USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 179 CYS SG : rot -150:sc= -0.0363 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 186 HIS : no HE2:sc= -0.85 K(o=-0.89,f=-2.6) USER MOD Set 2.1: A 138 CYS SG : rot -87:sc= -3.43! 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= -0.585 USER MOD Set 2.4: A 163 CYS SG : rot 146:sc= -1.36 USER MOD Single : A 139 GLN : amide:sc= -2.73 K(o=-2.7,f=-5.6) 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 USER MOD Single : A 154 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-4.1!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-0.12) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 98:sc= 0.267 USER MOD Single : A 175 ASN : amide:sc= -0.759 K(o=-0.76,f=-4.9!) USER MOD Single : A 176 LYS NZ :NH3+ 144:sc= -1.34 (180deg=-3.43!) USER MOD Single : A 178 TYR OH : rot -174:sc= 0.851 USER MOD Single : A 180 GLN : amide:sc= 0.852 K(o=0.85,f=-5.8!) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -8.006 20.699 -11.639 1.00 0.00 N ATOM 18 CA ALA A 136 -8.245 19.657 -10.647 1.00 0.00 C ATOM 19 C ALA A 136 -9.635 19.793 -10.034 1.00 0.00 C ATOM 20 O ALA A 136 -9.976 20.833 -9.471 1.00 0.00 O ATOM 21 CB ALA A 136 -7.181 19.708 -9.564 1.00 0.00 C ATOM 0 HA ALA A 136 -8.191 18.691 -11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.371 18.925 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.199 19.555 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.208 20.681 -9.072 1.00 0.00 H new ATOM 27 N ARG A 137 -10.434 18.738 -10.150 1.00 0.00 N ATOM 28 CA ARG A 137 -11.789 18.743 -9.609 1.00 0.00 C ATOM 29 C ARG A 137 -12.308 17.319 -9.427 1.00 0.00 C ATOM 30 O ARG A 137 -12.499 16.589 -10.400 1.00 0.00 O ATOM 31 CB ARG A 137 -12.721 19.527 -10.538 1.00 0.00 C ATOM 32 CG ARG A 137 -14.180 19.506 -10.104 1.00 0.00 C ATOM 33 CD ARG A 137 -14.723 20.913 -9.894 1.00 0.00 C ATOM 34 NE ARG A 137 -14.923 21.620 -11.157 1.00 0.00 N ATOM 35 CZ ARG A 137 -15.724 22.672 -11.299 1.00 0.00 C ATOM 36 NH1 ARG A 137 -16.398 23.148 -10.259 1.00 0.00 N ATOM 37 NH2 ARG A 137 -15.851 23.254 -12.484 1.00 0.00 N ATOM 0 H ARG A 137 -10.168 17.869 -10.613 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.767 19.226 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.382 20.562 -10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.645 19.116 -11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.777 18.994 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.277 18.936 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.669 20.859 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.032 21.478 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.418 21.287 -11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.303 22.707 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.011 23.955 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.334 22.895 -13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.465 24.061 -12.593 1.00 0.00 H new ATOM 51 N CYS A 138 -12.541 16.929 -8.175 1.00 0.00 N ATOM 52 CA CYS A 138 -13.045 15.592 -7.873 1.00 0.00 C ATOM 53 C CYS A 138 -14.365 15.345 -8.594 1.00 0.00 C ATOM 54 O CYS A 138 -15.421 15.804 -8.154 1.00 0.00 O ATOM 55 CB CYS A 138 -13.227 15.415 -6.366 1.00 0.00 C ATOM 56 SG CYS A 138 -13.525 13.706 -5.861 1.00 0.00 S ATOM 0 H CYS A 138 -12.389 17.518 -7.356 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.314 14.863 -8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.337 15.784 -5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.063 16.032 -6.036 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.797 13.448 -5.932 1.00 0.00 H new ATOM 61 N GLN A 139 -14.292 14.630 -9.714 1.00 0.00 N ATOM 62 CA GLN A 139 -15.476 14.334 -10.517 1.00 0.00 C ATOM 63 C GLN A 139 -16.151 13.029 -10.092 1.00 0.00 C ATOM 64 O GLN A 139 -16.583 12.246 -10.937 1.00 0.00 O ATOM 65 CB GLN A 139 -15.098 14.262 -11.997 1.00 0.00 C ATOM 66 CG GLN A 139 -14.221 13.069 -12.346 1.00 0.00 C ATOM 67 CD GLN A 139 -13.287 13.351 -13.507 1.00 0.00 C ATOM 68 OE1 GLN A 139 -13.583 14.174 -14.371 1.00 0.00 O ATOM 69 NE2 GLN A 139 -12.151 12.662 -13.531 1.00 0.00 N ATOM 0 H GLN A 139 -13.424 14.244 -10.087 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.190 15.142 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -16.009 14.219 -12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.577 15.178 -12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.634 12.787 -11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -14.854 12.217 -12.593 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -11.947 11.989 -12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -11.483 12.806 -14.288 1.00 0.00 H new ATOM 78 N VAL A 140 -16.256 12.802 -8.786 1.00 0.00 N ATOM 79 CA VAL A 140 -16.898 11.595 -8.283 1.00 0.00 C ATOM 80 C VAL A 140 -18.394 11.836 -8.078 1.00 0.00 C ATOM 81 O VAL A 140 -18.784 12.782 -7.394 1.00 0.00 O ATOM 82 CB VAL A 140 -16.269 11.125 -6.956 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.829 9.772 -6.540 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.754 11.066 -7.078 1.00 0.00 C ATOM 0 H VAL A 140 -15.908 13.432 -8.064 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.749 10.813 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.525 11.848 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.370 9.461 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.908 9.850 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.610 9.035 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.326 10.733 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.480 10.367 -7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.370 12.057 -7.321 1.00 0.00 H new ATOM 94 N PRO A 141 -19.260 10.993 -8.673 1.00 0.00 N ATOM 95 CA PRO A 141 -20.714 11.137 -8.550 1.00 0.00 C ATOM 96 C PRO A 141 -21.156 11.379 -7.110 1.00 0.00 C ATOM 97 O PRO A 141 -21.855 12.351 -6.820 1.00 0.00 O ATOM 98 CB PRO A 141 -21.267 9.801 -9.071 1.00 0.00 C ATOM 99 CG PRO A 141 -20.078 8.924 -9.307 1.00 0.00 C ATOM 100 CD PRO A 141 -18.909 9.843 -9.511 1.00 0.00 C ATOM 0 HA PRO A 141 -21.079 12.000 -9.106 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.946 9.351 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.833 9.946 -9.991 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.908 8.262 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.230 8.289 -10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -17.972 9.383 -9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.792 10.124 -10.558 1.00 0.00 H new ATOM 108 N ASP A 142 -20.746 10.492 -6.211 1.00 0.00 N ATOM 109 CA ASP A 142 -21.102 10.613 -4.802 1.00 0.00 C ATOM 110 C ASP A 142 -20.333 11.751 -4.134 1.00 0.00 C ATOM 111 O ASP A 