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.622 9.895 -10.597 1.00 0.00 H new ATOM 108 N ASP A 142 -20.719 10.479 -6.338 1.00 0.00 N ATOM 109 CA ASP A 142 -21.125 10.668 -4.949 1.00 0.00 C ATOM 110 C ASP A 142 -20.366 11.825 -4.304 1.00 0.00 C ATOM 111 O ASP A 142 -20.842 12.429 -3.343 1.00 0.00 O ATOM 112 CB ASP A 142 -20.893 9.384 -4.150 1.00 0.00 C ATOM 113 CG ASP A 142 -19.492 8.836 -4.329 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.102 8.568 -5.486 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.782 8.675 -3.313 1.00 0.00 O ATOM 0 H ASP A 142 -20.132 9.660 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.188 10.910 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.071 9.580 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.617 8.631 -4.460 1.00 0.00 H new ATOM 120 N CYS A 143 -19.184 12.129 -4.833 1.00 0.00 N ATOM 121 CA CYS A 143 -18.366 13.214 -4.297 1.00 0.00 C ATOM 122 C CYS A 143 -17.948 14.186 -5.397 1.00 0.00 C ATOM 123 O CYS A 143 -16.997 13.932 -6.139 1.00 0.00 O ATOM 124 CB CYS A 143 -17.127 12.649 -3.597 1.00 0.00 C ATOM 125 SG CYS A 143 -16.046 13.908 -2.877 1.00 0.00 S ATOM 0 H CYS A 143 -18.772 11.642 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.968 13.761 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.447 11.967 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.554 12.061 -4.314 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.029 13.332 -2.307 1.00 0.00 H new ATOM 130 N GLU A 144 -18.661 15.304 -5.490 1.00 0.00 N ATOM 131 CA GLU A 144 -18.361 16.324 -6.491 1.00 0.00 C ATOM 132 C GLU A 144 -17.585 17.474 -5.860 1.00 0.00 C ATOM 133 O GLU A 144 -18.160 18.501 -5.502 1.00 0.00 O ATOM 134 CB GLU A 144 -19.653 16.846 -7.124 1.00 0.00 C ATOM 135 CG GLU A 144 -19.435 17.566 -8.444 1.00 0.00 C ATOM 136 CD GLU A 144 -20.694 18.233 -8.960 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.462 17.571 -9.690 1.00 0.00 O ATOM 138 OE2 GLU A 144 -20.914 19.418 -8.632 1.00 0.00 O ATOM 0 H GLU A 144 -19.451 15.527 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.747 15.873 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.333 16.010 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -20.142 17.525 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -18.655 18.318 -8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -19.075 16.854 -9.187 1.00 0.00 H new ATOM 145 N ALA A 145 -16.278 17.288 -5.718 1.00 0.00 N ATOM 146 CA ALA A 145 -15.421 18.304 -5.119 1.00 0.00 C ATOM 147 C ALA A 145 -14.868 19.262 -6.167 1.00 0.00 C ATOM 148 O ALA A 145 -14.532 18.855 -7.280 1.00 0.00 O ATOM 149 CB ALA A 145 -14.283 17.645 -4.352 1.00 0.00 C ATOM 0 H ALA A 145 -15.788 16.442 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.029 18.887 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.650 18.414 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.693 17.014 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.690 17.035 -5.034 1.00 0.00 H new ATOM 155 N ASP A 146 -14.769 20.536 -5.798 1.00 0.00 N ATOM 156 CA ASP A 146 -14.250 21.557 -6.699 1.00 0.00 C ATOM 157 C ASP A 146 -12.825 21.942 -6.312 1.00 0.00 C ATOM 158 O ASP A 146 -12.483 23.123 -6.250 1.00 0.00 O ATOM 159 CB ASP A 146 -15.151 22.793 -6.678 1.00 0.00 C ATOM 160 CG ASP A 146 -14.945 23.681 -7.890 1.00 0.00 C ATOM 161 OD1 ASP A 146 -13.831 24.221 -8.047 1.00 0.00 O ATOM 162 OD2 ASP A 146 -15.897 23.833 -8.684 1.00 0.00 O ATOM 0 H ASP A 146 -15.042 20.885 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 146 -14.237 21.147 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -16.194 22.478 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.954 23.367 -5.773 1.00 0.00 H new ATOM 167 N ILE A 147 -11.999 20.934 -6.049 1.00 0.00 N ATOM 168 CA ILE A 147 -10.610 21.158 -5.664 1.00 0.00 C ATOM 169 C ILE A 147 -9.800 21.734 -6.824 1.00 0.00 C ATOM 170 O ILE A 147 -8.932 21.060 -7.382 1.00 0.00 O ATOM 171 CB ILE A 147 -9.944 19.850 -5.188 1.00 0.00 C ATOM 172 CG1 ILE A 147 -10.106 18.755 -6.244 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.538 19.409 -3.858 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.790 18.201 -6.747 1.00 0.00 C ATOM 0 H ILE A 147 -12.269 19.951 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.621 21.875 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.879 20.031 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.697 17.941 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -10.669 19.155 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -10.059 18.485 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.373 20.185 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.609 19.241 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.981 17.429 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -8.206 19.004 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.234 17.771 -5.914 1.00 0.00 H new ATOM 186 N SER A 148 -10.083 22.982 -7.185 1.00 0.00 N ATOM 187 CA SER A 148 -9.376 23.639 -8.279 1.00 0.00 C ATOM 188 C SER A 148 -8.201 24.463 -7.757 1.00 0.00 C ATOM 189 O SER A 148 -7.822 25.469 -8.357 1.00 0.00 O ATOM 190 CB SER A 148 -10.333 24.537 -9.066 1.00 0.00 C ATOM 191 OG SER A 148 -10.733 25.657 -8.294 1.00 0.00 O ATOM 0 H SER A 148 -10.796 23.558 -6.737 1.00 0.00 H new ATOM 0 HA SER A 148 -8.986 22.865 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 148 -9.848 24.877 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 148 -11.211 23.965 -9.364 1.00 0.00 H new ATOM 0 HG SER A 148 -11.343 26.216 -8.820 1.00 0.00 H new ATOM 197 N GLU A 149 -7.626 24.030 -6.638 1.00 0.00 N ATOM 198 CA GLU A 149 -6.493 24.728 -6.040 1.00 0.00 C ATOM 199 C GLU A 149 -5.725 23.809 -5.094 1.00 0.00 C ATOM 200 O GLU A 149 -5.124 24.267 -4.122 1.00 0.00 O ATOM 201 CB GLU A 149 -6.974 25.969 -5.285 1.00 0.00 C ATOM 202 CG GLU A 149 -5.857 26.946 -4.954 1.00 0.00 C ATOM 203 CD GLU A 149 -6.066 27.639 -3.622 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.967 