USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 167 THR OG1 : rot -60:sc= -0.048 USER MOD Set 1.2: A 187 MET CE :methyl 153:sc= -0.142 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -1.02 K(o=-1,f=-0.0078) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc=-0.000979 K(o=-0.00098,f=-2.4!) USER MOD Single : A 173 CYS SG : rot 32:sc= 0.0959 USER MOD Single : A 176 THR OG1 : rot -176:sc= -1.41 USER MOD Single : A 180 SER OG : rot -91:sc= -1.06! USER MOD Single : A 182 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0523) USER MOD Single : A 183 LYS NZ :NH3+ 156:sc= -0.116 (180deg=-0.676) USER MOD Single : A 186 MET CE :methyl 171:sc= -2.66 (180deg=-2.99!) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.0669 USER MOD Single : A 195 CYS SG : rot -1:sc= 0.127 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -0.0449 K(o=-0.045,f=-1.4) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.541) USER MOD Single : A 212 THR OG1 : rot 85:sc= 0.0294 USER MOD Single : A 215 SER OG : rot -36:sc= 1.19 USER MOD Single : A 218 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 223 HIS : no HE2:sc= 0.635 K(o=0.63,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 -14.866 -1.750 -0.573 1.00 2.57 N ATOM 66 CA PRO A 155 -13.815 -0.736 -0.533 1.00 2.35 C ATOM 67 C PRO A 155 -12.420 -1.346 -0.640 1.00 2.15 C ATOM 68 O PRO A 155 -12.077 -2.273 0.095 1.00 2.14 O ATOM 69 CB PRO A 155 -14.024 -0.085 0.833 1.00 2.38 C ATOM 70 CG PRO A 155 -14.598 -1.164 1.676 1.00 2.54 C ATOM 71 CD PRO A 155 -15.468 -1.975 0.758 1.00 2.69 C ATOM 0 HA PRO A 155 -13.875 -0.037 -1.367 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -13.084 0.283 1.245 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.699 0.768 0.767 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.812 -1.778 2.115 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -15.178 -0.750 2.501 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -15.462 -3.031 1.028 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.506 -1.643 0.791 1.00 2.69 H new ATOM 79 N ILE A 156 -11.619 -0.828 -1.560 1.00 2.02 N ATOM 80 CA ILE A 156 -10.270 -1.332 -1.777 1.00 1.83 C ATOM 81 C ILE A 156 -9.283 -0.189 -1.967 1.00 1.65 C ATOM 82 O ILE A 156 -9.678 0.954 -2.214 1.00 1.71 O ATOM 83 CB ILE A 156 -10.203 -2.280 -2.997 1.00 1.96 C ATOM 84 CG1 ILE A 156 -10.863 -1.674 -4.246 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.837 -3.617 -2.657 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.011 -0.661 -4.973 1.00 2.11 C ATOM 0 H ILE A 156 -11.882 -0.055 -2.171 1.00 2.02 H new ATOM 0 HA ILE A 156 -9.997 -1.896 -0.885 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.150 -2.430 -3.234 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.116 -2.480 -4.935 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.800 -1.200 -3.953 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.784 -4.276 -3.524 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.303 -4.071 -1.823 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.880 -3.465 -2.380 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.553 -0.285 -5.840 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -9.779 0.167 -4.303 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.085 -1.133 -5.301 1.00 2.11 H new ATOM 98 N VAL A 157 -8.006 -0.499 -1.826 1.00 1.45 N ATOM 99 CA VAL A 157 -6.949 0.432 -2.154 1.00 1.29 C ATOM 100 C VAL A 157 -5.971 -0.233 -3.112 1.00 1.25 C ATOM 101 O VAL A 157 -5.428 -1.299 -2.819 1.00 1.18 O ATOM 102 CB VAL A 157 -6.172 0.913 -0.906 1.00 1.14 C ATOM 103 CG1 VAL A 157 -5.167 1.994 -1.281 1.00 1.44 C ATOM 104 CG2 VAL A 157 -7.115 1.411 0.178 1.00 1.67 C ATOM 0 H VAL A 157 -7.677 -1.401 -1.482 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.418 1.303 -2.612 1.00 1.29 H new ATOM 0 HB VAL A 157 -5.627 0.058 -0.505 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -4.631 2.318 -0.389 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -4.457 1.595 -2.006 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.692 2.843 -1.718 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -6.536 1.741 1.040 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -7.702 2.245 -0.206 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -7.784 0.604 0.477 1.00 1.67 H new ATOM 114 N ARG A 158 -5.776 0.379 -4.264 1.00 1.38 N ATOM 115 CA ARG A 158 -4.821 -0.126 -5.238 1.00 1.47 C ATOM 116 C ARG A 158 -3.418 0.302 -4.852 1.00 1.29 C ATOM 117 O ARG A 158 -3.051 1.461 -4.995 1.00 1.32 O ATOM 118 CB ARG A 158 -5.121 0.390 -6.638 1.00 1.78 C ATOM 119 CG ARG A 158 -6.419 -0.107 -7.246 1.00 2.00 C ATOM 120 CD ARG A 158 -6.567 0.474 -8.641 1.00 2.31 C ATOM 121 NE ARG A 158 -7.883 0.261 -9.224 1.00 2.65 N ATOM 122 CZ ARG A 158 -8.389 1.041 -10.177 1.00 2.95 C ATOM 123 NH1 