142 -20.785 12.311 -3.135 1.00 0.00 O ATOM 112 CB ASP A 142 -20.829 9.299 -4.069 1.00 0.00 C ATOM 113 CG ASP A 142 -19.434 8.766 -4.337 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.085 8.590 -5.524 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.693 8.525 -3.363 1.00 0.00 O ATOM 0 H ASP A 142 -20.167 9.682 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.167 10.840 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -20.957 9.451 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.564 8.555 -4.376 1.00 0.00 H new ATOM 120 N CYS A 143 -19.169 12.085 -4.684 1.00 0.00 N ATOM 121 CA CYS A 143 -18.343 13.153 -4.130 1.00 0.00 C ATOM 122 C CYS A 143 -17.947 14.162 -5.204 1.00 0.00 C ATOM 123 O CYS A 143 -16.963 13.972 -5.921 1.00 0.00 O ATOM 124 CB CYS A 143 -17.089 12.568 -3.476 1.00 0.00 C ATOM 125 SG CYS A 143 -16.005 13.800 -2.718 1.00 0.00 S ATOM 0 H CYS A 143 -18.777 11.633 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.933 13.674 -3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.392 11.849 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.524 12.017 -4.228 1.00 0.00 H new ATOM 0 HG CYS A 143 -14.975 13.207 -2.191 1.00 0.00 H new ATOM 130 N GLU A 144 -18.717 15.240 -5.307 1.00 0.00 N ATOM 131 CA GLU A 144 -18.443 16.286 -6.287 1.00 0.00 C ATOM 132 C GLU A 144 -17.636 17.412 -5.651 1.00 0.00 C ATOM 133 O GLU A 144 -18.174 18.471 -5.328 1.00 0.00 O ATOM 134 CB GLU A 144 -19.750 16.835 -6.859 1.00 0.00 C ATOM 135 CG GLU A 144 -20.582 15.793 -7.588 1.00 0.00 C ATOM 136 CD GLU A 144 -21.476 16.400 -8.653 1.00 0.00 C ATOM 137 OE1 GLU A 144 -22.044 17.484 -8.404 1.00 0.00 O ATOM 138 OE2 GLU A 144 -21.606 15.791 -9.736 1.00 0.00 O ATOM 0 H GLU A 144 -19.536 15.413 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.859 15.853 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.342 17.258 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.522 17.650 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.918 15.062 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -21.197 15.255 -6.867 1.00 0.00 H new ATOM 145 N ALA A 145 -16.342 17.171 -5.464 1.00 0.00 N ATOM 146 CA ALA A 145 -15.461 18.161 -4.855 1.00 0.00 C ATOM 147 C ALA A 145 -14.837 19.069 -5.907 1.00 0.00 C ATOM 148 O ALA A 145 -14.591 18.650 -7.037 1.00 0.00 O ATOM 149 CB ALA A 145 -14.375 17.469 -4.044 1.00 0.00 C ATOM 0 H ALA A 145 -15.881 16.300 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.061 18.782 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.724 18.218 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.834 16.869 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.788 16.824 -4.698 1.00 0.00 H new ATOM 155 N ASP A 146 -14.578 20.316 -5.525 1.00 0.00 N ATOM 156 CA ASP A 146 -13.978 21.287 -6.432 1.00 0.00 C ATOM 157 C ASP A 146 -12.560 21.638 -5.988 1.00 0.00 C ATOM 158 O ASP A 146 -12.283 22.770 -5.591 1.00 0.00 O ATOM 159 CB ASP A 146 -14.836 22.553 -6.498 1.00 0.00 C ATOM 160 CG ASP A 146 -14.367 23.514 -7.575 1.00 0.00 C ATOM 161 OD1 ASP A 146 -13.200 23.400 -8.003 1.00 0.00 O ATOM 162 OD2 ASP A 146 -15.168 24.379 -7.986 1.00 0.00 O ATOM 0 H ASP A 146 -14.775 20.678 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.929 20.841 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.873 22.276 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.812 23.056 -5.531 1.00 0.00 H new ATOM 167 N ILE A 147 -11.666 20.657 -6.058 1.00 0.00 N ATOM 168 CA ILE A 147 -10.278 20.855 -5.664 1.00 0.00 C ATOM 169 C ILE A 147 -9.456 21.436 -6.812 1.00 0.00 C ATOM 170 O ILE A 147 -8.576 20.768 -7.357 1.00 0.00 O ATOM 171 CB ILE A 147 -9.633 19.535 -5.200 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.714 18.481 -6.309 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.307 19.034 -3.931 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.363 17.956 -6.741 1.00 0.00 C ATOM 0 H ILE A 147 -11.880 19.715 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.283 21.560 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.581 19.719 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.325 17.647 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -10.221 18.912 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.841 18.101 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.198 19.779 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.366 18.863 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.496 17.214 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.756 18.779 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -7.862 17.496 -5.889 1.00 0.00 H new ATOM 186 N SER A 148 -9.746 22.682 -7.176 1.00 0.00 N ATOM 187 CA SER A 148 -9.027 23.345 -8.259 1.00 0.00 C ATOM 188 C SER A 148 -7.888 24.203 -7.717 1.00 0.00 C ATOM 189 O SER A 148 -7.458 25.159 -8.363 1.00 0.00 O ATOM 190 CB SER A 148 -9.987 24.210 -9.079 1.00 0.00 C ATOM 191 OG SER A 148 -9.664 24.163 -10.459 1.00 0.00 O ATOM 0 H SER A 148 -10.471 23.251 -6.739 1.00 0.00 H new ATOM 0 HA SER A 148 -8.600 22.575 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 148 -11.010 23.865 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 148 -9.944 25.241 -8.727 1.00 0.00 H new ATOM 0 HG SER A 148 -10.293 24.722 -10.961 1.00 0.00 H new ATOM 197 N GLU A 149 -7.400 23.856 -6.529 1.00 0.00 N ATOM 198 CA GLU A 149 -6.309 24.597 -5.904 1.00 0.00 C ATOM 199 C GLU A 149 -5.517 23.700 -4.958 1.00 0.00 C ATOM 200 O GLU A 149 -4.959 24.168 -3.965 1.00 0.00 O ATOM 201 CB GLU A 149 -6.857 25.805 -5.141 1.00 0.00 C ATOM 202 CG GLU A 149 -6.873 27.086 -5.961 1.00 0.00 C ATOM 203 CD GLU A 149 -5.495 27.702 -6.108 1.00 0.00 C ATOM 204 OE1 GLU A 149 -4.824 27.906 -5.075 1.00 0.00 O ATOM 205 OE2 GLU A 149 -5.088 27.979 -7.256 1.00 0.00 O ATOM 0 H GLU A 149 -7.743 23.067 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.641 24.946 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.871 25.584 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -6.254 25.963 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -7.280 26.875 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -7.541 27.807 -5.489 1.00 0.00 H new ATOM 212 N LEU A 150 -5.472 22.408 -5.270 1.00 0.00 N ATOM 213 CA LEU A 150 -4.749 21.446 -4.446 1.00 0.00 C ATOM 214 C LEU A 150 -3.297 21.324 -4.899 1.00 0.00 C ATOM 215 O LEU A 150 -2.900 21.904 -5.910 1.00 0.00 O ATOM 216 CB LEU A 150 -5.435 20.079 -4.502 1.00 0.00 C ATOM 217 CG LEU A 150 -6.050 19.609 -3.183 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.061 20.623 -2.673 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.700 18.244 -3.355 1.00 0.00 C ATOM 0 H LEU A 150 -5.928 22.004 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.758 21.805 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.219 