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 -139:sc= -0.47 USER MOD Set 1.2: A 182 CYS SG : rot -170:sc= 0.0552 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -2.3 K(o=-2.7,f=-1.1) USER MOD Set 2.1: A 138 CYS SG : rot -95:sc= -2.13! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot -46:sc= -0.867 USER MOD Set 2.4: A 163 CYS SG : rot 146:sc= -1.03 USER MOD Single : A 139 GLN : amide:sc= -1.67 X(o=-1.7,f=-2) USER MOD Single : A 148 SER OG : rot 107:sc= 1.01 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 154 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-4.5!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.7!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 167 SER OG : rot 126:sc= -0.0787! USER MOD Single : A 175 ASN : amide:sc= -1.01 K(o=-1,f=-5.3!) USER MOD Single : A 176 LYS NZ :NH3+ 140:sc= -0.27 (180deg=-0.611) USER MOD Single : A 178 TYR OH : rot -78:sc= 0.567! USER MOD Single : A 180 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.047) 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 -7.839 20.363 -11.880 1.00 0.00 N ATOM 18 CA ALA A 136 -8.067 19.434 -10.780 1.00 0.00 C ATOM 19 C ALA A 136 -9.452 19.632 -10.173 1.00 0.00 C ATOM 20 O ALA A 136 -9.770 20.705 -9.662 1.00 0.00 O ATOM 21 CB ALA A 136 -6.990 19.605 -9.717 1.00 0.00 C ATOM 0 HA ALA A 136 -8.016 18.419 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.171 18.906 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.012 19.407 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.016 20.625 -9.334 1.00 0.00 H new ATOM 27 N ARG A 137 -10.274 18.590 -10.237 1.00 0.00 N ATOM 28 CA ARG A 137 -11.629 18.651 -9.698 1.00 0.00 C ATOM 29 C ARG A 137 -12.182 17.249 -9.448 1.00 0.00 C ATOM 30 O ARG A 137 -12.309 16.450 -10.377 1.00 0.00 O ATOM 31 CB ARG A 137 -12.543 19.411 -10.665 1.00 0.00 C ATOM 32 CG ARG A 137 -14.002 19.434 -10.240 1.00 0.00 C ATOM 33 CD ARG A 137 -14.500 20.854 -10.019 1.00 0.00 C ATOM 34 NE ARG A 137 -15.732 20.885 -9.236 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.940 20.646 -9.743 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.082 20.359 -11.030 1.00 0.00 N ATOM 37 NH2 ARG A 137 -18.009 20.695 -8.958 1.00 0.00 N ATOM 0 H ARG A 137 -10.027 17.694 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.595 19.179 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.185 20.436 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.469 18.957 -11.653 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.611 18.949 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.123 18.859 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.731 21.433 -9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.671 21.333 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.663 21.103 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.263 20.320 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.010 20.177 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -17.905 20.916 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -18.935 20.512 -9.345 1.00 0.00 H new ATOM 51 N CYS A 138 -12.517 16.958 -8.194 1.00 0.00 N ATOM 52 CA CYS A 138 -13.064 15.653 -7.841 1.00 0.00 C ATOM 53 C CYS A 138 -14.378 15.416 -8.575 1.00 0.00 C ATOM 54 O CYS A 138 -15.436 15.873 -8.139 1.00 0.00 O ATOM 55 CB CYS A 138 -13.277 15.543 -6.330 1.00 0.00 C ATOM 56 SG CYS A 138 -13.608 13.858 -5.762 1.00 0.00 S ATOM 0 H CYS A 138 -12.420 17.604 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.347 14.889 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.392 15.922 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.110 16.184 -6.042 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.892 13.671 -5.684 1.00 0.00 H new ATOM 61 N GLN A 139 -14.293 14.713 -9.702 1.00 0.00 N ATOM 62 CA GLN A 139 -15.469 14.426 -10.522 1.00 0.00 C ATOM 63 C GLN A 139 -16.181 13.147 -10.085 1.00 0.00 C ATOM 64 O GLN A 139 -16.636 12.367 -10.920 1.00 0.00 O ATOM 65 CB GLN A 139 -15.068 14.314 -11.996 1.00 0.00 C ATOM 66 CG GLN A 139 -13.988 13.276 -12.266 1.00 0.00 C ATOM 67 CD GLN A 139 -14.559 11.914 -12.605 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.449 11.792 -13.446 1.00 0.00 O ATOM 69 NE2 GLN A 139 -14.046 10.878 -11.949 1.00 0.00 N ATOM 0 H GLN A 139 -13.421 14.331 -10.069 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.165 15.254 -10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.951 14.066 -12.584 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.718 15.287 -12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.359 13.617 -13.089 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.346 13.189 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.309 11.025 -11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.389 9.936 -12.135 1.00 0.00 H new ATOM 78 N VAL A 140 -16.297 12.940 -8.777 1.00 0.00 N ATOM 79 CA VAL A 140 -16.977 11.760 -8.259 1.00 0.00 C ATOM 80 C VAL A 140 -18.466 12.052 -8.063 1.00 0.00 C ATOM 81 O VAL A 140 -18.831 13.089 -7.513 1.00 0.00 O ATOM 82 CB VAL A 140 -16.366 11.293 -6.924 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.997 9.985 -6.473 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.857 11.148 -7.051 1.00 0.00 C ATOM 0 H VAL A 140 -15.932 13.569 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.851 10.962 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.575 12.049 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.551 9.673 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.070 10.126 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.823 9.218 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.442 10.817 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.626 10.413 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.421 12.109 -7.323 1.00 0.00 H new ATOM 94 N PRO A 141 -19.349 11.144 -8.516 1.00 0.00 N ATOM 95 CA PRO A 141 -20.798 11.324 -8.389 1.00 0.00 C ATOM 96 C PRO A 141 -21.211 11.722 -6.976 1.00 0.00 C ATOM 97 O PRO A 141 -21.711 12.825 -6.752 1.00 0.00 O ATOM 98 CB PRO A 141 -21.380 9.948 -8.753 1.00 0.00 C ATOM 99 CG PRO A 141 -20.209 9.024 -8.867 1.00 0.00 C ATOM 100 CD PRO A 141 -19.021 9.884 -9.187 1.00 0.00 C ATOM 0 HA PRO A 141 -21.159 12.128 -9.030 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -22.076 9.604 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.934 9.994 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -20.054 8.477 -7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.374 8.283 -9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.094 9.452 -8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.895 10.018 -10.261 1.00 0.00 H new ATOM 108 N ASP A 142 -20.999 10.819 -6.026 1.00 0.00 N ATOM 109 CA ASP A 142 -21.351 11.076 -4.635 1.00 0.00 C ATOM 