28.500 -3.535 1.00 0.00 O ATOM 205 OE2 GLU A 149 -5.329 27.321 -2.664 1.00 0.00 O ATOM 0 H GLU A 149 -7.926 23.199 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.822 25.036 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.728 26.480 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.459 25.657 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.906 26.413 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -5.789 27.695 -5.743 1.00 0.00 H new ATOM 212 N LEU A 150 -5.750 22.512 -5.385 1.00 0.00 N ATOM 213 CA LEU A 150 -5.057 21.530 -4.559 1.00 0.00 C ATOM 214 C LEU A 150 -3.645 21.280 -5.082 1.00 0.00 C ATOM 215 O LEU A 150 -3.374 21.446 -6.272 1.00 0.00 O ATOM 216 CB LEU A 150 -5.844 20.217 -4.520 1.00 0.00 C ATOM 217 CG LEU A 150 -6.506 19.900 -3.179 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.477 21.001 -2.788 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.219 18.557 -3.242 1.00 0.00 C ATOM 0 H LEU A 150 -6.242 22.117 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.984 21.928 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.615 20.250 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.171 19.400 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.729 19.843 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.938 20.757 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.940 21.946 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.251 21.092 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.685 18.347 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.985 18.588 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.498 17.773 -3.475 1.00 0.00 H new ATOM 231 N LYS A 151 -2.750 20.879 -4.185 1.00 0.00 N ATOM 232 CA LYS A 151 -1.367 20.604 -4.555 1.00 0.00 C ATOM 233 C LYS A 151 -0.943 19.219 -4.075 1.00 0.00 C ATOM 234 O LYS A 151 -1.217 18.835 -2.938 1.00 0.00 O ATOM 235 CB LYS A 151 -0.439 21.667 -3.964 1.00 0.00 C ATOM 236 CG LYS A 151 -0.424 22.967 -4.751 1.00 0.00 C ATOM 237 CD LYS A 151 0.646 23.918 -4.236 1.00 0.00 C ATOM 238 CE LYS A 151 0.122 24.783 -3.101 1.00 0.00 C ATOM 239 NZ LYS A 151 0.806 26.105 -3.048 1.00 0.00 N ATOM 0 H LYS A 151 -2.958 20.737 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.294 20.632 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -0.746 21.876 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.574 21.268 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.246 22.753 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -1.401 23.446 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.507 23.346 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 151 0.991 24.555 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 151 -0.950 24.934 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 151 0.263 24.263 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 0.420 26.664 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 1.826 25.963 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 0.650 26.613 -3.942 1.00 0.00 H new ATOM 253 N GLY A 152 -0.273 18.475 -4.947 1.00 0.00 N ATOM 254 CA GLY A 152 0.178 17.141 -4.592 1.00 0.00 C ATOM 255 C GLY A 152 0.061 16.164 -5.745 1.00 0.00 C ATOM 256 O GLY A 152 0.608 16.397 -6.824 1.00 0.00 O ATOM 0 H GLY A 152 -0.034 18.771 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 152 1.216 17.187 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.408 16.775 -3.749 1.00 0.00 H new ATOM 260 N TYR A 153 -0.652 15.066 -5.517 1.00 0.00 N ATOM 261 CA TYR A 153 -0.839 14.049 -6.545 1.00 0.00 C ATOM 262 C TYR A 153 -2.305 13.950 -6.957 1.00 0.00 C ATOM 263 O TYR A 153 -2.617 13.759 -8.132 1.00 0.00 O ATOM 264 CB TYR A 153 -0.346 12.690 -6.043 1.00 0.00 C ATOM 265 CG TYR A 153 -0.964 12.268 -4.730 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.231 11.700 -4.688 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.281 12.436 -3.531 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.801 11.312 -3.491 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.843 12.049 -2.330 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.102 11.489 -2.315 1.00 0.00 C ATOM 271 OH TYR A 153 -2.665 11.104 -1.120 1.00 0.00 O ATOM 0 H TYR A 153 -1.110 14.858 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.255 14.341 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.563 11.933 -6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.738 12.725 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.780 11.559 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.705 12.876 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.788 10.873 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -0.298 12.185 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.042 11.296 -0.388 1.00 0.00 H new ATOM 281 N HIS A 154 -3.199 14.082 -5.982 1.00 0.00 N ATOM 282 CA HIS A 154 -4.632 14.008 -6.246 1.00 0.00 C ATOM 283 C HIS A 154 -5.074 15.110 -7.208 1.00 0.00 C ATOM 284 O HIS A 154 -6.136 15.020 -7.823 1.00 0.00 O ATOM 285 CB HIS A 154 -5.423 14.108 -4.941 1.00 0.00 C ATOM 286 CG HIS A 154 -4.938 15.186 -4.020 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.535 14.940 -2.724 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.796 16.519 -4.210 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.168 16.076 -2.157 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.316 17.047 -3.037 1.00 0.00 N ATOM 0 H HIS A 154 -2.957 14.240 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.834 13.044 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.472 14.289 -5.176 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.373 13.151 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -5.019 17.065 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.808 16.190 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -4.107 18.032 -2.873 1.00 0.00 H new ATOM 298 N LYS A 155 -4.254 16.151 -7.333 1.00 0.00 N ATOM 299 CA LYS A 155 -4.566 17.266 -8.217 