20.113 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -4.707 19.337 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.253 19.520 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.488 20.271 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.566 21.580 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.856 20.746 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.132 17.925 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.485 18.307 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.949 17.521 -3.673 1.00 0.00 H new ATOM 231 N LYS A 151 -2.509 20.564 -4.144 1.00 0.00 N ATOM 232 CA LYS A 151 -1.102 20.364 -4.468 1.00 0.00 C ATOM 233 C LYS A 151 -0.668 18.936 -4.153 1.00 0.00 C ATOM 234 O LYS A 151 -0.597 18.541 -2.988 1.00 0.00 O ATOM 235 CB LYS A 151 -0.232 21.355 -3.691 1.00 0.00 C ATOM 236 CG LYS A 151 -0.314 22.780 -4.214 1.00 0.00 C ATOM 237 CD LYS A 151 1.031 23.482 -4.136 1.00 0.00 C ATOM 238 CE LYS A 151 0.887 24.915 -3.651 1.00 0.00 C ATOM 239 NZ LYS A 151 0.684 25.867 -4.778 1.00 0.00 N ATOM 0 H LYS A 151 -2.822 20.077 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 151 -0.974 20.537 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -0.532 21.344 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.805 21.022 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.660 22.770 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -1.051 23.338 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.690 22.934 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 151 1.503 23.476 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.044 24.982 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 151 1.778 25.200 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 0.590 26.833 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 1.500 25.822 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -0.180 25.611 -5.297 1.00 0.00 H new ATOM 253 N GLY A 152 -0.380 18.165 -5.196 1.00 0.00 N ATOM 254 CA GLY A 152 0.041 16.790 -5.008 1.00 0.00 C ATOM 255 C GLY A 152 -0.235 15.925 -6.221 1.00 0.00 C ATOM 256 O GLY A 152 -0.263 16.416 -7.350 1.00 0.00 O ATOM 0 H GLY A 152 -0.431 18.468 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 152 1.108 16.768 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.474 16.371 -4.143 1.00 0.00 H new ATOM 260 N TYR A 153 -0.441 14.632 -5.989 1.00 0.00 N ATOM 261 CA TYR A 153 -0.717 13.695 -7.072 1.00 0.00 C ATOM 262 C TYR A 153 -2.212 13.629 -7.370 1.00 0.00 C ATOM 263 O TYR A 153 -2.617 13.309 -8.488 1.00 0.00 O ATOM 264 CB TYR A 153 -0.194 12.302 -6.715 1.00 0.00 C ATOM 265 CG TYR A 153 -0.643 11.816 -5.356 1.00 0.00 C ATOM 266 CD1 TYR A 153 -1.879 11.207 -5.189 1.00 0.00 C ATOM 267 CD2 TYR A 153 0.173 11.966 -4.241 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.292 10.761 -3.947 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.234 11.522 -2.997 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.467 10.920 -2.856 1.00 0.00 C ATOM 271 OH TYR A 153 -1.874 10.477 -1.619 1.00 0.00 O ATOM 0 H TYR A 153 -0.422 14.210 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.204 14.051 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.527 11.593 -7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.896 12.313 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.528 11.079 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 153 1.139 12.436 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.257 10.290 -3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.410 11.646 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.175 10.665 -0.958 1.00 0.00 H new ATOM 281 N HIS A 154 -3.029 13.929 -6.364 1.00 0.00 N ATOM 282 CA HIS A 154 -4.479 13.903 -6.523 1.00 0.00 C ATOM 283 C HIS A 154 -4.979 15.119 -7.303 1.00 0.00 C ATOM 284 O HIS A 154 -6.166 15.219 -7.614 1.00 0.00 O ATOM 285 CB HIS A 154 -5.163 13.845 -5.154 1.00 0.00 C ATOM 286 CG HIS A 154 -4.633 14.843 -4.173 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.440 14.554 -2.838 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.253 16.133 -4.334 1.00 0.00 C ATOM 289 CE1 HIS A 154 -3.968 15.623 -2.222 1.00 0.00 C ATOM 290 NE2 HIS A 154 -3.844 16.594 -3.107 1.00 0.00 N ATOM 0 H HIS A 154 -2.712 14.193 -5.431 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.733 13.008 -7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.232 14.010 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.044 12.844 -4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.269 16.695 -5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.725 15.691 -1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -3.500 17.534 -2.911 1.00 0.00 H new ATOM 298 N LYS A 155 -4.073 16.042 -7.617 1.00 0.00 N ATOM 299 CA LYS A 155 -4.434 17.244 -8.359 1.00 0.00 C ATOM 300 C LYS A 155 -4.524 16.954 -9.854 1.00 0.00 C ATOM 301 O LYS A 155 -5.400 17.472 -10.545 1.00 0.00 O ATOM 302 CB LYS A 155 -3.409 18.352 -8.103 1.00 0.00 C ATOM 303 CG LYS A 155 -3.909 19.740 -8.468 1.00 0.00 C ATOM 304 CD LYS A 155 -3.521 20.116 -9.889 1.00 0.00 C ATOM 305 CE LYS A 155 -3.262 21.610 -10.017 1.00 0.00 C ATOM 306 NZ LYS A 155 -3.773 22.152 -11.307 1.00 0.00 N ATOM 0 H LYS A 155 -3.086 15.979 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.413 17.576 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.130 18.341 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.506 18.139 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.993 19.776 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -3.498 20.471 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.628 19.564 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -4.316 19.823 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -3.739 22.134 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -2.192 21.801 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -3.578 23.172 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -3.300 21.670 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -4.799 21.993 -11.369 1.00 0.00 H new ATOM 320 N ARG A 156 -3.610 16.124 -10.348 1.00 0.00 N ATOM 321 CA ARG A 156 -3.585 15.766 -11.763 1.00 0.00 C ATOM 322 C ARG A 156 -4.429 14.522 -12.042 1.00 0.00 C ATOM 323 O ARG A 156 -4.282 13.888 -13.087 1.00 0.00 O ATOM 324 CB ARG A 156 -2.145 15.530 -12.223 1.00 0.00 C ATOM 325 CG ARG A 156 -1.918 15.833 -13.695 1.00 0.00 C ATOM 326 CD ARG A 156 -1.674 14.565 -14.498 1.00 0.00 C ATOM 327 NE ARG A 156 -1.200 14.855 -15.849 1.00 0.00 N ATOM 328 CZ ARG A 156 -1.249 13.984 -16.855 1.00 0.00 C ATOM 329 NH1 ARG A 156 -1.750 12.769 -16.665 1.00 0.00 N ATOM 330 NH2 ARG A 156 -0.797 14.329 -18.053 1.00 0.00 N ATOM 0 H ARG A 156 -2.877 15.687 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.013 