110 C ASP A 142 -20.475 12.172 -4.032 1.00 0.00 C ATOM 111 O ASP A 142 -20.808 12.737 -2.991 1.00 0.00 O ATOM 112 CB ASP A 142 -21.218 9.793 -3.811 1.00 0.00 C ATOM 113 CG ASP A 142 -19.797 9.262 -3.787 1.00 0.00 C ATOM 114 OD1 ASP A 142 -18.915 9.892 -4.410 1.00 0.00 O ATOM 115 OD2 ASP A 142 -19.565 8.217 -3.144 1.00 0.00 O ATOM 0 H ASP A 142 -20.585 9.902 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.386 11.417 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.548 9.985 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.880 9.031 -4.222 1.00 0.00 H new ATOM 120 N CYS A 143 -19.351 12.469 -4.682 1.00 0.00 N ATOM 121 CA CYS A 143 -18.439 13.498 -4.188 1.00 0.00 C ATOM 122 C CYS A 143 -17.958 14.409 -5.315 1.00 0.00 C ATOM 123 O CYS A 143 -16.897 14.189 -5.898 1.00 0.00 O ATOM 124 CB CYS A 143 -17.238 12.850 -3.497 1.00 0.00 C ATOM 125 SG CYS A 143 -16.143 14.026 -2.667 1.00 0.00 S ATOM 0 H CYS A 143 -19.052 12.015 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.986 14.109 -3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.599 12.127 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.663 12.294 -4.237 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.159 13.384 -2.111 1.00 0.00 H new ATOM 130 N GLU A 144 -18.744 15.442 -5.608 1.00 0.00 N ATOM 131 CA GLU A 144 -18.391 16.397 -6.652 1.00 0.00 C ATOM 132 C GLU A 144 -17.694 17.607 -6.042 1.00 0.00 C ATOM 133 O GLU A 144 -18.282 18.682 -5.921 1.00 0.00 O ATOM 134 CB GLU A 144 -19.642 16.839 -7.417 1.00 0.00 C ATOM 135 CG GLU A 144 -19.951 15.977 -8.629 1.00 0.00 C ATOM 136 CD GLU A 144 -20.994 16.598 -9.537 1.00 0.00 C ATOM 137 OE1 GLU A 144 -22.200 16.373 -9.297 1.00 0.00 O ATOM 138 OE2 GLU A 144 -20.607 17.311 -10.487 1.00 0.00 O ATOM 0 H GLU A 144 -19.628 15.638 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.709 15.912 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.497 16.820 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.514 17.872 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.034 15.811 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -20.301 15.000 -8.295 1.00 0.00 H new ATOM 145 N ALA A 145 -16.440 17.419 -5.645 1.00 0.00 N ATOM 146 CA ALA A 145 -15.664 18.489 -5.029 1.00 0.00 C ATOM 147 C ALA A 145 -14.892 19.295 -6.067 1.00 0.00 C ATOM 148 O ALA A 145 -14.587 18.803 -7.153 1.00 0.00 O ATOM 149 CB ALA A 145 -14.709 17.913 -3.992 1.00 0.00 C ATOM 0 H ALA A 145 -15.939 16.535 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.363 19.166 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -14.134 18.721 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -15.279 17.395 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -14.029 17.210 -4.474 1.00 0.00 H new ATOM 155 N ASP A 146 -14.571 20.537 -5.717 1.00 0.00 N ATOM 156 CA ASP A 146 -13.827 21.420 -6.606 1.00 0.00 C ATOM 157 C ASP A 146 -12.420 21.660 -6.068 1.00 0.00 C ATOM 158 O ASP A 146 -12.169 22.646 -5.376 1.00 0.00 O ATOM 159 CB ASP A 146 -14.557 22.754 -6.771 1.00 0.00 C ATOM 160 CG ASP A 146 -14.004 23.580 -7.916 1.00 0.00 C ATOM 161 OD1 ASP A 146 -13.032 24.329 -7.690 1.00 0.00 O ATOM 162 OD2 ASP A 146 -14.546 23.476 -9.036 1.00 0.00 O ATOM 0 H ASP A 146 -14.816 20.955 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.752 20.937 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.617 22.566 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.479 23.324 -5.845 1.00 0.00 H new ATOM 167 N ILE A 147 -11.506 20.750 -6.390 1.00 0.00 N ATOM 168 CA ILE A 147 -10.126 20.856 -5.935 1.00 0.00 C ATOM 169 C ILE A 147 -9.253 21.562 -6.970 1.00 0.00 C ATOM 170 O ILE A 147 -8.117 21.159 -7.217 1.00 0.00 O ATOM 171 CB ILE A 147 -9.530 19.466 -5.639 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.694 18.549 -6.851 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.189 18.855 -4.410 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.532 17.600 -7.050 1.00 0.00 C ATOM 0 H ILE A 147 -11.698 19.930 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.139 21.445 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.465 19.580 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.611 17.970 -6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.812 19.160 -7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.756 17.874 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.023 19.502 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.260 18.751 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.715 16.979 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.616 18.172 -7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.427 16.964 -6.171 1.00 0.00 H new ATOM 186 N SER A 148 -9.791 22.619 -7.570 1.00 0.00 N ATOM 187 CA SER A 148 -9.058 23.379 -8.577 1.00 0.00 C ATOM 188 C SER A 148 -7.816 24.030 -7.973 1.00 0.00 C ATOM 189 O SER A 148 -6.814 24.230 -8.660 1.00 0.00 O ATOM 190 CB SER A 148 -9.960 24.448 -9.194 1.00 0.00 C ATOM 191 OG SER A 148 -11.167 23.882 -9.675 1.00 0.00 O ATOM 0 H SER A 148 -10.730 22.968 -7.377 1.00 0.00 H new ATOM 0 HA SER A 148 -8.739 22.688 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 148 -10.184 25.212 -8.450 1.00 0.00 H new ATOM 0 HB3 SER A 148 -9.436 24.943 -10.011 1.00 0.00 H new ATOM 0 HG SER A 148 -11.905 24.130 -9.080 1.00 0.00 H new ATOM 197 N GLU A 149 -7.890 24.360 -6.688 1.00 0.00 N ATOM 198 CA GLU A 149 -6.771 24.989 -5.996 1.00 0.00 C ATOM 199 C GLU A 149 -6.109 24.012 -5.027 1.00 0.00 C ATOM 200 O GLU A 149 -5.780 24.371 -3.896 1.00 0.00 O ATOM 201 CB GLU A 149 -7.247 26.234 -5.243 1.00 0.00 C ATOM 202 CG GLU A 149 -6.266 27.394 -5.307 1.00 0.00 C ATOM 203 CD GLU A 149 -5.371 27.469 -4.085 1.00 0.00 C ATOM 204 OE1 GLU A 149 -5.824 27.071 -2.992 1.00 0.00 O ATOM 205 OE2 GLU A 149 -4.216 27.926 -4.223 1.00 0.00 O ATOM 0 H GLU A 149 -8.712 24.203 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 149 -6.033 25.284 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -8.204 26.555 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.421 25.973 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -5.648 27.294 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -6.819 28.328 -5.405 1.00 0.00 H new ATOM 212 N LEU A 150 -5.920 22.777 -5.478 1.00 0.00 N ATOM 213 CA LEU A 150 -5.299 21.747 -4.653 1.00 0.00 C ATOM 214 C LEU A 150 -4.046 21.194 -5.326 1.00 0.00 C ATOM 215 O LEU A 150 -4.128 20.535 -6.363 1.00 0.00 O ATOM 216 CB LEU A 150 -6.292 20.615 -4.389 1.00 0.00 C ATOM 217 CG LEU A 150 -6.046 19.816 -3.109 1.00 0.00 C ATOM 218 CD1 LEU A 150 -6.260 20.690 -1.882 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.957 18.598 -3.063 1.00 0.00 C ATOM 0 H LEU A 150 -6.188 22.464 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.010 22.198 