ARG A 158 -7.690 2.082 -10.625 1.00 3.05 N ATOM 124 NH2 ARG A 158 -9.585 0.782 -10.687 1.00 3.61 N ATOM 0 H ARG A 158 -6.265 1.227 -4.551 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.901 -1.213 -5.243 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.146 1.479 -6.609 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.299 0.108 -7.296 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.421 -1.196 -7.290 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.264 0.189 -6.624 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.365 1.544 -8.603 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -5.814 0.030 -9.292 1.00 2.31 H new ATOM 0 HE ARG A 158 -8.444 -0.522 -8.887 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -6.768 2.281 -10.238 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -8.077 2.680 -11.355 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -10.121 -0.017 -10.349 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -9.969 1.382 -11.417 1.00 3.61 H new ATOM 138 N VAL A 159 -2.651 -0.636 -4.361 1.00 1.17 N ATOM 139 CA VAL A 159 -1.294 -0.380 -3.930 1.00 1.00 C ATOM 140 C VAL A 159 -0.302 -0.714 -5.031 1.00 1.24 C ATOM 141 O VAL A 159 -0.072 -1.880 -5.334 1.00 1.40 O ATOM 142 CB VAL A 159 -0.970 -1.208 -2.680 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.507 -1.135 -2.351 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.808 -0.722 -1.512 1.00 0.68 C ATOM 0 H VAL A 159 -2.948 -1.605 -4.247 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.210 0.681 -3.695 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.213 -2.252 -2.878 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.711 -1.730 -1.461 1.00 0.79 H new ATOM 0 HG12 VAL A 159 1.086 -1.524 -3.189 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.788 -0.098 -2.167 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.575 -1.313 -0.626 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.587 0.327 -1.317 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.865 -0.831 -1.753 1.00 0.68 H new ATOM 154 N PHE A 160 0.277 0.307 -5.628 1.00 1.35 N ATOM 155 CA PHE A 160 1.250 0.106 -6.681 1.00 1.60 C ATOM 156 C PHE A 160 2.549 -0.436 -6.107 1.00 1.50 C ATOM 157 O PHE A 160 3.340 0.284 -5.502 1.00 1.42 O ATOM 158 CB PHE A 160 1.479 1.395 -7.473 1.00 1.81 C ATOM 159 CG PHE A 160 0.331 1.730 -8.388 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.965 1.791 -7.902 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.550 1.984 -9.729 1.00 2.34 C ATOM 162 CE1 PHE A 160 -2.024 2.097 -8.735 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.504 2.290 -10.570 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.791 2.346 -10.072 1.00 2.44 C ATOM 0 H PHE A 160 0.091 1.284 -5.402 1.00 1.35 H new ATOM 0 HA PHE A 160 0.856 -0.635 -7.377 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.636 2.220 -6.778 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.391 1.297 -8.062 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -1.150 1.596 -6.856 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.554 1.943 -10.124 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -3.029 2.141 -8.342 1.00 2.13 H new ATOM 0 HE2 PHE A 160 -0.321 2.485 -11.616 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.615 2.585 -10.729 1.00 2.44 H new ATOM 174 N LEU A 161 2.732 -1.727 -6.306 1.00 1.56 N ATOM 175 CA LEU A 161 3.883 -2.461 -5.812 1.00 1.52 C ATOM 176 C LEU A 161 5.171 -1.952 -6.448 1.00 1.73 C ATOM 177 O LEU A 161 5.136 -1.317 -7.507 1.00 1.95 O ATOM 178 CB LEU A 161 3.696 -3.934 -6.156 1.00 1.63 C ATOM 179 CG LEU A 161 2.364 -4.532 -5.715 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.091 -5.804 -6.495 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.378 -4.804 -4.218 1.00 1.85 C ATOM 0 H LEU A 161 2.073 -2.307 -6.825 1.00 1.56 H new ATOM 0 HA LEU A 161 3.960 -2.322 -4.734 1.00 1.52 H new ATOM 0 HB2 LEU A 161 3.793 -4.055 -7.235 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.504 -4.505 -5.697 1.00 1.63 H new ATOM 0 HG LEU A 161 1.564 -3.820 -5.920 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.139 -6.228 -6.177 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.049 -5.576 -7.560 1.00 2.07 H new ATOM 0 HD13 LEU A 161 2.889 -6.523 -6.309 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.421 -5.231 -3.917 1.00 1.85 H new ATOM 0 HD22 LEU A 161 3.178 -5.506 -3.983 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.544 -3.871 -3.680 1.00 1.85 H new ATOM 193 N PRO A 162 6.325 -2.222 -5.811 1.00 1.72 N ATOM 194 CA PRO A 162 7.633 -1.884 -6.376 1.00 1.96 C ATOM 195 C PRO A 162 7.788 -2.408 -7.803 1.00 2.24 C ATOM 196 O PRO A 162 7.219 -3.446 -8.158 1.00 2.27 O ATOM 197 CB PRO A 162 8.614 -2.582 -5.430 1.00 1.92 C ATOM 198 CG PRO A 162 7.891 -2.641 -4.131 1.00 1.65 C ATOM 199 CD PRO A 162 6.448 -2.862 -4.485 1.00 1.51 C ATOM 0 HA PRO A 162 7.791 -0.808 -6.449 1.00 1.96 H new ATOM 0 HB2 PRO A 162 8.871 -3.579 -5.788 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.547 -2.025 -5.342 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.270 -3.450 -3.507 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.020 -1.717 -3.568 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.201 -3.923 -4.525 1.00 1.51 H new ATOM 0 HD3 PRO A 162 5.780 -2.407 -3.754 1.00 1.51 H new ATOM 207 N ASN A 163 8.550 -1.673 -8.611 1.00 2.48 N ATOM 208 CA ASN A 163 8.747 -1.990 -10.027 1.00 2.78 C ATOM 209 C ASN A 163 7.472 -1.745 -10.816 1.00 2.84 C ATOM 210 O ASN A 163 7.147 -2.472 -11.757 1.00 3.05 O ATOM 211 CB ASN A 163 9.236 -3.432 -10.228 1.00 2.88 C ATOM 212 CG ASN A 163 10.626 -3.684 -9.661 1.00 3.09 C ATOM 213 OD1 ASN A 163 10.920 -4.783 -9.191 1.00 3.40 O ATOM 214 ND2 ASN A 163 11.493 -2.682 -9.714 1.00 3.47 N ATOM 0 H ASN A 163 9.050 -0.839 -8.303 1.00 2.48 H new ATOM 0 HA ASN A 163 9.524 -1.325 -10.403 1.00 2.78 H new ATOM 0 HB2 ASN A 163 8.530 -4.116 -9.757 1.00 2.88 H new ATOM 0 HB3 ASN A 163 9.239 -3.661 -11.294 1.00 2.88 H new ATOM 0 HD21 ASN A 163 12.440 -2.808 -9.358 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.212 -1.785 -10.111 1.00 3.47 H new ATOM 221 N LYS A 164 6.766 -0.702 -10.405 1.00 2.69 N ATOM 222 CA LYS A 164 5.629 -0.156 -11.137 1.00 2.78 C ATOM 223 C LYS A 164 4.513 -1.172 -11.363 1.00 2.78 C ATOM 224 O LYS A 164 3.835 -1.147 -12.388 1.00 3.01 O ATOM 225 CB LYS A 164 6.072 0.441 -12.459 1.00 3.11 C ATOM 226 CG LYS A 164 7.172 1.469 -12.290 1.00 3.16 C ATOM 227 CD LYS A 164 8.489 0.827 -12.583 1.00 3.36 C ATOM 228 CE LYS A 164 8.519 0.331 -14.012 1.00 3.97 C ATOM 229 NZ LYS A 164 9.074 1.342 -14.947 1.00 4.66 N ATOM 0 H LYS A 164 6.969 -0.202 -9.539 1.00 2.69 H new ATOM 0 HA LYS A 164 5.215 0.631 -10.507 1.00 2.78 H new ATOM 0 HB2 LYS A 164 6.421 -0.356 -13.115 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.217 0.906 -12.949 1.00 3.11 H new ATOM 0 HG2 LYS A 164 7.006 2.311 -12.962 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.164 1.865 -11.274 1.00 3.16 H new ATOM 0 HD2 LYS A 164 9.295 1.543 -12.421 1.00 3.36 H new ATOM 0 HD3 LYS A 164 8.658 -0.004 -11.898 1.00 3.36 H new ATOM 0 HE2 LYS A 164 9.118 -0.578 -14.066 1.00 3.97 H new ATOM 0 HE3 LYS A 164 7.509 0.067 -14.324 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 9.075 0.958 -15.913 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 8.489 2.201 -14.917 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 10.048 1.576 -14.667 1.00 4.66 H new ATOM 243 N GLN A 165 4.336 -2.071 -10.414 1.00 2.56 N ATOM 244 CA GLN A 165 3.233 -2.994 -10.435 1.00 2.56 C ATOM 245 C GLN A 165 2.133 -2.469 -9.534 1.00 2.31 C ATOM 246 O GLN A 165 2.270 -1.389 -8.979 1.00 2.15 O ATOM 247 CB GLN A 165 3.724 -4.345 -9.958 1.00 2.53 C ATOM 248 CG GLN A 165 4.295 -5.198 -11.072 1.00 2.86 C ATOM 249 CD GLN A 165 4.944 -6.467 -10.564 1.00 3.08 C ATOM 250 OE1 GLN A 165 4.293 -7.501 -10.431 1.00 3.33 O ATOM 251 NE2 GLN A 165 6.235 -6.398 -10.279 1.00 3.57 N ATOM 0 H GLN A 165 4.955 -2.177 -9.611 1.00 2.56 H new ATOM 0 HA GLN A 165 2.834 -3.099 -11.444 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.487 -4.198 -9.194 1.00 2.53 H new ATOM 0 HB3 GLN A 165 2.899 -4.879 -9.486 1.00 2.53 H new ATOM 0 HG2 GLN A 165 3.499 -5.457 -11.770 1.00 2.86 H new ATOM 0 HG3 GLN A 165 5.030 -4.617 -11.628 1.00 2.86 H new ATOM 0 HE21 GLN A 165 6.739 -5.520 -10.404 1.00 3.57 H new ATOM 0 HE22 GLN A 165 6.726 -7.223 -9.935 1.00 3.57 H new ATOM 260 N ARG A 166 1.028 -3.187 -9.423 1.00 2.31 N ATOM 261 CA ARG A 166 -0.010 -2.811 -8.486 1.00 2.09 C ATOM 262 C ARG A 166 -0.776 -4.017 -7.971 1.00 2.04 C ATOM 263 O ARG A 166 -1.179 -4.883 -8.739 1.00 2.28 O ATOM 264 CB ARG A 166 -0.966 -1.798 -9.110 1.00 2.22 C ATOM 265 CG ARG A 166 -1.758 -2.325 -10.279 1.00 2.51 C ATOM 266 CD ARG A 166 -2.711 -1.272 -10.819 1.00 2.64 C ATOM 267 NE ARG A 166 -3.591 -1.808 -11.856 1.00 2.98 N ATOM 268 CZ ARG A 166 -4.442 -1.070 -12.570 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.525 0.243 -12.369 1.00 3.17 N ATOM 270 NH2 ARG A 166 -5.212 -1.646 -13.483 1.00 3.54 N ATOM 0 H ARG A 166 0.830 -4.027 -9.967 1.00 2.31 H new ATOM 0 HA ARG A 166 0.483 -2.346 -7.632 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.660 -1.452 -8.344 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.393 -0.930 -9.437 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -1.077 -2.642 -11.069 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.322 -3.206 -9.972 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -3.314 -0.876 -10.002 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -2.138 -0.439 -11.225 1.00 2.64 