16.598 -12.323 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.476 16.149 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.876 14.492 -12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.785 16.357 -14.097 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.064 16.502 -13.802 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -0.941 13.945 -13.982 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -2.597 13.988 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.809 15.779 -16.032 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -2.099 12.500 -15.745 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -1.785 12.105 -17.439 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -0.412 15.261 -18.204 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -0.834 13.662 -18.824 1.00 0.00 H new ATOM 344 N HIS A 157 -5.312 14.175 -11.109 1.00 0.00 N ATOM 345 CA HIS A 157 -6.170 13.008 -11.270 1.00 0.00 C ATOM 346 C HIS A 157 -7.638 13.356 -11.021 1.00 0.00 C ATOM 347 O HIS A 157 -8.487 12.468 -10.934 1.00 0.00 O ATOM 348 CB HIS A 157 -5.732 11.893 -10.317 1.00 0.00 C ATOM 349 CG HIS A 157 -4.622 11.045 -10.858 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.839 9.880 -11.565 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.279 11.198 -10.793 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.677 9.354 -11.908 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.715 10.134 -11.453 1.00 0.00 N ATOM 0 H HIS A 157 -5.451 14.685 -10.236 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.072 12.663 -12.299 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.413 12.337 -9.374 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.589 11.257 -10.096 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.749 12.007 -10.312 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.538 8.440 -12.466 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.715 9.973 -11.572 1.00 0.00 H new ATOM 361 N ARG A 158 -7.933 14.649 -10.908 1.00 0.00 N ATOM 362 CA ARG A 158 -9.299 15.108 -10.670 1.00 0.00 C ATOM 363 C ARG A 158 -9.919 14.387 -9.475 1.00 0.00 C ATOM 364 O ARG A 158 -10.988 13.784 -9.584 1.00 0.00 O ATOM 365 CB ARG A 158 -10.156 14.892 -11.919 1.00 0.00 C ATOM 366 CG ARG A 158 -10.060 16.030 -12.922 1.00 0.00 C ATOM 367 CD ARG A 158 -11.003 15.823 -14.097 1.00 0.00 C ATOM 368 NE ARG A 158 -12.166 16.705 -14.026 1.00 0.00 N ATOM 369 CZ ARG A 158 -13.013 16.897 -15.036 1.00 0.00 C ATOM 370 NH1 ARG A 158 -12.830 16.271 -16.191 1.00 0.00 N ATOM 371 NH2 ARG A 158 -14.044 17.716 -14.888 1.00 0.00 N ATOM 0 H ARG A 158 -7.244 15.398 -10.977 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.264 16.174 -10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.852 13.964 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.197 14.769 -11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.296 16.972 -12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.036 16.109 -13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.467 16.004 -15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -11.335 14.785 -14.117 1.00 0.00 H new ATOM 0 HE ARG A 158 -12.339 17.202 -13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.038 15.639 -16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -13.481 16.421 -16.961 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -14.189 18.199 -14.001 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -14.693 17.864 -15.661 1.00 0.00 H new ATOM 385 N VAL A 159 -9.240 14.460 -8.335 1.00 0.00 N ATOM 386 CA VAL A 159 -9.715 13.821 -7.114 1.00 0.00 C ATOM 387 C VAL A 159 -9.279 14.613 -5.884 1.00 0.00 C ATOM 388 O VAL A 159 -8.136 15.060 -5.796 1.00 0.00 O ATOM 389 CB VAL A 159 -9.197 12.374 -6.998 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.675 12.348 -6.962 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.779 11.691 -5.770 1.00 0.00 C ATOM 0 H VAL A 159 -8.356 14.958 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.804 13.800 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.525 11.823 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.331 11.317 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.282 12.790 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.322 12.918 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.400 10.671 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.488 12.242 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.866 11.670 -5.846 1.00 0.00 H new ATOM 401 N CYS A 160 -10.196 14.787 -4.937 1.00 0.00 N ATOM 402 CA CYS A 160 -9.902 15.530 -3.718 1.00 0.00 C ATOM 403 C CYS A 160 -9.053 14.700 -2.758 1.00 0.00 C ATOM 404 O CYS A 160 -8.907 13.491 -2.930 1.00 0.00 O ATOM 405 CB CYS A 160 -11.204 15.977 -3.039 1.00 0.00 C ATOM 406 SG CYS A 160 -12.062 14.673 -2.120 1.00 0.00 S ATOM 0 H CYS A 160 -11.148 14.424 -4.991 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.328 16.416 -3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.979 16.797 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.878 16.371 -3.799 1.00 0.00 H new ATOM 0 HG CYS A 160 -13.144 15.158 -1.587 1.00 0.00 H new ATOM 411 N LEU A 161 -8.496 15.361 -1.749 1.00 0.00 N ATOM 412 CA LEU A 161 -7.661 14.693 -0.760 1.00 0.00 C ATOM 413 C LEU A 161 -8.475 13.693 0.059 1.00 0.00 C ATOM 414 O LEU A 161 -8.019 12.584 0.335 1.00 0.00 O ATOM 415 CB LEU A 161 -7.019 15.725 0.165 1.00 0.00 C ATOM 416 CG LEU A 161 -6.020 15.171 1.186 1.00 0.00 C ATOM 417 CD1 LEU A 161 -5.314 13.931 0.655 1.00 0.00 C ATOM 418 CD2 LEU A 161 -5.004 16.239 1.548 1.00 0.00 C ATOM 0 H LEU A 161 -8.609 16.363 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.879 14.146 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.509 16.468 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.811 16.245 0.704 1.00 0.00 H new ATOM 0 HG LEU A 161 -6.573 14.882 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.612 13.563 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -6.051 13.158 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -4.773 14.183 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -4.297 15.838 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -4.467 16.549 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -5.518 17.099 1.978 1.00 0.00 H new ATOM 430 N ARG A 162 -9.681 14.096 0.444 1.00 0.00 N ATOM 431 CA ARG A 162 -10.562 13.241 1.236 1.00 0.00 C ATOM 432 C ARG A 162 -10.731 11.869 0.590 1.00 0.00 C ATOM 433 O ARG A 162 -10.908 10.866 1.281 1.00 0.00 O ATOM 434 CB ARG A 162 -11.929 13.907 1.410 1.00 0.00 C ATOM 435 CG ARG A 162 -12.806 13.230 2.451 1.00 0.00 C ATOM 436 CD ARG A 162 -13.590 12.073 1.855 1.00 0.00 C ATOM 437 NE ARG A 162 -14.998 12.108 2.246 1.00 0.00 N ATOM 438 