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.296 21.037 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.270 19.929 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.011 19.475 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -6.080 20.103 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.569 21.532 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.285 21.062 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.771 18.039 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.998 18.921 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.756 17.961 -3.924 1.00 0.00 H new ATOM 231 N LYS A 151 -2.891 21.467 -4.732 1.00 0.00 N ATOM 232 CA LYS A 151 -1.622 20.996 -5.276 1.00 0.00 C ATOM 233 C LYS A 151 -1.211 19.675 -4.632 1.00 0.00 C ATOM 234 O LYS A 151 -1.134 19.566 -3.409 1.00 0.00 O ATOM 235 CB LYS A 151 -0.530 22.045 -5.058 1.00 0.00 C ATOM 236 CG LYS A 151 -0.293 22.383 -3.594 1.00 0.00 C ATOM 237 CD LYS A 151 1.015 21.793 -3.089 1.00 0.00 C ATOM 238 CE LYS A 151 2.208 22.347 -3.851 1.00 0.00 C ATOM 239 NZ LYS A 151 3.378 22.579 -2.960 1.00 0.00 N ATOM 0 H LYS A 151 -2.806 22.012 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.751 20.833 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.401 21.684 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.800 22.955 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.278 23.466 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -1.120 22.004 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.127 22.011 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 151 0.989 20.708 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 151 2.487 21.652 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 151 1.928 23.284 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 4.170 22.957 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 3.120 23.262 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 3.662 21.681 -2.519 1.00 0.00 H new ATOM 253 N GLY A 152 -0.948 18.674 -5.467 1.00 0.00 N ATOM 254 CA GLY A 152 -0.549 17.374 -4.962 1.00 0.00 C ATOM 255 C GLY A 152 -0.770 16.267 -5.974 1.00 0.00 C ATOM 256 O GLY A 152 -0.982 16.532 -7.158 1.00 0.00 O ATOM 0 H GLY A 152 -1.004 18.741 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.505 17.403 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.112 17.151 -4.055 1.00 0.00 H new ATOM 260 N TYR A 153 -0.718 15.023 -5.508 1.00 0.00 N ATOM 261 CA TYR A 153 -0.913 13.871 -6.382 1.00 0.00 C ATOM 262 C TYR A 153 -2.374 13.746 -6.799 1.00 0.00 C ATOM 263 O TYR A 153 -2.679 13.487 -7.964 1.00 0.00 O ATOM 264 CB TYR A 153 -0.459 12.591 -5.678 1.00 0.00 C ATOM 265 CG TYR A 153 -1.205 12.308 -4.395 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.394 11.588 -4.405 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.720 12.759 -3.174 1.00 0.00 C ATOM 268 CE1 TYR A 153 -3.079 11.327 -3.233 1.00 0.00 C ATOM 269 CE2 TYR A 153 -1.399 12.501 -1.997 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.577 11.785 -2.033 1.00 0.00 C ATOM 271 OH TYR A 153 -3.257 11.526 -0.865 1.00 0.00 O ATOM 0 H TYR A 153 -0.543 14.787 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.311 14.018 -7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.588 11.748 -6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.606 12.665 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.789 11.227 -5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.202 13.320 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -4.002 10.767 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -1.009 12.858 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.770 11.916 -0.109 1.00 0.00 H new ATOM 281 N HIS A 154 -3.278 13.931 -5.840 1.00 0.00 N ATOM 282 CA HIS A 154 -4.710 13.841 -6.108 1.00 0.00 C ATOM 283 C HIS A 154 -5.146 14.888 -7.132 1.00 0.00 C ATOM 284 O HIS A 154 -6.208 14.764 -7.741 1.00 0.00 O ATOM 285 CB HIS A 154 -5.508 14.015 -4.813 1.00 0.00 C ATOM 286 CG HIS A 154 -5.012 15.126 -3.942 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.626 14.935 -2.630 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.840 16.445 -4.193 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.241 16.088 -2.114 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.359 17.019 -3.042 1.00 0.00 N ATOM 0 H HIS A 154 -3.044 14.144 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.911 12.852 -6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.553 14.201 -5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.476 13.082 -4.250 1.00 0.00 H new ATOM 0 HD1 HIS A 154 -4.637 14.042 -2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -5.043 16.952 -5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.889 16.243 -1.105 1.00 0.00 H new ATOM 298 N LYS A 155 -4.325 15.915 -7.316 1.00 0.00 N ATOM 299 CA LYS A 155 -4.632 16.978 -8.267 1.00 0.00 C ATOM 300 C LYS A 155 -4.648 16.444 -9.695 1.00 0.00 C ATOM 301 O LYS A 155 -5.503 16.817 -10.498 1.00 0.00 O ATOM 302 CB LYS A 155 -3.610 18.109 -8.144 1.00 0.00 C ATOM 303 CG LYS A 155 -3.913 19.304 -9.035 1.00 0.00 C ATOM 304 CD LYS A 155 -2.727 20.253 -9.115 1.00 0.00 C ATOM 305 CE LYS A 155 -1.829 19.925 -10.296 1.00 0.00 C ATOM 306 NZ LYS A 155 -2.305 20.567 -11.552 1.00 0.00 N ATOM 0 H LYS A 155 -3.442 16.035 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.624 17.366 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.571 18.441 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.622 17.723 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.171 18.957 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.782 19.837 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -3.086 21.278 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.151 20.195 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.813 20.256 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.790 18.844 -10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.665 20.318 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -3.265 20.232 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -2.318 21.600 -11.431 1.00 0.00 H new ATOM 320 N ARG A 156 -3.696 15.570 -10.006 1.00 0.00 N ATOM 321 CA ARG A 156 -3.596 14.985 -11.338 1.00 0.00 C ATOM 322 C ARG A 156 -4.396 13.687 -11.443 1.00 0.00 C ATOM 323 O ARG A 156 -4.015 12.775 -12.179 1.00 0.00 O ATOM 324 CB ARG A 156 -2.131 14.719 -11.690 1.00 0.00 C ATOM 325 CG ARG A 156 -1.880 14.575 -13.182 1.00 0.00 C ATOM 326 CD ARG A 156 -1.407 15.881 -13.795 1.00 0.00 C ATOM 327 NE ARG A 156 -2.518 16.782 -14.091 1.00 0.00 N ATOM 328 CZ ARG A 156 -2.366 18.022 -14.553 1.00 0.00 C ATOM 329 NH1 ARG A 156 -1.151 18.510 -14.773 1.00 0.00 N ATOM 330 NH2 ARG A 156 -3.430 18.774 -14.796 1.00 0.00 N ATOM 0 H ARG A 156 -2.981 15.251 