1.00 0.00 C ATOM 300 C LYS A 155 -4.550 16.830 -9.678 1.00 0.00 C ATOM 301 O LYS A 155 -5.397 17.245 -10.471 1.00 0.00 O ATOM 302 CB LYS A 155 -3.570 18.407 -8.002 1.00 0.00 C ATOM 303 CG LYS A 155 -3.836 19.623 -8.874 1.00 0.00 C ATOM 304 CD LYS A 155 -2.573 20.441 -9.090 1.00 0.00 C ATOM 305 CE LYS A 155 -2.794 21.549 -10.106 1.00 0.00 C ATOM 306 NZ LYS A 155 -1.972 22.754 -9.802 1.00 0.00 N ATOM 0 H LYS A 155 -3.370 16.244 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.570 17.616 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.597 18.709 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.563 18.041 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.232 19.302 -9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.599 20.246 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.252 20.874 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -1.769 19.788 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -2.546 21.183 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -3.849 21.823 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -2.152 23.486 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -2.226 23.119 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.964 22.499 -9.813 1.00 0.00 H new ATOM 320 N ARG A 156 -3.578 15.995 -10.033 1.00 0.00 N ATOM 321 CA ARG A 156 -3.449 15.508 -11.403 1.00 0.00 C ATOM 322 C ARG A 156 -4.226 14.209 -11.616 1.00 0.00 C ATOM 323 O ARG A 156 -3.892 13.418 -12.498 1.00 0.00 O ATOM 324 CB ARG A 156 -1.975 15.289 -11.749 1.00 0.00 C ATOM 325 CG ARG A 156 -1.715 15.162 -13.242 1.00 0.00 C ATOM 326 CD ARG A 156 -0.257 15.429 -13.579 1.00 0.00 C ATOM 327 NE ARG A 156 0.228 14.553 -14.642 1.00 0.00 N ATOM 328 CZ ARG A 156 1.314 14.802 -15.371 1.00 0.00 C ATOM 329 NH1 ARG A 156 2.032 15.896 -15.154 1.00 0.00 N ATOM 330 NH2 ARG A 156 1.684 13.951 -16.319 1.00 0.00 N ATOM 0 H ARG A 156 -2.868 15.641 -9.391 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.871 16.267 -12.062 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.390 16.121 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.623 14.387 -11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -1.989 14.161 -13.576 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -2.349 15.864 -13.784 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -0.140 16.469 -13.884 1.00 0.00 H new ATOM 0 HD3 ARG A 156 0.353 15.288 -12.687 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.296 13.700 -14.838 1.00 0.00 H new ATOM 0 HH11 ARG A 156 1.753 16.553 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 156 2.863 16.081 -15.716 1.00 0.00 H new ATOM 0 HH21 ARG A 156 1.137 13.107 -16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 156 2.516 14.141 -16.878 1.00 0.00 H new ATOM 344 N HIS A 157 -5.262 13.992 -10.811 1.00 0.00 N ATOM 345 CA HIS A 157 -6.075 12.786 -10.928 1.00 0.00 C ATOM 346 C HIS A 157 -7.557 13.091 -10.713 1.00 0.00 C ATOM 347 O HIS A 157 -8.357 12.186 -10.482 1.00 0.00 O ATOM 348 CB HIS A 157 -5.610 11.735 -9.919 1.00 0.00 C ATOM 349 CG HIS A 157 -4.308 11.092 -10.283 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.136 10.326 -11.416 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.108 11.104 -9.654 1.00 0.00 C ATOM 352 CE1 HIS A 157 -2.889 9.894 -11.469 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.244 10.352 -10.413 1.00 0.00 N ATOM 0 H HIS A 157 -5.557 14.632 -10.074 1.00 0.00 H new ATOM 0 HA HIS A 157 -5.950 12.397 -11.939 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.514 12.202 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.375 10.964 -9.831 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.874 11.610 -8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.469 9.272 -12.245 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.263 10.176 -10.195 1.00 0.00 H new ATOM 361 N ARG A 158 -7.918 14.372 -10.792 1.00 0.00 N ATOM 362 CA ARG A 158 -9.305 14.791 -10.607 1.00 0.00 C ATOM 363 C ARG A 158 -9.921 14.141 -9.370 1.00 0.00 C ATOM 364 O ARG A 158 -10.892 13.388 -9.466 1.00 0.00 O ATOM 365 CB ARG A 158 -10.130 14.453 -11.852 1.00 0.00 C ATOM 366 CG ARG A 158 -10.334 15.636 -12.784 1.00 0.00 C ATOM 367 CD ARG A 158 -10.486 15.188 -14.229 1.00 0.00 C ATOM 368 NE ARG A 158 -10.525 16.322 -15.151 1.00 0.00 N ATOM 369 CZ ARG A 158 -10.808 16.213 -16.448 1.00 0.00 C ATOM 370 NH1 ARG A 158 -11.076 15.027 -16.979 1.00 0.00 N ATOM 371 NH2 ARG A 158 -10.823 17.295 -17.214 1.00 0.00 N ATOM 0 H ARG A 158 -7.269 15.136 -10.983 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.314 15.871 -10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.635 13.651 -12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.103 14.074 -11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -11.221 16.192 -12.479 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.487 16.317 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -9.657 14.533 -14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -11.400 14.604 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 158 -10.324 17.250 -14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -11.066 14.192 -16.393 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -11.292 14.950 -17.973 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -10.618 18.209 -16.810 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -11.039 17.214 -18.207 1.00 0.00 H new ATOM 385 N VAL A 159 -9.348 14.437 -8.209 1.00 0.00 N ATOM 386 CA VAL A 159 -9.835 13.886 -6.950 1.00 0.00 C ATOM 387 C VAL A 159 -9.407 14.757 -5.774 1.00 0.00 C ATOM 388 O VAL A 159 -8.331 15.356 -5.794 1.00 0.00 O ATOM 389 CB VAL A 159 -9.327 12.447 -6.732 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.807 12.409 -6.722 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.895 11.864 -5.446 1.00 0.00 C ATOM 0 H VAL A 159 -8.544 15.057 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.923 13.868 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.674 