CZ ARG A 162 -15.899 12.919 1.695 1.00 0.00 C ATOM 439 NH1 ARG A 162 -15.546 13.761 0.733 1.00 0.00 N ATOM 440 NH2 ARG A 162 -17.159 12.885 2.109 1.00 0.00 N ATOM 0 H ARG A 162 -10.073 15.011 0.221 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.102 13.102 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.783 14.950 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.449 13.906 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -12.185 12.866 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -13.497 13.959 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.514 12.105 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -13.147 11.131 2.177 1.00 0.00 H new ATOM 0 HE ARG A 162 -15.308 11.475 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -14.579 13.790 0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -16.242 14.379 0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -17.436 12.239 2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -17.851 13.505 1.688 1.00 0.00 H new ATOM 454 N CYS A 163 -10.679 11.831 -0.738 1.00 0.00 N ATOM 455 CA CYS A 163 -10.829 10.579 -1.472 1.00 0.00 C ATOM 456 C CYS A 163 -9.509 9.822 -1.534 1.00 0.00 C ATOM 457 O CYS A 163 -9.487 8.591 -1.561 1.00 0.00 O ATOM 458 CB CYS A 163 -11.341 10.851 -2.887 1.00 0.00 C ATOM 459 SG CYS A 163 -13.140 10.991 -3.006 1.00 0.00 S ATOM 0 H CYS A 163 -10.534 12.651 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.555 9.962 -0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.890 11.773 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.005 10.049 -3.544 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.448 11.864 -3.918 1.00 0.00 H new ATOM 464 N ALA A 164 -8.406 10.564 -1.554 1.00 0.00 N ATOM 465 CA ALA A 164 -7.080 9.961 -1.613 1.00 0.00 C ATOM 466 C ALA A 164 -6.774 9.177 -0.340 1.00 0.00 C ATOM 467 O ALA A 164 -6.021 8.203 -0.365 1.00 0.00 O ATOM 468 CB ALA A 164 -6.024 11.031 -1.841 1.00 0.00 C ATOM 0 H ALA A 164 -8.405 11.584 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.063 9.264 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.039 10.567 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.223 11.545 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.052 11.750 -1.022 1.00 0.00 H new ATOM 474 N THR A 165 -7.361 9.609 0.771 1.00 0.00 N ATOM 475 CA THR A 165 -7.150 8.948 2.053 1.00 0.00 C ATOM 476 C THR A 165 -8.357 8.105 2.451 1.00 0.00 C ATOM 477 O THR A 165 -8.234 7.156 3.225 1.00 0.00 O ATOM 478 CB THR A 165 -6.864 9.969 3.170 1.00 0.00 C ATOM 479 OG1 THR A 165 -7.957 10.888 3.285 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.580 10.735 2.890 1.00 0.00 C ATOM 0 H THR A 165 -7.986 10.414 0.809 1.00 0.00 H new ATOM 0 HA THR A 165 -6.284 8.298 1.930 1.00 0.00 H new ATOM 0 HB THR A 165 -6.746 9.424 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 165 -7.768 11.533 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.400 11.450 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.745 10.037 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.673 11.268 1.944 1.00 0.00 H new ATOM 488 N ALA A 166 -9.526 8.456 1.919 1.00 0.00 N ATOM 489 CA ALA A 166 -10.754 7.729 2.223 1.00 0.00 C ATOM 490 C ALA A 166 -10.598 6.239 1.944 1.00 0.00 C ATOM 491 O ALA A 166 -9.784 5.833 1.114 1.00 0.00 O ATOM 492 CB ALA A 166 -11.915 8.299 1.420 1.00 0.00 C ATOM 0 H ALA A 166 -9.647 9.239 1.276 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.964 7.851 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.826 7.748 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.051 9.350 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.701 8.207 0.355 1.00 0.00 H new ATOM 498 N SER A 167 -11.384 5.426 2.643 1.00 0.00 N ATOM 499 CA SER A 167 -11.335 3.980 2.470 1.00 0.00 C ATOM 500 C SER A 167 -11.977 3.565 1.151 1.00 0.00 C ATOM 501 O SER A 167 -11.491 2.662 0.469 1.00 0.00 O ATOM 502 CB SER A 167 -12.041 3.282 3.635 1.00 0.00 C ATOM 503 OG SER A 167 -13.209 3.987 4.020 1.00 0.00 O ATOM 0 H SER A 167 -12.062 5.745 3.335 1.00 0.00 H new ATOM 0 HA SER A 167 -10.288 3.678 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.305 2.264 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.361 3.207 4.484 1.00 0.00 H new ATOM 0 HG SER A 167 -13.993 3.574 3.602 1.00 0.00 H new ATOM 509 N PHE A 168 -13.073 4.229 0.796 1.00 0.00 N ATOM 510 CA PHE A 168 -13.781 3.928 -0.442 1.00 0.00 C ATOM 511 C PHE A 168 -14.829 4.996 -0.742 1.00 0.00 C ATOM 512 O PHE A 168 -15.177 5.799 0.124 1.00 0.00 O ATOM 513 CB PHE A 168 -14.447 2.555 -0.353 1.00 0.00 C ATOM 514 CG PHE A 168 -15.441 2.443 0.769 1.00 0.00 C ATOM 515 CD1 PHE A 168 -16.759 2.828 0.583 1.00 0.00 C ATOM 516 CD2 PHE A 168 -15.057 1.953 2.007 1.00 0.00 C ATOM 517 CE1 PHE A 168 -17.676 2.726 1.613 1.00 0.00 C ATOM 518 CE2 PHE A 168 -15.969 1.849 3.039 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.280 2.236 2.842 1.00 0.00 C ATOM 0 H PHE A 168 -13.489 4.979 1.348 1.00 0.00 H new ATOM 0 HA PHE A 168 -13.054 3.919 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.950 2.342 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.677 1.794 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -17.073 3.212 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -14.033 1.649 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -18.701 3.029 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -15.657 1.465 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 168 -17.995 2.156 3.648 1.00 0.00 H new ATOM 529 N VAL A 169 -15.328 4.997 -1.973 1.00 0.00 N ATOM 530 CA VAL A 169 -16.336 5.963 -2.388 1.00 0.00 C ATOM 531 C VAL A 169 -17.459 5.287 -3.169 1.00 0.00 C ATOM 532 O VAL A 169 -17.209 4.418 -4.005 1.00 0.00 O ATOM 533 CB VAL A 169 -15.724 7.079 -3.255 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.744 7.910 -2.443 1.00 0.00 C ATOM 535 CG2 VAL A 169 -15.045 6.488 -4.482 1.00 0.00 C ATOM 0 H VAL A 169 -15.050 4.339 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.743 6.403 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.527 7.735 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.322 8.693 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.264 8.364 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.943 7.270 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.618 7.290 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.252 5.809 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.778 5.941 -5.075 1.00 0.00 H new ATOM 545 N VAL A 170 -18.694 5.691 -2.892 1.00 0.00 N ATOM 546 CA VAL A 170 -19.852 5.124 -3.570 1.00 0.00 C ATOM 547 C VAL A 170 -20.052 5.765 -4.939 1.00 0.00 C ATOM 548 O VAL A 170 -20.985 6.542 -5.143 1.00 0.00 O ATOM 549 CB VAL A 170 -21.136 5.302 -2.735 