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.016 15.700 -12.045 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.520 15.535 -11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.804 13.810 -11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -1.133 13.800 -13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -2.796 14.250 -13.676 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -0.714 16.372 -13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -0.856 15.672 -14.712 1.00 0.00 H new ATOM 0 HE ARG A 156 -3.467 16.441 -13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -0.329 17.935 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -1.039 19.460 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -4.365 18.403 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -3.313 19.724 -15.150 1.00 0.00 H new ATOM 344 N HIS A 157 -5.502 13.604 -10.711 1.00 0.00 N ATOM 345 CA HIS A 157 -6.340 12.411 -10.736 1.00 0.00 C ATOM 346 C HIS A 157 -7.813 12.756 -10.518 1.00 0.00 C ATOM 347 O HIS A 157 -8.614 11.890 -10.169 1.00 0.00 O ATOM 348 CB HIS A 157 -5.877 11.416 -9.670 1.00 0.00 C ATOM 349 CG HIS A 157 -4.708 10.584 -10.098 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.801 9.588 -11.048 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.413 10.603 -9.702 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.614 9.032 -11.217 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.755 9.629 -10.412 1.00 0.00 N ATOM 0 H HIS A 157 -5.838 14.345 -10.096 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.241 11.958 -11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.612 11.962 -8.765 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.707 10.758 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.978 11.262 -8.965 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.386 8.226 -11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.764 9.404 -10.331 1.00 0.00 H new ATOM 361 N ARG A 158 -8.165 14.024 -10.730 1.00 0.00 N ATOM 362 CA ARG A 158 -9.545 14.481 -10.560 1.00 0.00 C ATOM 363 C ARG A 158 -10.157 13.936 -9.269 1.00 0.00 C ATOM 364 O ARG A 158 -11.244 13.358 -9.278 1.00 0.00 O ATOM 365 CB ARG A 158 -10.392 14.060 -11.764 1.00 0.00 C ATOM 366 CG ARG A 158 -10.532 15.147 -12.819 1.00 0.00 C ATOM 367 CD ARG A 158 -9.826 14.770 -14.112 1.00 0.00 C ATOM 368 NE ARG A 158 -8.383 14.629 -13.927 1.00 0.00 N ATOM 369 CZ ARG A 158 -7.510 14.583 -14.931 1.00 0.00 C ATOM 370 NH1 ARG A 158 -7.926 14.668 -16.189 1.00 0.00 N ATOM 371 NH2 ARG A 158 -6.214 14.453 -14.677 1.00 0.00 N ATOM 0 H ARG A 158 -7.514 14.754 -11.020 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.533 15.569 -10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.945 13.177 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.384 13.772 -11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -11.588 15.325 -13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -10.118 16.080 -12.437 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.236 13.833 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -10.022 15.531 -14.867 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.024 14.562 -12.974 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -8.921 14.769 -16.392 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -7.251 14.632 -16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -5.887 14.388 -13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -5.545 14.418 -15.446 1.00 0.00 H new ATOM 385 N VAL A 159 -9.449 14.128 -8.161 1.00 0.00 N ATOM 386 CA VAL A 159 -9.917 13.658 -6.861 1.00 0.00 C ATOM 387 C VAL A 159 -9.475 14.602 -5.747 1.00 0.00 C ATOM 388 O VAL A 159 -8.390 15.179 -5.806 1.00 0.00 O ATOM 389 CB VAL A 159 -9.396 12.238 -6.559 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.875 12.214 -6.551 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.952 11.732 -5.236 1.00 0.00 C ATOM 0 H VAL A 159 -8.548 14.606 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 159 -11.006 13.635 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.741 11.572 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.528 11.203 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.501 12.526 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.504 12.895 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.572 10.729 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.642 12.399 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -11.041 11.705 -5.285 1.00 0.00 H new ATOM 401 N CYS A 160 -10.323 14.759 -4.734 1.00 0.00 N ATOM 402 CA CYS A 160 -10.014 15.636 -3.613 1.00 0.00 C ATOM 403 C CYS A 160 -9.190 14.904 -2.555 1.00 0.00 C ATOM 404 O CYS A 160 -9.111 13.675 -2.555 1.00 0.00 O ATOM 405 CB CYS A 160 -11.304 16.190 -2.995 1.00 0.00 C ATOM 406 SG CYS A 160 -12.250 14.992 -2.025 1.00 0.00 S ATOM 0 H CYS A 160 -11.227 14.291 -4.668 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.420 16.469 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -11.051 17.036 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.939 16.573 -3.794 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.348 13.878 -2.687 1.00 0.00 H new ATOM 411 N LEU A 161 -8.575 15.667 -1.656 1.00 0.00 N ATOM 412 CA LEU A 161 -7.755 15.093 -0.595 1.00 0.00 C ATOM 413 C LEU A 161 -8.571 14.145 0.281 1.00 0.00 C ATOM 414 O LEU A 161 -8.085 13.091 0.689 1.00 0.00 O ATOM 415 CB LEU A 161 -7.151 16.202 0.267 1.00 0.00 C ATOM 416 CG LEU A 161 -5.944 15.781 1.111 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.960 16.933 1.248 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.397 15.299 2.481 1.00 0.00 C ATOM 0 H LEU A 161 -8.629 16.685 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.953 14.523 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.852 17.024 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.924 16.586 0.932 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.439 14.958 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.109 16.615 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.612 17.234 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.452 17.777 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -5.528 15.003 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -6.925 16.103 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.063 14.444 2.364 1.00 0.00 H new ATOM 430 N ARG A 162 -9.811 14.529 0.567 1.00 0.00 N ATOM 431 CA ARG A 162 -10.693 13.714 1.399 1.00 0.00 C ATOM 432 C ARG A 162 -10.848 12.307 0.828 1.00 0.00 C ATOM 433 O ARG A 162 -10.973 11.336 1.573 1.00 0.00 O ATOM 434 CB ARG A 162 -12.065 14.379 1.524 1.00 0.00 C ATOM 435 CG ARG A 162 -12.987 13.686 2.518 1.00 0.00 C ATOM 436 CD ARG A 162 -13.294 14.578 3.710 1.00 0.00 C ATOM 437 NE ARG A 162 -13.444 13.810 4.944 1.00 0.00 