11.832 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.470 11.384 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.428 12.775 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.433 13.040 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.524 10.848 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.585 12.478 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.983 11.848 -5.503 1.00 0.00 H new ATOM 401 N CYS A 160 -10.255 14.830 -4.755 1.00 0.00 N ATOM 402 CA CYS A 160 -9.965 15.632 -3.574 1.00 0.00 C ATOM 403 C CYS A 160 -9.124 14.847 -2.570 1.00 0.00 C ATOM 404 O CYS A 160 -9.123 13.616 -2.574 1.00 0.00 O ATOM 405 CB CYS A 160 -11.268 16.110 -2.924 1.00 0.00 C ATOM 406 SG CYS A 160 -12.194 14.820 -2.057 1.00 0.00 S ATOM 0 H CYS A 160 -11.150 14.342 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.389 16.502 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -11.036 16.908 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.906 16.541 -3.695 1.00 0.00 H new ATOM 0 HG CYS A 160 -13.274 15.331 -1.544 1.00 0.00 H new ATOM 411 N LEU A 161 -8.408 15.570 -1.713 1.00 0.00 N ATOM 412 CA LEU A 161 -7.560 14.946 -0.703 1.00 0.00 C ATOM 413 C LEU A 161 -8.369 14.016 0.197 1.00 0.00 C ATOM 414 O LEU A 161 -7.853 13.017 0.699 1.00 0.00 O ATOM 415 CB LEU A 161 -6.869 16.018 0.143 1.00 0.00 C ATOM 416 CG LEU A 161 -5.991 15.482 1.276 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.757 16.355 1.452 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.782 15.408 2.573 1.00 0.00 C ATOM 0 H LEU A 161 -8.399 16.590 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.805 14.352 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.254 16.635 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.631 16.669 0.571 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.666 14.475 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.144 15.959 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.179 16.359 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.063 17.373 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.142 15.025 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.136 16.404 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.635 14.743 2.441 1.00 0.00 H new ATOM 430 N ARG A 162 -9.639 14.352 0.399 1.00 0.00 N ATOM 431 CA ARG A 162 -10.518 13.547 1.242 1.00 0.00 C ATOM 432 C ARG A 162 -10.645 12.126 0.704 1.00 0.00 C ATOM 433 O ARG A 162 -10.669 11.162 1.471 1.00 0.00 O ATOM 434 CB ARG A 162 -11.901 14.194 1.334 1.00 0.00 C ATOM 435 CG ARG A 162 -12.602 13.944 2.660 1.00 0.00 C ATOM 436 CD ARG A 162 -13.350 15.177 3.139 1.00 0.00 C ATOM 437 NE ARG A 162 -12.442 16.212 3.629 1.00 0.00 N ATOM 438 CZ ARG A 162 -12.847 17.365 4.155 1.00 0.00 C ATOM 439 NH1 ARG A 162 -14.142 17.636 4.262 1.00 0.00 N ATOM 440 NH2 ARG A 162 -11.953 18.250 4.578 1.00 0.00 N ATOM 0 H ARG A 162 -10.083 15.175 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.077 13.498 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.801 15.269 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.525 13.814 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -13.300 13.114 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -11.868 13.649 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.949 15.578 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -14.042 14.896 3.933 1.00 0.00 H new ATOM 0 HE ARG A 162 -11.439 16.040 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -14.833 16.958 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -14.446 18.522 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -10.957 18.046 4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -12.262 19.134 4.981 1.00 0.00 H new ATOM 454 N CYS A 163 -10.727 12.001 -0.616 1.00 0.00 N ATOM 455 CA CYS A 163 -10.853 10.695 -1.254 1.00 0.00 C ATOM 456 C CYS A 163 -9.512 9.969 -1.279 1.00 0.00 C ATOM 457 O CYS A 163 -9.462 8.738 -1.269 1.00 0.00 O ATOM 458 CB CYS A 163 -11.391 10.850 -2.678 1.00 0.00 C ATOM 459 SG CYS A 163 -13.183 11.072 -2.771 1.00 0.00 S ATOM 0 H CYS A 163 -10.709 12.788 -1.265 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.555 10.100 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.905 11.705 -3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.114 9.969 -3.257 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.471 11.866 -3.759 1.00 0.00 H new ATOM 464 N ALA A 164 -8.427 10.736 -1.313 1.00 0.00 N ATOM 465 CA ALA A 164 -7.086 10.163 -1.340 1.00 0.00 C ATOM 466 C ALA A 164 -6.773 9.437 -0.036 1.00 0.00 C ATOM 467 O ALA A 164 -6.023 8.460 -0.024 1.00 0.00 O ATOM 468 CB ALA A 164 -6.055 11.250 -1.601 1.00 0.00 C ATOM 0 H ALA A 164 -8.450 11.756 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.044 9.435 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.058 10.809 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.260 11.723 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.107 11.998 -0.810 1.00 0.00 H new ATOM 474 N THR A 165 -7.351 9.921 1.058 1.00 0.00 N ATOM 475 CA THR A 165 -7.132 9.318 2.368 1.00 0.00 C ATOM 476 C THR A 165 -8.292 8.407 2.756 1.00 0.00 C ATOM 477 O THR A 165 -8.111 7.431 3.482 1.00 0.00 O ATOM 478 CB THR A 165 -6.951 10.392 3.457 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.121 11.214 3.534 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.735 11.259 3.163 1.00 0.00 C ATOM 0 H THR A 165 -7.974 10.728 1.064 1.00 0.00 H new ATOM 0 HA THR A 165 -6.219 8.727 2.295 1.00 0.00 H new ATOM 0 HB THR A 165 -6.798 9.889 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 165 -7.998 11.893 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.626 12.011 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.842 10.635 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.865 11.753 2.200 1.00 0.00 H new ATOM 488 N ALA A 166 -9.485 8.736 2.269 1.00 0.00 N ATOM 489 CA ALA A 166 -10.675 7.947 2.566 1.00 0.00 C ATOM 490 C ALA A 166 -10.500 6.499 