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.295 4.552 -3.371 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.911 4.839 -1.304 1.00 0.00 C ATOM 0 H VAL A 170 -18.918 6.409 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.657 4.059 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.389 6.362 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.192 4.689 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.471 4.938 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.054 3.490 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.828 4.972 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.632 3.785 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -20.112 5.427 -0.853 1.00 0.00 H new ATOM 561 N LEU A 171 -19.168 5.437 -5.874 1.00 0.00 N ATOM 562 CA LEU A 171 -19.245 5.983 -7.224 1.00 0.00 C ATOM 563 C LEU A 171 -20.593 5.664 -7.866 1.00 0.00 C ATOM 564 O LEU A 171 -21.500 5.154 -7.207 1.00 0.00 O ATOM 565 CB LEU A 171 -18.109 5.431 -8.086 1.00 0.00 C ATOM 566 CG LEU A 171 -17.516 6.428 -9.089 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.133 6.879 -8.642 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.452 5.819 -10.484 1.00 0.00 C ATOM 0 H LEU A 171 -18.390 4.796 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 171 -19.145 7.066 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.312 5.081 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.477 4.563 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.169 7.300 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.729 7.586 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.205 7.360 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.473 6.014 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -17.028 6.544 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.826 4.927 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.457 5.549 -10.810 1.00 0.00 H new ATOM 580 N ASP A 172 -20.718 5.972 -9.153 1.00 0.00 N ATOM 581 CA ASP A 172 -21.958 5.722 -9.885 1.00 0.00 C ATOM 582 C ASP A 172 -22.392 4.264 -9.761 1.00 0.00 C ATOM 583 O ASP A 172 -22.004 3.420 -10.568 1.00 0.00 O ATOM 584 CB ASP A 172 -21.783 6.088 -11.361 1.00 0.00 C ATOM 585 CG ASP A 172 -23.094 6.464 -12.023 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.689 7.487 -11.623 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.526 5.736 -12.940 1.00 0.00 O ATOM 0 H ASP A 172 -19.977 6.395 -9.712 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.736 6.347 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.085 6.921 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.340 5.245 -11.891 1.00 0.00 H new ATOM 592 N GLY A 173 -23.202 3.978 -8.746 1.00 0.00 N ATOM 593 CA GLY A 173 -23.683 2.624 -8.533 1.00 0.00 C ATOM 594 C GLY A 173 -22.562 1.602 -8.484 1.00 0.00 C ATOM 595 O GLY A 173 -22.750 0.449 -8.869 1.00 0.00 O ATOM 0 H GLY A 173 -23.535 4.661 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.244 2.586 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.375 2.359 -9.332 1.00 0.00 H new ATOM 599 N GLU A 174 -21.395 2.027 -8.013 1.00 0.00 N ATOM 600 CA GLU A 174 -20.243 1.137 -7.918 1.00 0.00 C ATOM 601 C GLU A 174 -19.215 1.676 -6.929 1.00 0.00 C ATOM 602 O GLU A 174 -18.705 2.786 -7.092 1.00 0.00 O ATOM 603 CB GLU A 174 -19.599 0.956 -9.295 1.00 0.00 C ATOM 604 CG GLU A 174 -20.353 -0.006 -10.198 1.00 0.00 C ATOM 605 CD GLU A 174 -19.438 -0.745 -11.155 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.530 -0.102 -11.725 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.630 -1.966 -11.337 1.00 0.00 O ATOM 0 H GLU A 174 -21.221 2.979 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.592 0.170 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.533 1.927 -9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.579 0.595 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.891 -0.729 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -21.100 0.546 -10.768 1.00 0.00 H new ATOM 614 N ASN A 175 -18.913 0.884 -5.907 1.00 0.00 N ATOM 615 CA ASN A 175 -17.943 1.281 -4.893 1.00 0.00 C ATOM 616 C ASN A 175 -16.521 1.124 -5.418 1.00 0.00 C ATOM 617 O ASN A 175 -16.019 0.008 -5.559 1.00 0.00 O ATOM 618 CB ASN A 175 -18.126 0.444 -3.625 1.00 0.00 C ATOM 619 CG ASN A 175 -19.547 0.494 -3.099 1.00 0.00 C ATOM 620 OD1 ASN A 175 -20.494 0.711 -3.855 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.703 0.293 -1.796 1.00 0.00 N ATOM 0 H ASN A 175 -19.326 -0.037 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 175 -18.112 2.331 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.855 -0.591 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.444 0.803 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.636 0.315 -1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -18.890 0.116 -1.206 1.00 0.00 H new ATOM 628 N LYS A 176 -15.874 2.248 -5.709 1.00 0.00 N ATOM 629 CA LYS A 176 -14.509 2.233 -6.222 1.00 0.00 C ATOM 630 C LYS A 176 -13.512 2.627 -5.139 1.00 0.00 C ATOM 631 O LYS A 176 -13.822 3.428 -4.257 1.00 0.00 O ATOM 632 CB LYS A 176 -14.382 3.180 -7.418 1.00 0.00 C ATOM 633 CG LYS A 176 -15.350 2.868 -8.548 1.00 0.00 C ATOM 634 CD LYS A 176 -14.836 3.383 -9.885 1.00 0.00 C ATOM 635 CE LYS A 176 -14.553 2.249 -10.856 1.00 0.00 C ATOM 636 NZ LYS A 176 -13.093 2.051 -11.069 1.00 0.00 N ATOM 0 H LYS A 176 -16.273 3.180 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.281 1.217 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.549 4.203 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.363 3.133 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.505 1.791 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -16.319 3.318 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -15.571 4.060 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.926 3.961 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.993 1.327 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -15.034 2.461 -11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -12.893 1.037 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -12.795 2.559 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -12.569 2.419 -10.249 1.00 0.00 H new ATOM 650 N ARG A 177 -12.312 2.060 -5.213 1.00 0.00 N ATOM 651 CA ARG A 177 -11.267 2.352 -4.241 1.00 0.00 C ATOM 652 C ARG A 177 -10.137 3.150 -4.885 1.00 0.00 C ATOM 653 O ARG A 177 -9.680 2.824 -5.981 1.00 0.00 O ATOM 654 CB ARG A 177 -10.715 1.055 -3.644 1.00 0.00 C ATOM 655 CG ARG A 177 -10.454 1.137 -2.149 1.00 0.00 C ATOM 656 CD ARG A 177 -9.166 1.888 -1.849 1.00 0.00 C ATOM 657 NE ARG A 177 -8.974 2.095 -0.416 1.00 0.00 N ATOM 658 CZ ARG A 177 -7.927 2.725 0.110 1.00 0.00 C ATOM 659 NH1 ARG A 177 -6.975 3.213 -0.678 1.00 0.00 N ATOM 660 NH2 ARG A 177 -7.830 2.871 