N ATOM 438 CZ ARG A 162 -13.459 14.354 6.158 1.00 0.00 C ATOM 439 NH1 ARG A 162 -13.335 15.667 6.307 1.00 0.00 N ATOM 440 NH2 ARG A 162 -13.600 13.583 7.229 1.00 0.00 N ATOM 0 H ARG A 162 -10.229 15.399 0.236 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.240 13.633 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.931 15.417 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.544 14.393 0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -13.917 13.409 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.523 12.762 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -12.494 15.308 3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -14.209 15.138 3.518 1.00 0.00 H new ATOM 0 HE ARG A 162 -13.543 12.797 4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -13.227 16.265 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -13.347 16.078 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -13.697 12.573 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -13.611 14.000 8.160 1.00 0.00 H new ATOM 454 N CYS A 163 -10.839 12.205 -0.496 1.00 0.00 N ATOM 455 CA CYS A 163 -10.980 10.917 -1.163 1.00 0.00 C ATOM 456 C CYS A 163 -9.665 10.145 -1.144 1.00 0.00 C ATOM 457 O CYS A 163 -9.655 8.915 -1.121 1.00 0.00 O ATOM 458 CB CYS A 163 -11.447 11.116 -2.606 1.00 0.00 C ATOM 459 SG CYS A 163 -13.241 11.246 -2.791 1.00 0.00 S ATOM 0 H CYS A 163 -10.736 12.999 -1.128 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.727 10.337 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.985 12.019 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.090 10.282 -3.210 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.519 12.068 -3.759 1.00 0.00 H new ATOM 464 N ALA A 164 -8.554 10.877 -1.154 1.00 0.00 N ATOM 465 CA ALA A 164 -7.233 10.260 -1.138 1.00 0.00 C ATOM 466 C ALA A 164 -7.000 9.489 0.156 1.00 0.00 C ATOM 467 O ALA A 164 -6.486 8.371 0.141 1.00 0.00 O ATOM 468 CB ALA A 164 -6.155 11.317 -1.326 1.00 0.00 C ATOM 0 H ALA A 164 -8.543 11.897 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.181 9.552 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.174 10.842 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.301 11.820 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.217 12.047 -0.519 1.00 0.00 H new ATOM 474 N THR A 165 -7.383 10.093 1.277 1.00 0.00 N ATOM 475 CA THR A 165 -7.215 9.464 2.580 1.00 0.00 C ATOM 476 C THR A 165 -8.317 8.445 2.848 1.00 0.00 C ATOM 477 O THR A 165 -8.088 7.423 3.495 1.00 0.00 O ATOM 478 CB THR A 165 -7.212 10.508 3.713 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.353 11.365 3.591 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.940 11.341 3.678 1.00 0.00 C ATOM 0 H THR A 165 -7.812 11.018 1.308 1.00 0.00 H new ATOM 0 HA THR A 165 -6.251 8.955 2.561 1.00 0.00 H new ATOM 0 HB THR A 165 -7.255 9.979 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.345 12.025 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.961 12.071 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 165 -5.075 10.689 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.872 11.861 2.722 1.00 0.00 H new ATOM 488 N ALA A 166 -9.514 8.731 2.345 1.00 0.00 N ATOM 489 CA ALA A 166 -10.652 7.839 2.530 1.00 0.00 C ATOM 490 C ALA A 166 -10.373 6.463 1.937 1.00 0.00 C ATOM 491 O ALA A 166 -9.746 6.344 0.883 1.00 0.00 O ATOM 492 CB ALA A 166 -11.901 8.441 1.905 1.00 0.00 C ATOM 0 H ALA A 166 -9.720 9.573 1.807 1.00 0.00 H new ATOM 0 HA ALA A 166 -10.817 7.718 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.743 7.764 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.119 9.399 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.737 8.592 0.838 1.00 0.00 H new ATOM 498 N SER A 167 -10.842 5.422 2.618 1.00 0.00 N ATOM 499 CA SER A 167 -10.643 4.054 2.157 1.00 0.00 C ATOM 500 C SER A 167 -11.264 3.848 0.779 1.00 0.00 C ATOM 501 O SER A 167 -10.557 3.644 -0.207 1.00 0.00 O ATOM 502 CB SER A 167 -11.248 3.064 3.156 1.00 0.00 C ATOM 503 OG SER A 167 -12.625 3.328 3.366 1.00 0.00 O ATOM 0 H SER A 167 -11.363 5.501 3.492 1.00 0.00 H new ATOM 0 HA SER A 167 -9.570 3.875 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 167 -11.122 2.046 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 167 -10.714 3.127 4.104 1.00 0.00 H new ATOM 0 HG SER A 167 -13.143 2.513 3.200 1.00 0.00 H new ATOM 509 N PHE A 168 -12.591 3.902 0.720 1.00 0.00 N ATOM 510 CA PHE A 168 -13.310 3.723 -0.536 1.00 0.00 C ATOM 511 C PHE A 168 -14.410 4.768 -0.685 1.00 0.00 C ATOM 512 O PHE A 168 -14.819 5.398 0.290 1.00 0.00 O ATOM 513 CB PHE A 168 -13.911 2.319 -0.609 1.00 0.00 C ATOM 514 CG PHE A 168 -14.941 2.051 0.449 1.00 0.00 C ATOM 515 CD1 PHE A 168 -14.561 1.786 1.756 1.00 0.00 C ATOM 516 CD2 PHE A 168 -16.292 2.062 0.138 1.00 0.00 C ATOM 517 CE1 PHE A 168 -15.508 1.538 2.731 1.00 0.00 C ATOM 518 CE2 PHE A 168 -17.243 1.816 1.109 1.00 0.00 C ATOM 519 CZ PHE A 168 -16.850 1.553 2.409 1.00 0.00 C ATOM 0 H PHE A 168 -13.190 4.068 1.528 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.600 3.849 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.365 2.177 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.110 1.585 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -13.513 1.773 2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -16.605 2.265 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -15.198 1.332 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -18.292 1.829 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 168 -17.591 1.360 3.170 1.00 0.00 H new ATOM 529 N VAL A 169 -14.884 4.948 -1.915 1.00 0.00 N ATOM 530 CA VAL A 169 -15.938 5.918 -2.192 1.00 0.00 C ATOM 531 C VAL A 169 -17.105 5.268 -2.927 1.00 0.00 C ATOM 532 O VAL A 169 -16.919 4.323 -3.694 1.00 0.00 O ATOM 533 CB VAL A 169 -15.409 7.095 -3.031 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.386 7.899 -2.244 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.814 6.595 -4.339 1.00 0.00 C ATOM 0 H VAL A 169 -14.555 4.436 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.284 6.294 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.246 7.752 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.025 8.726 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -14.850 8.292 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.549 7.256 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.445 7.442 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -13.990 5.914 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.580 6.071 -4.910 1.00 0.00 H new ATOM 545 N VAL A 170 -18.307 5.779 -2.688 1.00 0.00 N ATOM 546 CA VAL A 170 -19.504 5.248 -3.329 1.00 0.00 C ATOM 547 C VAL A 170 -19.737 5.905 -4.686 1.00 0.00 C ATOM 548 O VAL A 170 -20.631 6.738 -4.841 1.00 0.00 O ATOM 549 CB VAL