H new ATOM 0 HE ARG A 166 -3.552 -2.809 -12.045 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.936 0.690 -11.666 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -5.178 0.803 -12.918 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -5.153 -2.652 -13.639 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -5.863 -1.083 -14.030 1.00 3.54 H new ATOM 284 N THR A 167 -0.965 -4.069 -6.664 1.00 1.77 N ATOM 285 CA THR A 167 -1.829 -5.039 -6.055 1.00 1.75 C ATOM 286 C THR A 167 -2.906 -4.308 -5.277 1.00 1.63 C ATOM 287 O THR A 167 -2.628 -3.321 -4.605 1.00 1.62 O ATOM 288 CB THR A 167 -1.031 -5.974 -5.134 1.00 1.62 C ATOM 289 OG1 THR A 167 -1.008 -7.300 -5.672 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.580 -5.981 -3.722 1.00 1.47 C ATOM 0 H THR A 167 -0.518 -3.434 -6.002 1.00 1.77 H new ATOM 0 HA THR A 167 -2.290 -5.655 -6.827 1.00 1.75 H new ATOM 0 HB THR A 167 -0.011 -5.594 -5.083 1.00 1.62 H new ATOM 0 HG1 THR A 167 -1.925 -7.637 -5.751 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.987 -6.655 -3.104 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.533 -4.974 -3.308 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.616 -6.319 -3.736 1.00 1.47 H new ATOM 298 N VAL A 168 -4.130 -4.761 -5.385 1.00 1.71 N ATOM 299 CA VAL A 168 -5.206 -4.125 -4.668 1.00 1.63 C ATOM 300 C VAL A 168 -5.398 -4.818 -3.333 1.00 1.55 C ATOM 301 O VAL A 168 -5.239 -6.033 -3.227 1.00 1.69 O ATOM 302 CB VAL A 168 -6.521 -4.147 -5.473 1.00 1.90 C ATOM 303 CG1 VAL A 168 -7.492 -3.125 -4.955 1.00 2.22 C ATOM 304 CG2 VAL A 168 -6.271 -3.938 -6.942 1.00 2.31 C ATOM 0 H VAL A 168 -4.404 -5.560 -5.957 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.940 -3.080 -4.509 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.962 -5.135 -5.343 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -8.409 -3.164 -5.542 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -7.720 -3.337 -3.910 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -7.052 -2.131 -5.036 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -7.219 -3.959 -7.479 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -5.789 -2.973 -7.095 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -5.624 -4.731 -7.317 1.00 2.31 H new ATOM 314 N VAL A 169 -5.675 -4.047 -2.308 1.00 1.38 N ATOM 315 CA VAL A 169 -5.968 -4.610 -1.009 1.00 1.41 C ATOM 316 C VAL A 169 -7.185 -3.910 -0.416 1.00 1.50 C ATOM 317 O VAL A 169 -7.229 -2.683 -0.334 1.00 1.41 O ATOM 318 CB VAL A 169 -4.749 -4.531 -0.050 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.353 -3.094 0.260 1.00 1.57 C ATOM 320 CG2 VAL A 169 -5.030 -5.296 1.233 1.00 1.67 C ATOM 0 H VAL A 169 -5.704 -3.028 -2.347 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.191 -5.669 -1.136 1.00 1.41 H new ATOM 0 HB VAL A 169 -3.905 -4.994 -0.561 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.496 -3.090 0.934 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.089 -2.582 -0.665 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.190 -2.580 0.733 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.165 -5.230 1.893 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -5.899 -4.866 1.730 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.227 -6.342 0.997 1.00 1.67 H new ATOM 330 N PRO A 170 -8.223 -4.684 -0.068 1.00 1.73 N ATOM 331 CA PRO A 170 -9.456 -4.160 0.510 1.00 1.87 C ATOM 332 C PRO A 170 -9.179 -3.255 1.693 1.00 1.79 C ATOM 333 O PRO A 170 -8.306 -3.541 2.513 1.00 1.76 O ATOM 334 CB PRO A 170 -10.225 -5.418 0.943 1.00 2.12 C ATOM 335 CG PRO A 170 -9.225 -6.519 0.881 1.00 2.10 C ATOM 336 CD PRO A 170 -8.299 -6.134 -0.228 1.00 1.90 C ATOM 0 HA PRO A 170 -10.015 -3.545 -0.196 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.629 -5.307 1.949 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -11.069 -5.613 0.281 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.690 -6.621 1.825 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.704 -7.477 0.681 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.322 -6.608 -0.128 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.692 -6.417 -1.205 1.00 1.90 H new ATOM 344 N ALA A 171 -9.916 -2.158 1.756 1.00 1.82 N ATOM 345 CA ALA A 171 -9.736 -1.164 2.803 1.00 1.82 C ATOM 346 C ALA A 171 -10.096 -1.754 4.160 1.00 2.05 C ATOM 347 O ALA A 171 -11.238 -1.673 4.618 1.00 2.28 O ATOM 348 CB ALA A 171 -10.575 0.065 2.497 1.00 1.88 C ATOM 0 H ALA A 171 -10.652 -1.932 1.087 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.689 -0.864 2.837 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.436 0.806 3.285 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -10.265 0.489 1.542 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.627 -0.216 2.445 1.00 1.88 H new ATOM 354 N ARG A 172 -9.099 -2.362 4.775 1.00 2.03 