2.119 1.00 0.00 C ATOM 491 O ALA A 166 -9.732 6.211 1.202 1.00 0.00 O ATOM 492 CB ALA A 166 -11.896 8.563 1.902 1.00 0.00 C ATOM 0 H ALA A 166 -9.653 9.543 1.668 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.823 7.950 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.777 7.964 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.040 9.577 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.748 8.591 0.822 1.00 0.00 H new ATOM 498 N SER A 167 -11.220 5.593 2.772 1.00 0.00 N ATOM 499 CA SER A 167 -11.145 4.175 2.442 1.00 0.00 C ATOM 500 C SER A 167 -11.683 3.913 1.039 1.00 0.00 C ATOM 501 O SER A 167 -11.037 3.249 0.228 1.00 0.00 O ATOM 502 CB SER A 167 -11.930 3.349 3.463 1.00 0.00 C ATOM 503 OG SER A 167 -11.817 3.904 4.762 1.00 0.00 O ATOM 0 H SER A 167 -11.862 5.816 3.533 1.00 0.00 H new ATOM 0 HA SER A 167 -10.097 3.877 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.980 3.307 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.560 2.324 3.468 1.00 0.00 H new ATOM 0 HG SER A 167 -12.329 3.359 5.396 1.00 0.00 H new ATOM 509 N PHE A 168 -12.871 4.440 0.758 1.00 0.00 N ATOM 510 CA PHE A 168 -13.497 4.264 -0.547 1.00 0.00 C ATOM 511 C PHE A 168 -14.616 5.279 -0.756 1.00 0.00 C ATOM 512 O PHE A 168 -14.906 6.089 0.126 1.00 0.00 O ATOM 513 CB PHE A 168 -14.049 2.844 -0.683 1.00 0.00 C ATOM 514 CG PHE A 168 -15.085 2.500 0.348 1.00 0.00 C ATOM 515 CD1 PHE A 168 -14.712 1.987 1.580 1.00 0.00 C ATOM 516 CD2 PHE A 168 -16.432 2.693 0.085 1.00 0.00 C ATOM 517 CE1 PHE A 168 -15.664 1.670 2.530 1.00 0.00 C ATOM 518 CE2 PHE A 168 -17.388 2.379 1.031 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.003 1.866 2.255 1.00 0.00 C ATOM 0 H PHE A 168 -13.419 4.993 1.417 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.737 4.426 -1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.483 2.726 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.225 2.134 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -13.666 1.833 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -16.737 3.093 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -15.361 1.270 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -18.435 2.534 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 168 -17.749 1.619 2.996 1.00 0.00 H new ATOM 529 N VAL A 169 -15.243 5.229 -1.925 1.00 0.00 N ATOM 530 CA VAL A 169 -16.332 6.143 -2.250 1.00 0.00 C ATOM 531 C VAL A 169 -17.423 5.437 -3.047 1.00 0.00 C ATOM 532 O VAL A 169 -17.139 4.583 -3.886 1.00 0.00 O ATOM 533 CB VAL A 169 -15.826 7.355 -3.054 1.00 0.00 C ATOM 534 CG1 VAL A 169 -15.035 8.298 -2.161 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.988 6.900 -4.242 1.00 0.00 C ATOM 0 H VAL A 169 -15.016 4.564 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.746 6.492 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.690 7.897 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.686 9.148 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.673 8.653 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -14.178 7.770 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.640 7.771 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.130 6.331 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.594 6.272 -4.895 1.00 0.00 H new ATOM 545 N VAL A 170 -18.674 5.801 -2.780 1.00 0.00 N ATOM 546 CA VAL A 170 -19.807 5.203 -3.472 1.00 0.00 C ATOM 547 C VAL A 170 -19.987 5.815 -4.859 1.00 0.00 C ATOM 548 O VAL A 170 -20.900 6.609 -5.086 1.00 0.00 O ATOM 549 CB VAL A 170 -21.113 5.377 -2.671 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.253 4.615 -3.331 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.922 4.923 -1.231 1.00 0.00 C ATOM 0 H VAL A 170 -18.927 6.507 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.592 4.139 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.372 6.436 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.165 4.751 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.406 4.993 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.005 3.555 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.854 5.053 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.636 3.871 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -20.139 5.519 -0.763 1.00 0.00 H new ATOM 561 N LEU A 171 -19.109 5.440 -5.784 1.00 0.00 N ATOM 562 CA LEU A 171 -19.169 5.952 -7.149 1.00 0.00 C ATOM 563 C LEU A 171 -20.532 5.666 -7.779 1.00 0.00 C ATOM 564 O LEU A 171 -21.458 5.228 -7.098 1.00 0.00 O ATOM 565 CB LEU A 171 -18.056 5.331 -7.996 1.00 0.00 C ATOM 566 CG LEU A 171 -17.443 6.263 -9.045 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.097 6.790 -8.571 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.296 5.544 -10.379 1.00 0.00 C ATOM 0 H LEU A 171 -18.347 4.783 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 171 -19.028 7.032 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.264 4.986 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.453 4.451 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.114 7.111 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.677 7.450 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.230 7.344 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.418 5.954 -8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.859 6.222 -11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.648 4.677 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.276 5.218 -10.726 1.00 0.00 H new ATOM 580 N ASP A 172 -20.646 5.922 -9.080 1.00 0.00 N ATOM 581 CA ASP A 172 -21.896 5.698 -9.802 1.00 0.00 C ATOM 582 C ASP A 172 -22.393 4.265 -9.613 1.00 0.00 C ATOM 583 O ASP A 172 -22.057 3.374 -10.392 1.00 0.00 O ATOM 584 CB ASP A 172 -21.707 5.988 -11.292 1.00 0.00 C ATOM 585 CG ASP A 172 -22.986 6.457 -11.956 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.413 7.598 -11.682 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.560 5.684 -12.753 1.00 0.00 O ATOM 0 H ASP A 172 -19.887 6.285 