A 170 -20.752 5.456 -2.448 1.00 0.00 C ATOM 550 CG1 VAL A 170 -21.948 4.721 -3.033 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.481 5.000 -1.023 1.00 0.00 C ATOM 0 H VAL A 170 -18.479 6.560 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.342 4.179 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 170 -20.985 6.520 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -22.819 4.880 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.155 5.101 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.728 3.655 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.373 5.154 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.221 3.942 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.655 5.577 -0.607 1.00 0.00 H new ATOM 561 N LEU A 171 -18.925 5.525 -5.667 1.00 0.00 N ATOM 562 CA LEU A 171 -19.041 6.075 -7.012 1.00 0.00 C ATOM 563 C LEU A 171 -20.415 5.773 -7.606 1.00 0.00 C ATOM 564 O LEU A 171 -21.307 5.285 -6.913 1.00 0.00 O ATOM 565 CB LEU A 171 -17.940 5.512 -7.913 1.00 0.00 C ATOM 566 CG LEU A 171 -17.377 6.498 -8.943 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.011 7.006 -8.506 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.288 5.849 -10.316 1.00 0.00 C ATOM 0 H LEU A 171 -18.179 4.838 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.926 7.157 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.122 5.160 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.333 4.643 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.057 7.347 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.628 7.705 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.102 7.512 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.324 6.165 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.886 6.566 -11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.632 4.980 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.282 5.536 -10.635 1.00 0.00 H new ATOM 580 N ASP A 172 -20.580 6.072 -8.892 1.00 0.00 N ATOM 581 CA ASP A 172 -21.848 5.838 -9.578 1.00 0.00 C ATOM 582 C ASP A 172 -22.287 4.382 -9.446 1.00 0.00 C ATOM 583 O ASP A 172 -21.935 3.540 -10.271 1.00 0.00 O ATOM 584 CB ASP A 172 -21.727 6.212 -11.056 1.00 0.00 C ATOM 585 CG ASP A 172 -23.066 6.564 -11.675 1.00 0.00 C ATOM 586 OD1 ASP A 172 -24.093 6.025 -11.212 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.087 7.376 -12.622 1.00 0.00 O ATOM 0 H ASP A 172 -19.852 6.477 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.604 6.467 -9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.048 7.059 -11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.284 5.380 -11.603 1.00 0.00 H new ATOM 592 N GLY A 173 -23.063 4.095 -8.404 1.00 0.00 N ATOM 593 CA GLY A 173 -23.545 2.742 -8.182 1.00 0.00 C ATOM 594 C GLY A 173 -22.428 1.717 -8.169 1.00 0.00 C ATOM 595 O GLY A 173 -22.645 0.549 -8.489 1.00 0.00 O ATOM 0 H GLY A 173 -23.367 4.776 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.080 2.702 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.261 2.483 -8.962 1.00 0.00 H new ATOM 599 N GLU A 174 -21.229 2.154 -7.798 1.00 0.00 N ATOM 600 CA GLU A 174 -20.076 1.264 -7.745 1.00 0.00 C ATOM 601 C GLU A 174 -19.007 1.814 -6.806 1.00 0.00 C ATOM 602 O GLU A 174 -18.512 2.926 -6.995 1.00 0.00 O ATOM 603 CB GLU A 174 -19.490 1.069 -9.145 1.00 0.00 C ATOM 604 CG GLU A 174 -20.316 0.146 -10.026 1.00 0.00 C ATOM 605 CD GLU A 174 -19.618 -0.197 -11.328 1.00 0.00 C ATOM 606 OE1 GLU A 174 -19.712 0.605 -12.280 1.00 0.00 O ATOM 607 OE2 GLU A 174 -18.979 -1.268 -11.394 1.00 0.00 O ATOM 0 H GLU A 174 -21.031 3.118 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.410 0.300 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.402 2.040 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.481 0.665 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.532 -0.773 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -21.273 0.619 -10.245 1.00 0.00 H new ATOM 614 N ASN A 175 -18.654 1.029 -5.795 1.00 0.00 N ATOM 615 CA ASN A 175 -17.642 1.437 -4.827 1.00 0.00 C ATOM 616 C ASN A 175 -16.243 1.330 -5.426 1.00 0.00 C ATOM 617 O ASN A 175 -15.752 0.233 -5.693 1.00 0.00 O ATOM 618 CB ASN A 175 -17.737 0.576 -3.566 1.00 0.00 C ATOM 619 CG ASN A 175 -18.933 0.940 -2.707 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.321 2.105 -2.623 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.525 -0.060 -2.064 1.00 0.00 N ATOM 0 H ASN A 175 -19.053 0.106 -5.624 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.826 2.478 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.803 -0.474 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -16.824 0.691 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.335 0.123 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.170 -1.011 -2.162 1.00 0.00 H new ATOM 628 N LYS A 176 -15.607 2.478 -5.636 1.00 0.00 N ATOM 629 CA LYS A 176 -14.266 2.514 -6.205 1.00 0.00 C ATOM 630 C LYS A 176 -13.220 2.761 -5.121 1.00 0.00 C ATOM 631 O LYS A 176 -13.460 3.506 -4.172 1.00 0.00 O ATOM 632 CB LYS A 176 -14.171 3.603 -7.275 1.00 0.00 C ATOM 633 CG LYS A 176 -15.063 3.350 -8.480 1.00 0.00 C ATOM 634 CD LYS A 176 -14.267 2.827 -9.664 1.00 0.00 C ATOM 635 CE LYS A 176 -14.860 3.293 -10.984 1.00 0.00 C ATOM 636 NZ LYS A 176 -16.191 2.678 -11.244 1.00 0.00 N ATOM 0 H LYS A 176 -15.999 3.395 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.069 1.545 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.438 4.562 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.137 3.683 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.838 2.631 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.568 4.274 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -13.234 3.167 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -14.247 1.738 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.958 4.379 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -14.179 3.041 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -16.827 3.389 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -16.083 1.882 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -16.595 2.333 -10.350 1.00 0.00 H new ATOM 650 N ARG A 177 -12.060 2.132 -5.273 1.00 0.00 N ATOM 651 CA ARG A 177 -10.976 2.284 -4.310 1.00 0.00 C ATOM 652 C ARG A 177 -9.771 2.960 -4.956 1.00 0.00 C ATOM 653 O ARG A 177 -9.229 2.469 -5.946 1.00 0.00 O ATOM 654 CB ARG A 177 -10.570 0.921 -3.748 1.00 0.00 C ATOM 655 CG ARG A 177 -10.168 0.962 -2.281 1.00 0.00 C ATOM 656 CD ARG A 177 -10.882 -0.109 -1.474 1.00 0.00 C ATOM 657 NE ARG A 177 -10.235 -0.348 -0.185 1.00 0.00 N ATOM 658 CZ ARG A 177 -10.777 -1.068 0.795 1.00 0.00 C ATOM 659 NH1 ARG A 177 -11.974 -1.620 0.638 1.00 0.00 N ATOM 660 NH2 ARG A 177 -10.121 -1.236 1.935 1.00 0.00 N ATOM 0 H