N ATOM 355 CA ARG A 172 -9.252 -3.063 6.032 1.00 2.28 C ATOM 356 C ARG A 172 -9.583 -2.102 7.174 1.00 2.44 C ATOM 357 O ARG A 172 -8.763 -1.270 7.555 1.00 2.39 O ATOM 358 CB ARG A 172 -7.961 -3.830 6.324 1.00 2.23 C ATOM 359 CG ARG A 172 -7.694 -4.979 5.366 1.00 2.18 C ATOM 360 CD ARG A 172 -8.771 -6.043 5.459 1.00 2.43 C ATOM 361 NE ARG A 172 -8.492 -7.195 4.606 1.00 2.82 N ATOM 362 CZ ARG A 172 -9.222 -8.306 4.602 1.00 3.26 C ATOM 363 NH1 ARG A 172 -10.245 -8.436 5.441 1.00 3.26 N ATOM 364 NH2 ARG A 172 -8.921 -9.295 3.773 1.00 3.98 N ATOM 0 H ARG A 172 -8.147 -2.382 4.409 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.087 -3.759 5.953 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.122 -3.136 6.285 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.005 -4.221 7.341 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -7.644 -4.599 4.346 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -6.723 -5.422 5.589 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -8.862 -6.374 6.493 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.731 -5.610 5.177 1.00 2.43 H new ATOM 0 HE ARG A 172 -7.691 -7.144 3.977 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -10.471 -7.682 6.090 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -10.804 -9.289 5.436 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -8.129 -9.204 3.137 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -9.482 -10.147 3.771 1.00 3.98 H new ATOM 378 N CYS A 173 -10.794 -2.222 7.707 1.00 2.68 N ATOM 379 CA CYS A 173 -11.241 -1.372 8.805 1.00 2.89 C ATOM 380 C CYS A 173 -10.616 -1.820 10.120 1.00 3.07 C ATOM 381 O CYS A 173 -10.626 -3.009 10.447 1.00 3.19 O ATOM 382 CB CYS A 173 -12.767 -1.403 8.901 1.00 3.08 C ATOM 383 SG CYS A 173 -13.458 -3.067 9.060 1.00 3.37 S ATOM 0 H CYS A 173 -11.487 -2.903 7.395 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.920 -0.349 8.607 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -13.079 -0.807 9.759 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -13.187 -0.929 8.014 1.00 3.08 H new ATOM 0 HG CYS A 173 -12.629 -3.820 9.720 1.00 3.37 H new ATOM 389 N GLY A 174 -10.060 -0.869 10.861 1.00 3.11 N ATOM 390 CA GLY A 174 -9.388 -1.194 12.103 1.00 3.31 C ATOM 391 C GLY A 174 -8.057 -1.858 11.842 1.00 3.16 C ATOM 392 O GLY A 174 -7.502 -2.543 12.704 1.00 3.34 O ATOM 0 H GLY A 174 -10.063 0.123 10.623 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -9.237 -0.286 12.687 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -10.017 -1.855 12.699 1.00 3.31 H new ATOM 396 N VAL A 175 -7.552 -1.655 10.636 1.00 2.87 N ATOM 397 CA VAL A 175 -6.321 -2.275 10.194 1.00 2.70 C ATOM 398 C VAL A 175 -5.392 -1.218 9.627 1.00 2.51 C ATOM 399 O VAL A 175 -5.839 -0.257 9.003 1.00 2.45 O ATOM 400 CB VAL A 175 -6.600 -3.362 9.133 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.317 -4.004 8.637 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.508 -4.437 9.704 1.00 2.77 C ATOM 0 H VAL A 175 -7.988 -1.054 9.937 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.846 -2.753 11.051 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.090 -2.873 8.291 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.555 -4.763 7.892 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.679 -3.243 8.188 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.795 -4.468 9.474 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.696 -5.196 8.944 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -7.028 -4.898 10.567 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -8.453 -3.989 10.011 1.00 2.77 H new ATOM 412 N THR A 176 -4.105 -1.399 9.841 1.00 2.46 N ATOM 413 CA THR A 176 -3.129 -0.425 9.421 1.00 2.32 C ATOM 414 C THR A 176 -2.618 -0.798 8.049 1.00 1.98 C ATOM 415 O THR A 176 -2.919 -1.893 7.550 1.00 1.90 O ATOM 416 CB THR A 176 -1.951 -0.351 10.415 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.485 -1.671 10.723 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.354 0.352 11.701 1.00 2.83 C ATOM 0 H THR A 176 -3.713 -2.218 10.306 1.00 2.46 H new ATOM 0 HA THR A 176 -3.605 0.555 9.390 1.00 2.32 H new ATOM 0 HB THR A 176 -1.154 0.223 9.943 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.779 -1.619 11.401 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.501 0.387 12.379 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.679 1.367 11.474 1.00 2.83 H new ATOM 0 HG23 THR A 176 -3.171 -0.194 12.173 1.00 2.83 H new ATOM 426 N VAL A 177 -1.856 0.085 7.433 1.00 1.82 N ATOM 427 CA VAL A 177 -1.223 -0.241 6.171 1.00 1.52 C ATOM 428 C VAL A 177 -0.286 -1.435 6.377 1.00 1.52 C ATOM 429 O VAL A 177 0.041 -2.141 5.445 1.00 1.33 O ATOM 430 CB VAL A 177 -0.456 0.957 5.559 1.00 1.45 C ATOM 431 CG1 VAL A 177 -1.174 2.264 5.841 1.00 1.78 C ATOM 432 CG2 VAL A 177 