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.644 6.378 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.936 6.749 -11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.350 5.088 -11.792 1.00 0.00 H new ATOM 592 N GLY A 173 -23.195 4.055 -8.574 1.00 0.00 N ATOM 593 CA GLY A 173 -23.728 2.733 -8.300 1.00 0.00 C ATOM 594 C GLY A 173 -22.645 1.674 -8.192 1.00 0.00 C ATOM 595 O GLY A 173 -22.915 0.485 -8.363 1.00 0.00 O ATOM 0 H GLY A 173 -23.486 4.778 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.297 2.761 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.424 2.455 -9.092 1.00 0.00 H new ATOM 599 N GLU A 174 -21.420 2.103 -7.907 1.00 0.00 N ATOM 600 CA GLU A 174 -20.299 1.181 -7.780 1.00 0.00 C ATOM 601 C GLU A 174 -19.280 1.697 -6.769 1.00 0.00 C ATOM 602 O GLU A 174 -18.839 2.845 -6.846 1.00 0.00 O ATOM 603 CB GLU A 174 -19.624 0.977 -9.137 1.00 0.00 C ATOM 604 CG GLU A 174 -20.239 -0.144 -9.959 1.00 0.00 C ATOM 605 CD GLU A 174 -19.558 -1.478 -9.730 1.00 0.00 C ATOM 606 OE1 GLU A 174 -19.763 -2.072 -8.651 1.00 0.00 O ATOM 607 OE2 GLU A 174 -18.816 -1.928 -10.629 1.00 0.00 O ATOM 0 H GLU A 174 -21.179 3.083 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.687 0.226 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.680 1.906 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.567 0.763 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -21.297 -0.233 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.181 0.112 -11.017 1.00 0.00 H new ATOM 614 N ASN A 175 -18.909 0.843 -5.821 1.00 0.00 N ATOM 615 CA ASN A 175 -17.940 1.211 -4.797 1.00 0.00 C ATOM 616 C ASN A 175 -16.517 1.099 -5.332 1.00 0.00 C ATOM 617 O ASN A 175 -15.999 -0.001 -5.521 1.00 0.00 O ATOM 618 CB ASN A 175 -18.105 0.322 -3.563 1.00 0.00 C ATOM 619 CG ASN A 175 -19.542 0.258 -3.084 1.00 0.00 C ATOM 620 OD1 ASN A 175 -20.117 1.267 -2.676 1.00 0.00 O ATOM 621 ND2 ASN A 175 -20.131 -0.931 -3.133 1.00 0.00 N ATOM 0 H ASN A 175 -19.265 -0.109 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 175 -18.124 2.248 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.757 -0.685 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.474 0.700 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -21.098 -1.034 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.617 -1.741 -3.479 1.00 0.00 H new ATOM 628 N LYS A 176 -15.891 2.246 -5.579 1.00 0.00 N ATOM 629 CA LYS A 176 -14.527 2.275 -6.096 1.00 0.00 C ATOM 630 C LYS A 176 -13.526 2.580 -4.985 1.00 0.00 C ATOM 631 O LYS A 176 -13.872 3.192 -3.975 1.00 0.00 O ATOM 632 CB LYS A 176 -14.406 3.318 -7.208 1.00 0.00 C ATOM 633 CG LYS A 176 -15.488 3.207 -8.269 1.00 0.00 C ATOM 634 CD LYS A 176 -14.961 2.552 -9.537 1.00 0.00 C ATOM 635 CE LYS A 176 -14.083 3.506 -10.331 1.00 0.00 C ATOM 636 NZ LYS A 176 -14.240 3.311 -11.799 1.00 0.00 N ATOM 0 H LYS A 176 -16.306 3.166 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.298 1.290 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.444 4.314 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.431 3.217 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -16.324 2.626 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.872 4.200 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.390 1.661 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -15.798 2.226 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.336 4.534 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -13.040 3.355 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -13.625 3.980 -12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -13.974 2.337 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -15.230 3.480 -12.068 1.00 0.00 H new ATOM 650 N ARG A 177 -12.285 2.150 -5.182 1.00 0.00 N ATOM 651 CA ARG A 177 -11.230 2.378 -4.200 1.00 0.00 C ATOM 652 C ARG A 177 -10.014 3.025 -4.852 1.00 0.00 C ATOM 653 O ARG A 177 -9.551 2.582 -5.902 1.00 0.00 O ATOM 654 CB ARG A 177 -10.829 1.059 -3.538 1.00 0.00 C ATOM 655 CG ARG A 177 -10.464 1.204 -2.068 1.00 0.00 C ATOM 656 CD ARG A 177 -11.150 0.147 -1.216 1.00 0.00 C ATOM 657 NE ARG A 177 -10.395 -0.153 0.001 1.00 0.00 N ATOM 658 CZ ARG A 177 -10.903 -0.799 1.047 1.00 0.00 C ATOM 659 NH1 ARG A 177 -12.162 -1.217 1.030 1.00 0.00 N ATOM 660 NH2 ARG A 177 -10.149 -1.028 2.113 1.00 0.00 N ATOM 0 H ARG A 177 -11.984 1.641 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.615 3.056 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.651 0.350 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.980 0.635 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -9.383 1.122 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.749 2.196 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -12.149 0.491 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -11.273 -0.765 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 177 -9.423 0.151 0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -12.746 -1.044 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -12.546 -1.712 1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -9.180 -0.709 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -10.538 -1.523 2.916 1.00 0.00 H new ATOM 674 N TYR A 178 -9.499 4.076 -4.220 1.00 0.00 N ATOM 675 CA TYR A 178 -8.335 4.786 -4.738 1.00 0.00 C ATOM 676 C TYR A 178 -7.135 3.850 -4.855 1.00 0.00 C ATOM 677 O TYR A 178 -6.633 3.339 -3.853 1.00 0.00 O ATOM 678 CB TYR A 178 -7.990 5.968 -3.832 1.00 0.00 C ATOM 679 CG TYR A 178 -6.898 6.857 -4.384 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.168 7.775 -5.392 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.600 6.778 -3.898 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.173 8.590 -5.899 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.599 7.589 -4.400 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.891 8.493 -5.398 1.00 0.00 C ATOM 685 OH TYR A 178 -3.898 9.303 -5.900 1.00 0.00 O ATOM 0 H TYR A 178 -9.870 4.454 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.579 