ARG A 177 -11.846 1.512 -6.054 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.331 2.913 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.400 0.225 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.738 0.529 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -9.090 0.825 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.399 1.944 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -11.917 0.191 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -10.906 -1.037 -2.045 1.00 0.00 H new ATOM 0 HE ARG A 177 -9.314 0.061 -0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -12.483 -1.494 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -12.385 -2.171 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -9.201 -0.814 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -10.536 -1.788 2.686 1.00 0.00 H new ATOM 674 N TYR A 178 -9.357 4.088 -4.389 1.00 0.00 N ATOM 675 CA TYR A 178 -8.217 4.831 -4.912 1.00 0.00 C ATOM 676 C TYR A 178 -6.955 3.973 -4.905 1.00 0.00 C ATOM 677 O TYR A 178 -6.399 3.676 -3.847 1.00 0.00 O ATOM 678 CB TYR A 178 -7.987 6.102 -4.092 1.00 0.00 C ATOM 679 CG TYR A 178 -6.831 6.942 -4.585 1.00 0.00 C ATOM 680 CD1 TYR A 178 -5.518 6.560 -4.341 1.00 0.00 C ATOM 681 CD2 TYR A 178 -7.052 8.115 -5.297 1.00 0.00 C ATOM 682 CE1 TYR A 178 -4.458 7.323 -4.791 1.00 0.00 C ATOM 683 CE2 TYR A 178 -5.996 8.884 -5.748 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.701 8.484 -5.493 1.00 0.00 C ATOM 685 OH TYR A 178 -3.649 9.247 -5.944 1.00 0.00 O ATOM 0 H TYR A 178 -9.794 4.507 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.441 5.107 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.895 6.704 -4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.807 5.826 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -5.323 5.652 -3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -8.065 8.430 -5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -3.443 7.011 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -6.184 9.794 -6.298 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.287 9.776 -5.203 1.00 0.00 H new ATOM 695 N CYS A 179 -6.509 3.578 -6.093 1.00 0.00 N ATOM 696 CA CYS A 179 -5.313 2.755 -6.227 1.00 0.00 C ATOM 697 C CYS A 179 -4.055 3.588 -6.002 1.00 0.00 C ATOM 698 O CYS A 179 -3.764 4.506 -6.765 1.00 0.00 O ATOM 699 CB CYS A 179 -5.272 2.109 -7.612 1.00 0.00 C ATOM 700 SG CYS A 179 -4.015 0.822 -7.794 1.00 0.00 S ATOM 0 H CYS A 179 -6.959 3.815 -6.977 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.348 1.973 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.250 1.679 -7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.092 2.884 -8.357 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.445 0.934 -8.957 1.00 0.00 H new ATOM 705 N GLN A 180 -3.316 3.262 -4.949 1.00 0.00 N ATOM 706 CA GLN A 180 -2.090 3.985 -4.621 1.00 0.00 C ATOM 707 C GLN A 180 -0.965 3.660 -5.607 1.00 0.00 C ATOM 708 O GLN A 180 0.100 4.275 -5.562 1.00 0.00 O ATOM 709 CB GLN A 180 -1.644 3.648 -3.198 1.00 0.00 C ATOM 710 CG GLN A 180 -2.720 3.888 -2.151 1.00 0.00 C ATOM 711 CD GLN A 180 -2.267 4.829 -1.051 1.00 0.00 C ATOM 712 OE1 GLN A 180 -2.455 4.555 0.134 1.00 0.00 O ATOM 713 NE2 GLN A 180 -1.665 5.947 -1.440 1.00 0.00 N ATOM 0 H GLN A 180 -3.542 2.503 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.305 5.051 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.338 2.602 -3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.767 4.246 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -3.606 4.300 -2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.012 2.935 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -1.530 6.134 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -1.338 6.618 -0.745 1.00 0.00 H new ATOM 722 N GLN A 181 -1.200 2.692 -6.489 1.00 0.00 N ATOM 723 CA GLN A 181 -0.193 2.297 -7.470 1.00 0.00 C ATOM 724 C GLN A 181 -0.407 3.001 -8.808 1.00 0.00 C ATOM 725 O GLN A 181 0.532 3.171 -9.585 1.00 0.00 O ATOM 726 CB GLN A 181 -0.221 0.781 -7.672 1.00 0.00 C ATOM 727 CG GLN A 181 0.635 0.018 -6.672 1.00 0.00 C ATOM 728 CD GLN A 181 1.430 -1.099 -7.318 1.00 0.00 C ATOM 729 OE1 GLN A 181 2.357 -0.853 -8.089 1.00 0.00 O ATOM 730 NE2 GLN A 181 1.071 -2.339 -7.005 1.00 0.00 N ATOM 0 H GLN A 181 -2.074 2.169 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 181 0.781 2.595 -7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.251 0.432 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 181 0.121 0.551 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.320 0.711 -6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 181 -0.005 -0.399 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.296 -2.498 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.570 -3.132 -7.409 1.00 0.00 H new ATOM 739 N CYS A 182 -1.647 3.406 -9.079 1.00 0.00 N ATOM 740 CA CYS A 182 -1.967 4.083 -10.332 1.00 0.00 C ATOM 741 C CYS A 182 -2.534 5.479 -10.085 1.00 0.00 C ATOM 742 O CYS A 182 -2.375 6.377 -10.911 1.00 0.00 O ATOM 743 CB CYS A 182 -2.965 3.254 -11.142 1.00 0.00 C ATOM 744 SG CYS A 182 -2.474 1.531 -11.380 1.00 0.00 S ATOM 0 H CYS A 182 -2.441 3.278 -8.451 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.041 4.188 -10.897 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -3.932 3.279 -10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.100 3.720 -12.118 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.266 0.969 -12.244 1.00 0.00 H new ATOM 749 N GLY A 183 -3.197 5.656 -8.947 1.00 0.00 N ATOM 750 CA GLY A 183 -3.777 6.943 -8.620 1.00 0.00 C ATOM 751 C GLY A 183 -5.238 7.038 -9.017 1.00 0.00 C ATOM 752 O GLY A 183 -6.057 7.574 -8.272 1.00 0.00 O ATOM 0 H GLY A 183 -3.342 4.930 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.683 7.119 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.215 7.730 -9.123 1.00 0.00 H new ATOM 756 N LYS A 184 -5.562 6.513 -10.193 1.00 0.00 N ATOM 757 CA LYS A 184 -6.934 6.537 -10.690 1.00 0.00 C ATOM 758 C LYS A 184 -7.850 5.708 -9.796 1.00 0.00 C ATOM 759 O LYS A 184 -7.414 5.153 -8.787 1.00 0.00 O ATOM 760 CB LYS A 184 -6.988 6.010 -12.126 1.00 0.00 C ATOM 761 CG LYS A 184 -6.213 4.719 -12.331 1.00 0.00 C ATOM 762 CD LYS A 184 -6.767 3.915 -13.496 1.00 0.00 C ATOM 763 CE LYS A 184 -6.566 4.639 -14.817 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.934 3.786 -15.980 1.00 0.00 N ATOM 0 H LYS A 184 -4.894 6.065 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.281 7.570 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -8.029 5.847 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -6.593 6.772 -12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.163 4.949 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.255 4.120 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -6.276 2.942 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -7.830 3.730 -13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -7.168 5.547 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.524 4.946 -14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -6.782 4.317 -16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.342 2.931 -15.