1.424 1.00 0.00 N ATOM 0 H ARG A 177 -12.040 1.395 -5.937 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.705 2.951 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.420 0.247 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.786 0.797 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -11.290 1.636 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.395 0.131 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -8.320 1.331 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -9.183 2.853 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 177 -9.686 1.735 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -7.045 3.105 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -6.174 3.695 -0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -8.559 2.500 2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -7.026 3.354 1.825 1.00 0.00 H new ATOM 674 N TYR A 178 -9.694 4.198 -4.200 1.00 0.00 N ATOM 675 CA TYR A 178 -8.621 5.044 -4.707 1.00 0.00 C ATOM 676 C TYR A 178 -7.298 4.287 -4.747 1.00 0.00 C ATOM 677 O TYR A 178 -6.649 4.095 -3.718 1.00 0.00 O ATOM 678 CB TYR A 178 -8.478 6.297 -3.843 1.00 0.00 C ATOM 679 CG TYR A 178 -7.463 7.286 -4.373 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.773 8.125 -5.435 1.00 0.00 C ATOM 681 CD2 TYR A 178 -6.196 7.378 -3.811 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.849 9.032 -5.922 1.00 0.00 C ATOM 683 CE2 TYR A 178 -5.267 8.281 -4.293 1.00 0.00 C ATOM 684 CZ TYR A 178 -5.599 9.104 -5.348 1.00 0.00 C ATOM 685 OH TYR A 178 -4.675 10.003 -5.830 1.00 0.00 O ATOM 0 H TYR A 178 -10.062 4.482 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.879 5.339 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -9.448 6.789 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -8.192 6.001 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.752 8.069 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.933 6.734 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -7.106 9.680 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -4.286 8.341 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.816 9.862 -5.380 1.00 0.00 H new ATOM 695 N CYS A 179 -6.901 3.862 -5.942 1.00 0.00 N ATOM 696 CA CYS A 179 -5.652 3.129 -6.118 1.00 0.00 C ATOM 697 C CYS A 179 -4.482 4.095 -6.283 1.00 0.00 C ATOM 698 O CYS A 179 -4.305 4.691 -7.343 1.00 0.00 O ATOM 699 CB CYS A 179 -5.744 2.206 -7.334 1.00 0.00 C ATOM 700 SG CYS A 179 -4.254 1.223 -7.633 1.00 0.00 S ATOM 0 H CYS A 179 -7.426 4.013 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.482 2.524 -5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.590 1.532 -7.201 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.952 2.808 -8.218 1.00 0.00 H new ATOM 0 HG CYS A 179 -4.137 0.989 -8.906 1.00 0.00 H new ATOM 705 N GLN A 180 -3.692 4.247 -5.227 1.00 0.00 N ATOM 706 CA GLN A 180 -2.542 5.147 -5.255 1.00 0.00 C ATOM 707 C GLN A 180 -1.483 4.662 -6.241 1.00 0.00 C ATOM 708 O GLN A 180 -0.701 5.455 -6.763 1.00 0.00 O ATOM 709 CB GLN A 180 -1.934 5.270 -3.856 1.00 0.00 C ATOM 710 CG GLN A 180 -2.955 5.586 -2.775 1.00 0.00 C ATOM 711 CD GLN A 180 -3.416 4.349 -2.029 1.00 0.00 C ATOM 712 OE1 GLN A 180 -4.061 3.469 -2.599 1.00 0.00 O ATOM 713 NE2 GLN A 180 -3.088 4.277 -0.743 1.00 0.00 N ATOM 0 H GLN A 180 -3.825 3.760 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.890 6.126 -5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.428 4.337 -3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -1.174 6.052 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -2.522 6.293 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.818 6.076 -3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -2.552 5.029 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -3.372 3.469 -0.189 1.00 0.00 H new ATOM 722 N GLN A 181 -1.460 3.356 -6.487 1.00 0.00 N ATOM 723 CA GLN A 181 -0.490 2.768 -7.405 1.00 0.00 C ATOM 724 C GLN A 181 -0.624 3.361 -8.805 1.00 0.00 C ATOM 725 O GLN A 181 0.375 3.593 -9.488 1.00 0.00 O ATOM 726 CB GLN A 181 -0.668 1.251 -7.463 1.00 0.00 C ATOM 727 CG GLN A 181 0.627 0.495 -7.713 1.00 0.00 C ATOM 728 CD GLN A 181 0.396 -0.870 -8.330 1.00 0.00 C ATOM 729 OE1 GLN A 181 -0.678 -1.454 -8.189 1.00 0.00 O ATOM 730 NE2 GLN A 181 1.407 -1.386 -9.019 1.00 0.00 N ATOM 0 H GLN A 181 -2.101 2.685 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 181 0.507 2.999 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.103 0.909 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.379 1.007 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.266 1.084 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.162 0.378 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 181 2.280 -0.866 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.311 -2.302 -9.457 1.00 0.00 H new ATOM 739 N CYS A 182 -1.860 3.598 -9.233 1.00 0.00 N ATOM 740 CA CYS A 182 -2.118 4.154 -10.556 1.00 0.00 C ATOM 741 C CYS A 182 -2.686 5.570 -10.465 1.00 0.00 C ATOM 742 O CYS A 182 -2.592 6.348 -11.414 1.00 0.00 O ATOM 743 CB CYS A 182 -3.085 3.257 -11.327 1.00 0.00 C ATOM 744 SG CYS A 182 -2.630 1.507 -11.321 1.00 0.00 S ATOM 0 H CYS A 182 -2.699 3.414 -8.682 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.167 4.202 -11.087 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.082 3.364 -10.900 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.141 3.604 -12.359 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.509 0.828 -11.997 1.00 0.00 H new ATOM 749 N GLY A 183 -3.280 5.897 -9.321 1.00 0.00 N ATOM 750 CA GLY A 183 -3.853 7.216 -9.136 1.00 0.00 C ATOM 751 C GLY A 183 -5.334 7.254 -9.462 1.00 0.00 C ATOM 752 O GLY A 183 -6.112 7.908 -8.767 1.00 0.00 O ATOM 0 H GLY A 183 -3.374 5.272 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.703 7.533 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.326 7.930 -9.769 1.00 0.00 H new ATOM 756 N LYS A 184 -5.724 6.553 -10.522 1.00 0.00 N ATOM 757 CA LYS A 184 -7.121 6.509 -10.939 1.00 0.00 C ATOM 758 C LYS A 184 -7.960 5.692 -9.960 1.00 0.00 C ATOM 759 O LYS A 184 -7.470 5.262 -8.916 1.00 0.00 O ATOM 760 CB LYS A 184 -7.238 5.914 -12.344 1.00 0.00 C ATOM 761 CG LYS A 184 -6.348 6.600 -13.371 1.00 0.00 C ATOM 762 CD LYS A 184 -7.145 7.080 -14.575 1.00 0.00 C ATOM 763 CE LYS A 184 -6.715 8.469 -15.013 1.00 0.00 C ATOM 764 NZ LYS A 184 -5.728 8.421 -16.127 1.00 0.00 N ATOM 0 H LYS A 184 -5.092 6.008 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.500 7.531 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -6.983 4.855 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.275 5.980 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.844 7.448 -12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -5.572 5.909 -13.700 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.014 6.381 -15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -8.207 7.088 -14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -7.590 9.037 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -6.280 8.998 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -5.461 9.389 -16.