0.971 1.011 6.059 1.00 1.92 C ATOM 0 H VAL A 177 -1.662 1.024 7.781 1.00 1.82 H new ATOM 0 HA VAL A 177 -2.006 -0.497 5.458 1.00 1.52 H new ATOM 0 HB VAL A 177 -0.426 0.811 4.479 1.00 1.45 H new ATOM 0 HG11 VAL A 177 -0.614 3.089 5.400 1.00 1.78 H new ATOM 0 HG12 VAL A 177 -2.173 2.231 5.407 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -1.251 2.412 6.918 1.00 1.78 H new ATOM 0 HG21 VAL A 177 1.482 1.863 5.610 1.00 1.92 H new ATOM 0 HG22 VAL A 177 0.973 1.117 7.144 1.00 1.92 H new ATOM 0 HG23 VAL A 177 1.488 0.092 5.783 1.00 1.92 H new ATOM 442 N ARG A 178 0.117 -1.652 7.627 1.00 1.79 N ATOM 443 CA ARG A 178 0.960 -2.776 7.993 1.00 1.88 C ATOM 444 C ARG A 178 0.380 -4.101 7.513 1.00 1.85 C ATOM 445 O ARG A 178 1.001 -4.804 6.729 1.00 1.73 O ATOM 446 CB ARG A 178 1.132 -2.800 9.512 1.00 2.23 C ATOM 447 CG ARG A 178 1.998 -3.928 10.017 1.00 2.43 C ATOM 448 CD ARG A 178 3.387 -3.847 9.432 1.00 2.70 C ATOM 449 NE ARG A 178 4.108 -2.659 9.894 1.00 3.12 N ATOM 450 CZ ARG A 178 5.275 -2.249 9.396 1.00 3.76 C ATOM 451 NH1 ARG A 178 5.859 -2.926 8.417 1.00 4.24 N ATOM 452 NH2 ARG A 178 5.862 -1.161 9.880 1.00 4.27 N ATOM 0 H ARG A 178 -0.135 -1.050 8.411 1.00 1.79 H new ATOM 0 HA ARG A 178 1.927 -2.649 7.507 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.565 -1.852 9.833 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.149 -2.875 9.977 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.055 -3.889 11.105 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.545 -4.884 9.756 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.948 -4.741 9.705 1.00 2.70 H new ATOM 0 HD3 ARG A 178 3.322 -3.831 8.344 1.00 2.70 H new ATOM 0 HE ARG A 178 3.691 -2.110 10.645 1.00 3.12 H new ATOM 0 HH11 ARG A 178 5.416 -3.764 8.042 1.00 4.24 H new ATOM 0 HH12 ARG A 178 6.752 -2.608 8.039 1.00 4.24 H new ATOM 0 HH21 ARG A 178 5.420 -0.636 10.635 1.00 4.27 H new ATOM 0 HH22 ARG A 178 6.755 -0.850 9.497 1.00 4.27 H new ATOM 466 N ASP A 179 -0.807 -4.428 7.999 1.00 2.00 N ATOM 467 CA ASP A 179 -1.469 -5.690 7.663 1.00 2.07 C ATOM 468 C ASP A 179 -1.846 -5.726 6.192 1.00 1.81 C ATOM 469 O ASP A 179 -1.588 -6.703 5.478 1.00 1.77 O ATOM 470 CB ASP A 179 -2.750 -5.849 8.474 1.00 2.32 C ATOM 471 CG ASP A 179 -3.289 -7.267 8.457 1.00 2.51 C ATOM 472 OD1 ASP A 179 -3.149 -7.972 9.478 1.00 2.78 O ATOM 473 OD2 ASP A 179 -3.870 -7.677 7.429 1.00 2.87 O ATOM 0 H ASP A 179 -1.340 -3.834 8.634 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.771 -6.495 7.890 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.560 -5.550 9.505 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.509 -5.173 8.081 1.00 2.32 H new ATOM 478 N SER A 180 -2.463 -4.647 5.750 1.00 1.66 N ATOM 479 CA SER A 180 -2.980 -4.570 4.398 1.00 1.46 C ATOM 480 C SER A 180 -1.849 -4.705 3.380 1.00 1.22 C ATOM 481 O SER A 180 -1.879 -5.567 2.487 1.00 1.22 O ATOM 482 CB SER A 180 -3.723 -3.252 4.239 1.00 1.40 C ATOM 483 OG SER A 180 -3.024 -2.203 4.881 1.00 1.99 O ATOM 0 H SER A 180 -2.619 -3.809 6.310 1.00 1.66 H new ATOM 0 HA SER A 180 -3.671 -5.393 4.214 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.842 -3.022 3.180 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.724 -3.340 4.661 1.00 1.40 H new ATOM 0 HG SER A 180 -3.335 -2.121 5.807 1.00 1.99 H new ATOM 489 N LEU A 181 -0.835 -3.876 3.539 1.00 1.10 N ATOM 490 CA LEU A 181 0.342 -3.958 2.715 1.00 0.92 C ATOM 491 C LEU A 181 1.113 -5.247 2.946 1.00 1.10 C ATOM 492 O LEU A 181 1.859 -5.678 2.077 1.00 1.07 O ATOM 493 CB LEU A 181 1.261 -2.800 2.960 1.00 0.85 C ATOM 494 CG LEU A 181 1.142 -1.730 1.925 1.00 0.68 C ATOM 495 CD1 LEU A 181 0.238 -0.624 2.397 1.00 0.94 C ATOM 496 CD2 LEU A 181 2.504 -1.265 1.533 1.00 1.34 C ATOM 0 H LEU A 181 -0.809 -3.134 4.239 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.010 -3.937 1.684 1.00 0.92 H new ATOM 0 HB2 LEU A 181 1.047 -2.375 3.940 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.290 -3.159 2.986 1.00 0.85 H new ATOM 0 HG LEU A 181 0.669 -2.129 1.027 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.168 0.143 1.626 1.00 0.94 H new ATOM 0 HD12 LEU A 181 -0.754 -1.027 2.600 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.645 -0.186 3.308 1.00 0.94 H new ATOM 0 HD21 LEU A 181 2.418 -0.484 0.778 1.00 1.34 H new ATOM 0 HD22 LEU A 181 3.019 -0.869 2.408 1.00 1.34 H new ATOM 0 HD23 LEU A 181 3.071 -2.102 1.127 1.00 1.34 H new ATOM 508 N LYS A 182 0.964 -5.847 4.129 1.00 1.35 N ATOM 509 CA LYS A 182 1.644 -7.104 4.422 1.00 1.55 C ATOM 510 C LYS A 182 1.289 -8.137 3.364 1.00 1.54 C ATOM 511 O LYS A 182 2.151 -8.878 2.901 1.00 1.58 O ATOM 512 CB LYS A 182 1.301 -7.602 5.837 1.00 1.84 C ATOM 513 CG LYS A 182 0.648 -8.974 5.893 1.00 2.25 C ATOM 514 CD LYS A 182 0.158 -9.309 7.297 1.00 2.48 C ATOM 515 CE LYS A 182 1.299 -9.370 