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -7.935 3.514 -15.908 1.00 0.00 H new ATOM 778 N PHE A 185 -9.124 5.629 -10.171 1.00 0.00 N ATOM 779 CA PHE A 185 -10.102 4.869 -9.401 1.00 0.00 C ATOM 780 C PHE A 185 -10.296 3.474 -9.987 1.00 0.00 C ATOM 781 O PHE A 185 -10.484 3.316 -11.193 1.00 0.00 O ATOM 782 CB PHE A 185 -11.441 5.609 -9.363 1.00 0.00 C ATOM 783 CG PHE A 185 -11.430 6.826 -8.482 1.00 0.00 C ATOM 784 CD1 PHE A 185 -10.949 6.754 -7.185 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.900 8.043 -8.953 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.936 7.872 -6.373 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.890 9.164 -8.146 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.408 9.078 -6.853 1.00 0.00 C ATOM 0 H PHE A 185 -9.502 6.082 -11.003 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.722 4.766 -8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.711 5.906 -10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.215 4.925 -9.014 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.580 5.813 -6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.278 8.115 -9.962 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.557 7.803 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.258 10.106 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.401 9.953 -6.219 1.00 0.00 H new ATOM 798 N HIS A 186 -10.250 2.463 -9.123 1.00 0.00 N ATOM 799 CA HIS A 186 -10.423 1.080 -9.552 1.00 0.00 C ATOM 800 C HIS A 186 -11.695 0.483 -8.957 1.00 0.00 C ATOM 801 O HIS A 186 -12.362 1.111 -8.135 1.00 0.00 O ATOM 802 CB HIS A 186 -9.215 0.239 -9.138 1.00 0.00 C ATOM 803 CG HIS A 186 -8.028 0.402 -10.037 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.126 0.794 -11.355 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.707 0.224 -9.796 1.00 0.00 C ATOM 806 CE1 HIS A 186 -6.917 0.849 -11.887 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.039 0.508 -10.961 1.00 0.00 N ATOM 0 H HIS A 186 -10.094 2.577 -8.121 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.508 1.072 -10.639 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.928 0.508 -8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.504 -0.812 -9.121 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.262 -0.084 -8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -6.687 1.126 -12.905 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.028 0.463 -11.091 1.00 0.00 H new ATOM 815 N LEU A 187 -12.021 -0.735 -9.375 1.00 0.00 N ATOM 816 CA LEU A 187 -13.210 -1.418 -8.881 1.00 0.00 C ATOM 817 C LEU A 187 -12.884 -2.243 -7.639 1.00 0.00 C ATOM 818 O LEU A 187 -11.860 -2.922 -7.585 1.00 0.00 O ATOM 819 CB LEU A 187 -13.798 -2.317 -9.972 1.00 0.00 C ATOM 820 CG LEU A 187 -15.288 -2.105 -10.251 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.509 -0.804 -11.007 1.00 0.00 C ATOM 822 CD2 LEU A 187 -15.855 -3.281 -11.033 1.00 0.00 C ATOM 0 H LEU A 187 -11.479 -1.269 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 187 -13.948 -0.664 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.244 -2.152 -10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.641 -3.358 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.812 -2.041 -9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.574 -0.670 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.139 0.030 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -14.973 -0.839 -11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -16.915 -3.114 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.327 -3.376 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.730 -4.197 -10.455 1.00 0.00 H new ATOM 834 N LEU A 188 -13.765 -2.180 -6.645 1.00 0.00 N ATOM 835 CA LEU A 188 -13.570 -2.920 -5.405 1.00 0.00 C ATOM 836 C LEU A 188 -13.612 -4.437 -5.630 1.00 0.00 C ATOM 837 O LEU A 188 -12.814 -5.167 -5.042 1.00 0.00 O ATOM 838 CB LEU A 188 -14.615 -2.508 -4.362 1.00 0.00 C ATOM 839 CG LEU A 188 -14.040 -1.912 -3.075 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.220 -0.402 -3.054 1.00 0.00 C ATOM 841 CD2 LEU A 188 -14.692 -2.544 -1.853 1.00 0.00 C ATOM 0 H LEU A 188 -14.620 -1.624 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.577 -2.670 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.290 -1.780 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.214 -3.381 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 188 -12.972 -2.130 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.804 0.001 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -13.703 0.038 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.282 -0.161 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -14.270 -2.107 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -15.766 -2.360 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -14.508 -3.618 -1.857 1.00 0.00 H new ATOM 853 N PRO A 189 -14.538 -4.947 -6.473 1.00 0.00 N ATOM 854 CA PRO A 189 -14.635 -6.390 -6.731 1.00 0.00 C ATOM 855 C PRO A 189 -13.396 -6.944 -7.430 1.00 0.00 C ATOM 856 O PRO A 189 -13.194 -8.157 -7.481 1.00 0.00 O ATOM 857 CB PRO A 189 -15.863 -6.519 -7.637 1.00 0.00 C ATOM 858 CG PRO A 189 -16.025 -5.178 -8.259 1.00 0.00 C ATOM 859 CD PRO A 189 -15.550 -4.186 -7.235 1.00 0.00 C ATOM 0 HA PRO A 189 -14.715 -6.958 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.716 -7.290 -8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.748 -6.798 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.442 -5.101 -9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -17.066 -4.995 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.120 -3.300 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.364 -3.846 -6.595 1.00 0.00 H new ATOM 867 N ASP A 190 -12.567 -6.053 -7.964 1.00 0.00 N ATOM 868 CA ASP A 190 -11.350 -6.462 -8.654 1.00 0.00 C ATOM 869 C ASP A 190 -10.136 -6.348 -7.735 1.00 0.00 C ATOM 870 O ASP A 190 -9.020 -6.101 -8.191 1.00 0.00 O ATOM 871 CB ASP A 190 -11.136 -5.608 -9.906 1.00 0.00 C ATOM 872 CG ASP A 190 -10.233 -6.283 -10.919 1.00 0.00 C ATOM 873 OD1 ASP A 190 -9.299 -6.997 -10.499 1.00 0.00 O ATOM 874 OD2 ASP A 190 -10.460 -6.098 -12.133 1.00 0.00 O ATOM 0 H ASP A 190 -12.716 -5.044 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.464 -7.505 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.101 -5.397 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -10.703 -4.650 -9.619 1.00 0.00 H new