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -4.882 7.901 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -6.151 7.939 -16.945 1.00 0.00 H new ATOM 778 N PHE A 185 -9.226 5.484 -10.306 1.00 0.00 N ATOM 779 CA PHE A 185 -10.135 4.719 -9.461 1.00 0.00 C ATOM 780 C PHE A 185 -10.278 3.288 -9.971 1.00 0.00 C ATOM 781 O PHE A 185 -10.178 3.035 -11.172 1.00 0.00 O ATOM 782 CB PHE A 185 -11.507 5.395 -9.410 1.00 0.00 C ATOM 783 CG PHE A 185 -11.538 6.625 -8.548 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.164 6.560 -7.215 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.941 7.844 -9.070 1.00 0.00 C ATOM 786 CE1 PHE A 185 -11.190 7.690 -6.420 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.970 8.976 -8.278 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.594 8.900 -6.950 1.00 0.00 C ATOM 0 H PHE A 185 -9.646 5.835 -11.167 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.716 4.686 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.809 5.663 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.241 4.681 -9.037 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.849 5.617 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.236 7.910 -10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.894 7.627 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.286 9.920 -8.697 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.616 9.783 -6.329 1.00 0.00 H new ATOM 798 N HIS A 186 -10.514 2.357 -9.052 1.00 0.00 N ATOM 799 CA HIS A 186 -10.670 0.951 -9.411 1.00 0.00 C ATOM 800 C HIS A 186 -11.893 0.347 -8.731 1.00 0.00 C ATOM 801 O HIS A 186 -12.598 1.024 -7.983 1.00 0.00 O ATOM 802 CB HIS A 186 -9.418 0.163 -9.028 1.00 0.00 C ATOM 803 CG HIS A 186 -8.231 0.472 -9.886 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.337 1.000 -11.156 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.905 0.327 -9.651 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.128 1.165 -11.665 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.243 0.765 -10.773 1.00 0.00 N ATOM 0 H HIS A 186 -10.601 2.550 -8.054 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.812 0.892 -10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -9.169 0.375 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.635 -0.903 -9.093 1.00 0.00 H new ATOM 0 HD1 HIS A 186 -9.212 1.228 -11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.452 -0.060 -8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -6.903 1.560 -12.645 1.00 0.00 H new ATOM 815 N LEU A 187 -12.139 -0.932 -8.995 1.00 0.00 N ATOM 816 CA LEU A 187 -13.279 -1.630 -8.408 1.00 0.00 C ATOM 817 C LEU A 187 -12.898 -2.275 -7.079 1.00 0.00 C ATOM 818 O LEU A 187 -11.781 -2.768 -6.915 1.00 0.00 O ATOM 819 CB LEU A 187 -13.806 -2.692 -9.377 1.00 0.00 C ATOM 820 CG LEU A 187 -15.035 -2.276 -10.188 1.00 0.00 C ATOM 821 CD1 LEU A 187 -16.181 -1.898 -9.264 1.00 0.00 C ATOM 822 CD2 LEU A 187 -14.693 -1.121 -11.116 1.00 0.00 C ATOM 0 H LEU A 187 -11.565 -1.507 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.065 -0.899 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.007 -2.960 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.051 -3.590 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.351 -3.124 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -17.046 -1.605 -9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -16.442 -2.753 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.878 -1.065 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -15.578 -0.837 -11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -14.352 -0.270 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -13.903 -1.427 -11.802 1.00 0.00 H new ATOM 834 N LEU A 188 -13.832 -2.267 -6.133 1.00 0.00 N ATOM 835 CA LEU A 188 -13.594 -2.850 -4.818 1.00 0.00 C ATOM 836 C LEU A 188 -13.579 -4.384 -4.865 1.00 0.00 C ATOM 837 O LEU A 188 -12.757 -5.011 -4.199 1.00 0.00 O ATOM 838 CB LEU A 188 -14.644 -2.358 -3.815 1.00 0.00 C ATOM 839 CG LEU A 188 -14.087 -1.535 -2.652 1.00 0.00 C ATOM 840 CD1 LEU A 188 -15.220 -0.951 -1.822 1.00 0.00 C ATOM 841 CD2 LEU A 188 -13.172 -2.387 -1.787 1.00 0.00 C ATOM 0 H LEU A 188 -14.761 -1.863 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.607 -2.522 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.380 -1.756 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.172 -3.222 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.502 -0.711 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -14.805 -0.369 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -15.835 -0.306 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.832 -1.759 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -12.785 -1.785 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -13.733 -3.232 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -12.342 -2.756 -2.389 1.00 0.00 H new ATOM 853 N PRO A 189 -14.481 -5.023 -5.645 1.00 0.00 N ATOM 854 CA PRO A 189 -14.523 -6.487 -5.733 1.00 0.00 C ATOM 855 C PRO A 189 -13.320 -7.062 -6.475 1.00 0.00 C ATOM 856 O PRO A 189 -13.017 -8.250 -6.356 1.00 0.00 O ATOM 857 CB PRO A 189 -15.813 -6.764 -6.509 1.00 0.00 C ATOM 858 CG PRO A 189 -16.039 -5.534 -7.316 1.00 0.00 C ATOM 859 CD PRO A 189 -15.517 -4.392 -6.489 1.00 0.00 C ATOM 0 HA PRO A 189 -14.496 -6.952 -4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.711 -7.643 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.648 -6.954 -5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.518 -5.593 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -17.098 -5.402 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.100 -3.602 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.305 -3.940 -5.887 1.00 0.00 H new ATOM 867 N ASP A 190 -12.637 -6.216 -7.240 1.00 0.00 N ATOM 868 CA ASP A 190 -11.467 -6.648 -7.997 1.00 0.00 C ATOM 869 C ASP A 190 -10.180 -6.291 -7.259 1.00 0.00 C ATOM 870 O ASP A 190 -9.153 -6.015 -7.879 1.00 0.00 O ATOM 871 CB ASP A 190 -11.468 -6.005 -9.385 1.00 0.00 C ATOM 872 CG ASP A 190 -10.585 -6.752 -10.367 1.00 0.00 C ATOM 873 OD1 ASP A 190 -9.597 -7.372 -9.924 1.00 0.00 O ATOM 874 OD2 ASP A 190 -10.884 -6.714 -11.580 1.00 0.00 O ATOM 0 H ASP A 190 -12.873 -5.230 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.514 -7.732 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.488 -5.974 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -11.126 -4.973 -9.305 1.00 0.00 H new