5.159 -5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.887 6.566 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.681 5.590 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.171 7.853 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.368 6.071 -3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.398 9.298 -6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.594 7.514 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.561 9.887 -5.189 1.00 0.00 H new ATOM 695 N CYS A 179 -6.679 3.631 -6.084 1.00 0.00 N ATOM 696 CA CYS A 179 -5.537 2.757 -6.331 1.00 0.00 C ATOM 697 C CYS A 179 -4.225 3.511 -6.147 1.00 0.00 C ATOM 698 O CYS A 179 -3.852 4.340 -6.978 1.00 0.00 O ATOM 699 CB CYS A 179 -5.610 2.174 -7.744 1.00 0.00 C ATOM 700 SG CYS A 179 -4.269 1.031 -8.140 1.00 0.00 S ATOM 0 H CYS A 179 -7.082 4.046 -6.924 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.572 1.943 -5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.562 1.656 -7.863 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.600 2.992 -8.464 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.851 1.255 -9.351 1.00 0.00 H new ATOM 705 N GLN A 180 -3.524 3.211 -5.057 1.00 0.00 N ATOM 706 CA GLN A 180 -2.250 3.855 -4.760 1.00 0.00 C ATOM 707 C GLN A 180 -1.150 3.326 -5.674 1.00 0.00 C ATOM 708 O GLN A 180 -0.133 2.807 -5.212 1.00 0.00 O ATOM 709 CB GLN A 180 -1.870 3.626 -3.295 1.00 0.00 C ATOM 710 CG GLN A 180 -2.959 4.032 -2.314 1.00 0.00 C ATOM 711 CD GLN A 180 -2.414 4.329 -0.931 1.00 0.00 C ATOM 712 OE1 GLN A 180 -1.212 4.231 -0.690 1.00 0.00 O ATOM 713 NE2 GLN A 180 -3.302 4.693 -0.012 1.00 0.00 N ATOM 0 H GLN A 180 -3.819 2.524 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.359 4.925 -4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.636 2.571 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.963 4.188 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -3.476 4.913 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.698 3.234 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -4.290 4.761 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -2.996 4.904 0.938 1.00 0.00 H new ATOM 722 N GLN A 181 -1.367 3.462 -6.974 1.00 0.00 N ATOM 723 CA GLN A 181 -0.403 3.002 -7.967 1.00 0.00 C ATOM 724 C GLN A 181 -0.692 3.619 -9.333 1.00 0.00 C ATOM 725 O GLN A 181 0.228 3.965 -10.075 1.00 0.00 O ATOM 726 CB GLN A 181 -0.433 1.474 -8.067 1.00 0.00 C ATOM 727 CG GLN A 181 0.612 0.787 -7.203 1.00 0.00 C ATOM 728 CD GLN A 181 1.407 -0.257 -7.966 1.00 0.00 C ATOM 729 OE1 GLN A 181 2.309 0.074 -8.734 1.00 0.00 O ATOM 730 NE2 GLN A 181 1.072 -1.525 -7.755 1.00 0.00 N ATOM 0 H GLN A 181 -2.205 3.889 -7.369 1.00 0.00 H new ATOM 0 HA GLN A 181 0.590 3.319 -7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.422 1.119 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -0.281 1.183 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.295 1.536 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 181 0.121 0.314 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.316 -1.752 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.570 -2.272 -8.240 1.00 0.00 H new ATOM 739 N CYS A 182 -1.974 3.755 -9.658 1.00 0.00 N ATOM 740 CA CYS A 182 -2.380 4.332 -10.937 1.00 0.00 C ATOM 741 C CYS A 182 -2.941 5.738 -10.750 1.00 0.00 C ATOM 742 O CYS A 182 -2.917 6.553 -11.672 1.00 0.00 O ATOM 743 CB CYS A 182 -3.424 3.440 -11.612 1.00 0.00 C ATOM 744 SG CYS A 182 -2.901 1.724 -11.829 1.00 0.00 S ATOM 0 H CYS A 182 -2.748 3.475 -9.056 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.498 4.396 -11.574 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.339 3.457 -11.019 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.668 3.860 -12.588 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.754 1.103 -12.588 1.00 0.00 H new ATOM 749 N GLY A 183 -3.448 6.018 -9.553 1.00 0.00 N ATOM 750 CA GLY A 183 -4.008 7.325 -9.273 1.00 0.00 C ATOM 751 C GLY A 183 -5.516 7.355 -9.430 1.00 0.00 C ATOM 752 O GLY A 183 -6.230 7.827 -8.544 1.00 0.00 O ATOM 0 H GLY A 183 -3.480 5.362 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.746 7.619 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.561 8.060 -9.943 1.00 0.00 H new ATOM 756 N LYS A 184 -6.001 6.847 -10.558 1.00 0.00 N ATOM 757 CA LYS A 184 -7.434 6.815 -10.827 1.00 0.00 C ATOM 758 C LYS A 184 -8.146 5.868 -9.867 1.00 0.00 C ATOM 759 O LYS A 184 -7.520 5.273 -8.989 1.00 0.00 O ATOM 760 CB LYS A 184 -7.694 6.387 -12.273 1.00 0.00 C ATOM 761 CG LYS A 184 -6.899 5.162 -12.698 1.00 0.00 C ATOM 762 CD LYS A 184 -7.711 4.261 -13.615 1.00 0.00 C ATOM 763 CE LYS A 184 -7.994 4.930 -14.949 1.00 0.00 C ATOM 764 NZ LYS A 184 -9.209 4.373 -15.603 1.00 0.00 N ATOM 0 H LYS A 184 -5.423 6.452 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.829 7.820 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -8.757 6.181 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -7.451 7.216 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.989 5.477 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.592 4.602 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.171 3.329 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -8.652 4.001 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -8.122 6.002 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -7.136 4.802 -15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -9.367 4.856 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -9.077 3.355 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -10.033 4.518 -14.985 1.00 0.00 H new ATOM 778 N PHE A 185 -9.457 5.732 -10.039 1.00 0.00 N ATOM 779 CA PHE A 185 -10.252 4.857 -9.187 1.00 0.00 C ATOM 780 C PHE A 185 -10.418 3.480 -9.821 1.00 0.00 C ATOM 781 O PHE A 185 -10.397 3.342 -11.044 1.00 0.00 O ATOM 782 CB PHE A 185 -11.624 5.480 -8.921 1.00 0.00 C ATOM 783 CG PHE A 185 -11.571 6.691 -8.035 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.040 6.608 -6.758 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.053 7.912 -8.479 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.989 7.721 -5.940 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.005 9.028 -7.665 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.473 8.933 -6.394 1.00 0.00 C ATOM 0 H PHE A 185 -9.991 6.217 -10.761 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.725 4.737 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -12.080 5.755 -9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.271 4.732 -8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.662 5.663 -6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.471 7.992 -9.472 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.571 7.643 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.383 9.974 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.435 9.804 -5.756 1.00 0.00 H new ATOM 798 N HIS A 186 -10.587 2.463 -8.980 1.00 0.00 N ATOM 799 CA HIS A 186 -10.757 1.095 -9.458 1.00 0.00 C ATOM 800 C HIS A 186 -11.960 0.435 -8.794 1.00 0.00 C ATOM 801 O HIS A 186 -12.645 1.047 -7.975 1.00 0.00 O ATOM 802 CB HIS A 186 -9.498 0.275 -9.182 1.00 0.00 C ATOM 803 CG HIS A 186 -8.379 0.542 -10.140 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.577 1.031 -11.414 1.00 0.00 N ATOM 805 CD2 HIS A 186 -7.041 0.386 -10.004 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.411 1.163 -12.020 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.463 0.780 -11.185 1.00 0.00 N ATOM 0 H HIS A 186 -10.610 2.561 -7.965 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.930 1.132 -10.534 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -9.154 0.485 -8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.751 -0.785 -9.220 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.525 0.020 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.259 1.523 -13.027 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.463 0.777 -11.385 1.00 0.00 H new ATOM 815 N LEU A 187 -12.206 -0.822 -9.149 1.00 0.00 N ATOM 816 CA LEU A 187 -13.323 -1.571 -8.584 1.00 0.00 C ATOM 817 C LEU A 187 -12.892 -2.312 -7.323 1.00 0.00 C ATOM 818 O LEU A 187 -11.857 -2.979 -7.306 1.00 0.00 O ATOM 819 CB LEU A 187 -13.873 -2.561 -9.616 1.00 0.00 C ATOM 820 CG LEU A 187 -15.371 -2.436 -9.899 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.679 -1.100 -10.559 1.00 0.00 C ATOM 822 CD2 LEU A 187 -15.845 -3.586 -10.775 1.00 0.00 C ATOM 0 H LEU A 187 -11.647 -1.343 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.110 -0.865 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.330 -2.427 -10.551 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.667 -3.574 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.906 -2.482 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.749 -1.028 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.375 -0.289 -9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.134 -1.025 -11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -16.913 -3.481 -10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.304 -3.570 -11.721 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.659 -4.532 -10.266 1.00 0.00 H new ATOM 834 N LEU A 188 -13.688 -2.189 -6.267 1.00 0.00 N ATOM 835 CA LEU A 188 -13.384 -2.846 -5.002 1.00 0.00 C ATOM 836 C LEU A 188 -13.457 -4.373 -5.121 1.00 0.00 C ATOM 837 O LEU A 188 -12.691 -5.080 -4.467 1.00 0.00 O ATOM 838 CB LEU A 188 -14.324 -2.353 -3.896 1.00 0.00 C ATOM 839 CG LEU A 188 -13.625 -1.799 -2.654 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.627 -1.117 -1.737 1.00 0.00 C ATOM 841 CD2 LEU A 188 -12.891 -2.910 -1.917 1.00 0.00 C ATOM 0 H LEU A 188 -14.548 -1.641 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.360 -2.583 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -14.970 -1.577 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.969 -3.178 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 188 -12.893 -1.056 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -14.111 -0.729 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -15.106 -0.295 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.383 -1.837 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -12.399 -2.499 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -13.603 -3.676 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -12.144 -3.352 -2.576 1.00 0.00 H new ATOM 853 N PRO A 189 -14.372 -4.915 -5.954 1.00 0.00 N ATOM 854 CA PRO A 189 -14.504 -6.367 -6.125 1.00 0.00 C ATOM 855 C PRO A 189 -13.205 -7.012 -6.598 1.00 0.00 C ATOM 856 O PRO A 189 -12.933 -8.176 -6.301 1.00 0.00 O ATOM 857 CB PRO A 189 -15.591 -6.514 -7.194 1.00 0.00 C ATOM 858 CG PRO A 189 -16.345 -5.230 -7.156 1.00 0.00 C ATOM 859 CD PRO A 189 -15.340 -4.177 -6.789 1.00 0.00 C ATOM 0 HA PRO A 189 -14.748 -6.863 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.156 -6.687 -8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.243 -7.361 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -16.801 -5.015 -8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -17.152 -5.272 -6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -14.866 -3.747 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -15.800 -3.354 -6.242 1.00 0.00 H new ATOM 867 N ASP A 190 -12.406 -6.248 -7.336 1.00 0.00 N ATOM 868 CA ASP A 190 -11.136 -6.743 -7.852 1.00 0.00 C ATOM 869 C ASP A 190 -9.987 -6.377 -6.916 1.00 0.00 C ATOM 870 O ASP A 190 -9.088 -5.620 -7.284 1.00 0.00 O ATOM 871 CB ASP A 190 -10.874 -6.175 -9.249 1.00 0.00 C ATOM 872 CG ASP A 190 -11.484 -7.031 -10.343 1.00 0.00 C ATOM 873 OD1 ASP A 190 -12.610 -7.532 -10.145 1.00 0.00 O ATOM 874 OD2 ASP A 190 -10.834 -7.197 -11.397 1.00 0.00 O ATOM 0 H ASP A 190 -12.616 -5.283 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.196 -7.830 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -11.282 -5.166 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -9.799 -6.095 -9.410 1.00 0.00 H new