8.302 1.00 2.59 C ATOM 516 NZ LYS A 182 2.215 -10.507 8.034 1.00 3.08 N ATOM 0 H LYS A 182 0.386 -5.487 4.888 1.00 1.35 H new ATOM 0 HA LYS A 182 2.721 -6.939 4.395 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.216 -7.627 6.429 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.635 -6.879 6.309 1.00 1.84 H new ATOM 0 HG2 LYS A 182 -0.191 -9.006 5.198 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.362 -9.730 5.567 1.00 2.25 H new ATOM 0 HD2 LYS A 182 -0.566 -8.559 7.616 1.00 2.48 H new ATOM 0 HD3 LYS A 182 -0.361 -10.267 7.280 1.00 2.48 H new ATOM 0 HE2 LYS A 182 1.861 -8.436 8.270 1.00 2.59 H new ATOM 0 HE3 LYS A 182 0.891 -9.462 9.309 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 2.908 -10.584 8.806 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 1.666 -11.388 7.972 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 2.714 -10.346 7.136 1.00 3.08 H new ATOM 530 N LYS A 183 0.023 -8.161 2.952 1.00 1.56 N ATOM 531 CA LYS A 183 -0.373 -9.017 1.842 1.00 1.62 C ATOM 532 C LYS A 183 0.235 -8.501 0.546 1.00 1.47 C ATOM 533 O LYS A 183 0.788 -9.270 -0.237 1.00 1.59 O ATOM 534 CB LYS A 183 -1.894 -9.083 1.688 1.00 1.72 C ATOM 535 CG LYS A 183 -2.331 -10.037 0.587 1.00 1.85 C ATOM 536 CD LYS A 183 -3.803 -9.889 0.234 1.00 1.95 C ATOM 537 CE LYS A 183 -4.293 -11.086 -0.565 1.00 2.25 C ATOM 538 NZ LYS A 183 -4.207 -12.348 0.221 1.00 2.75 N ATOM 0 H LYS A 183 -0.731 -7.609 3.362 1.00 1.56 H new ATOM 0 HA LYS A 183 -0.007 -10.021 2.058 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.338 -9.397 2.633 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.277 -8.086 1.472 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -1.728 -9.859 -0.303 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.138 -11.062 0.902 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.392 -9.790 1.146 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -3.953 -8.976 -0.342 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -5.325 -10.919 -0.873 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -3.700 -11.183 -1.475 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -4.888 -13.038 -0.155 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -3.245 -12.737 0.149 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -4.428 -12.152 1.218 1.00 2.75 H new ATOM 552 N ALA A 184 0.127 -7.194 0.341 1.00 1.26 N ATOM 553 CA ALA A 184 0.608 -6.557 -0.881 1.00 1.18 C ATOM 554 C ALA A 184 2.061 -6.933 -1.189 1.00 1.25 C ATOM 555 O ALA A 184 2.364 -7.451 -2.268 1.00 1.43 O ATOM 556 CB ALA A 184 0.455 -5.046 -0.770 1.00 0.93 C ATOM 0 H ALA A 184 -0.293 -6.549 1.011 1.00 1.26 H new ATOM 0 HA ALA A 184 0.002 -6.920 -1.711 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.816 -4.576 -1.685 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.596 -4.796 -0.624 1.00 0.93 H new ATOM 0 HB3 ALA A 184 1.036 -4.683 0.078 1.00 0.93 H new ATOM 562 N LEU A 185 2.950 -6.685 -0.235 1.00 1.18 N ATOM 563 CA LEU A 185 4.363 -7.004 -0.398 1.00 1.30 C ATOM 564 C LEU A 185 4.575 -8.502 -0.553 1.00 1.54 C ATOM 565 O LEU A 185 5.262 -8.947 -1.473 1.00 1.70 O ATOM 566 CB LEU A 185 5.183 -6.503 0.797 1.00 1.28 C ATOM 567 CG LEU A 185 5.604 -5.037 0.776 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.890 -4.539 -0.633 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.562 -4.203 1.463 1.00 1.54 C ATOM 0 H LEU A 185 2.716 -6.262 0.663 1.00 1.18 H new ATOM 0 HA LEU A 185 4.702 -6.500 -1.303 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.603 -6.677 1.704 1.00 1.28 H new ATOM 0 HB3 LEU A 185 6.083 -7.114 0.872 1.00 1.28 H new ATOM 0 HG LEU A 185 6.543 -4.943 1.322 1.00 1.20 H new ATOM 0 HD11 LEU A 185 6.186 -3.491 -0.595 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.696 -5.128 -1.070 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.993 -4.641 -1.244 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.865 -3.156 1.447 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.609 -4.313 0.946 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.454 -4.534 2.496 1.00 1.54 H new ATOM 581 N MET A 186 3.972 -9.275 0.343 1.00 1.61 N ATOM 582 CA MET A 186 4.167 -10.724 0.364 1.00 1.84 C ATOM 583 C MET A 186 3.691 -11.393 -0.924 1.00 1.98 C ATOM 584 O MET A 186 4.157 -12.478 -1.268 1.00 2.18 O ATOM 585 CB MET A 186 3.463 -11.342 1.570 1.00 1.94 C ATOM 586 CG MET A 186 4.206 -11.154 2.889 1.00 1.99 C ATOM 587 SD MET A 186 5.324 -12.520 3.287 1.00 2.29 S ATOM 588 CE MET A 186 6.589 -12.339 2.031 1.00 2.25 C ATOM 0 H MET A 186 3.343 -8.924 1.066 1.00 1.61 H new ATOM 0 HA MET A 186 5.240 -10.900 0.444 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.469 -10.905 1.660 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.327 -12.409 1.391 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.778 -10.227 2.846 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.479 -11.043 3.694 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.419 -13.010 2.251 1.00 2.25 H new ATOM 0 HE2 MET A 186 6.171 -12.587 1.055 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.947 -11.310 2.021 1.00 2.25 H new ATOM 598 N MET A 187 2.779 -10.753 -1.649 1.00 1.91 N ATOM 599 CA MET A 187 2.309 -11.311 -2.913 1.00 2.11 C ATOM 600 C MET A 187 3.355 -11.111 -4.008 1.00 2.24 C ATOM 601 O MET A 187 3.465 -11.924 -4.922 1.00 2.50 O ATOM 602 CB MET A 187 0.955 -10.726 -3.333 1.00 2.07 C ATOM 603 CG MET A 187 -0.196 -11.165 -2.434 1.00 2.07 C ATOM 604 SD MET A 187 -1.790 -11.186 -3.278 1.00 2.22 S ATOM 605 CE MET A 187 -2.061 -9.437 -3.525 1.00 1.99 C ATOM 0 H MET A 187 2.356 -9.862 -1.389 1.00 1.91 H new ATOM 0 HA MET A 187 2.161 -12.381 -2.764 1.00 2.11 H new ATOM 0 HB2 MET A 187 1.019 -9.638 -3.325 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.740 -11.025 -4.359 1.00 2.07 H new ATOM 0 HG2 MET A 187 0.015 -12.161 -2.045 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.255 -10.494 -1.577 1.00 2.07 H new ATOM 0 HE1 MET A 187 -2.695 -9.287 -4.399 1.00 1.99 H new ATOM 0 HE2 MET A 187 -2.549 -9.017 -2.646 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.104 -8.939 -3.681 1.00 1.99 H new ATOM 615 N ARG A 188 4.119 -10.024 -3.920 1.00 2.10 N ATOM 616 CA ARG A 188 5.296 -9.853 -4.764 1.00 2.26 C ATOM 617 C ARG A 188 6.415 -10.773 -4.308 1.00 2.31 C ATOM 618 O ARG A 188 7.289 -11.148 -5.088 1.00 2.49 O ATOM 619 CB ARG A 188 5.809 -8.418 -4.703 1.00 2.17 C ATOM 620 CG ARG A 188 4.917 -7.404 -5.379 1.00 2.35 C ATOM 621 CD ARG A 188 4.739 -7.718 -6.855 1.00 2.34 C ATOM 622 NE ARG A 188 5.975 -8.220 -7.464 1.00 2.97 N ATOM 623 CZ ARG A 188 6.031 -9.249 -8.311 1.00 3.63 C ATOM 624 NH1 ARG A 188 4.921 -9.874 -8.685 1.00 3.90 N ATOM 625 NH2 ARG A 188 7.206 -9.646 -8.787 1.00 4.43 N ATOM 0 H ARG A 188 3.944 -9.253 -3.276 1.00 2.10 H new ATOM 0 HA ARG A 188 5.000 -10.095 -5.785 1.00 2.26 H new ATOM 0 HB2 ARG A 188 5.933 -8.134 -3.658 1.00 2.17 H new ATOM 0 HB3 ARG A 188 6.796 -8.379 -5.163 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.944 -7.389 -4.889 1.00 2.35 H new ATOM 0 HG3 ARG A 188 5.345 -6.408 -5.267 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.949 -8.459 -6.975 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.415 -6.819 -7.380 1.00 2.34 H new ATOM 0 HE ARG A 188 6.849 -7.752 -7.224 1.00 2.97 H new ATOM 0 HH11 ARG A 188 4.017 -9.568 -8.324 1.00 3.90 H new ATOM 0 HH12 ARG A 188 4.972 -10.660 -9.333 1.00 3.90 H new ATOM 0 HH21 ARG A 188 8.060 -9.165 -8.505 1.00 4.43 H new ATOM 0 HH22 ARG A 188 7.254 -10.432 -9.435 1.00 4.43 H new ATOM 639 N GLY A 189 6.376 -11.124 -3.035 1.00 2.21 N ATOM 640 CA GLY A 189 7.444 -11.888 -2.436 1.00 2.31 C ATOM 641 C GLY A 189 8.367 -10.997 -1.636 1.00 2.19 C ATOM 642 O GLY A 189 9.489 -11.379 -1.305 1.00 2.31 O ATOM 0 H GLY A 189 5.613 -10.890 -2.399 1.00 2.21 H new ATOM 0 HA2 GLY A 189 7.025 -12.658 -1.788 1.00 2.31 H new ATOM 0 HA3 GLY A 189 8.011 -12.399 -3.214 1.00 2.31 H new ATOM 646 N LEU A 190 7.887 -9.799 -1.331 1.00 1.98 N ATOM 647 CA LEU A 190 8.660 -8.821 -0.580 1.00 1.90 C ATOM 648 C LEU A 190 8.145 -8.727 0.847 1.00 1.80 C ATOM 649 O LEU A 190 7.112 -9.302 1.184 1.00 1.79 O ATOM 650 CB LEU A 190 8.589 -7.434 -1.236 1.00 1.80 C ATOM 651 CG LEU A 190 9.527 -7.198 -2.430 1.00 2.15 C ATOM 652 CD1 LEU A 190 9.143 -8.058 -3.620 1.00 2.28 C ATOM 653 CD2 LEU A 190 9.514 -5.734 -2.821 1.00 2.37 C ATOM 0 H LEU A 190 6.955 -9.479 -1.596 1.00 1.98 H new ATOM 0 HA LEU A 190 9.698 -9.153 -0.575 1.00 1.90 H new ATOM 0 HB2 LEU A 190 7.564 -7.264 -1.567 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.807 -6.684 -0.476 1.00 1.80 H new ATOM 0 HG LEU A 190 10.534 -7.482 -2.124 1.00 2.15 H new ATOM 0 HD11 LEU A 190 9.828 -7.864 -4.445 1.00 2.28 H new ATOM 0 HD12 LEU A 190 9.199 -9.110 -3.342 1.00 2.28 H new ATOM 0 HD13 LEU A 190 8.126 -7.818 -3.929 1.00 2.28 H new ATOM 0 HD21 LEU A 190 10.182 -5.578 -3.668 1.00 2.37 H new ATOM 0 HD22 LEU A 190 8.502 -5.440 -3.098 1.00 2.37 H new ATOM 0 HD23 LEU A 190 9.849 -5.129 -1.978 1.00 2.37 H new ATOM 665 N ILE A 191 8.862 -7.990 1.672 1.00 1.81 N ATOM 666 CA ILE A 191 8.483 -7.797 3.057 1.00 1.83 C ATOM 667 C ILE A 191 8.225 -6.323 3.333 1.00 1.70 C ATOM 668 O ILE A 191 8.941 -5.452 2.838 1.00 1.69 O ATOM 669 CB ILE A 191 9.569 -8.316 4.022 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.896 -7.586 3.784 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.743 -9.815 3.839 1.00 2.25 C ATOM 672 CD1 ILE A 191 11.956 -7.897 4.808 1.00 2.42 C ATOM 0 H ILE A 191 9.721 -7.510 1.402 1.00 1.81 H new ATOM 0 HA ILE A 191 7.571 -8.369 3.228 1.00 1.83 H new ATOM 0 HB ILE A 191 9.255 -8.119 5.047 1.00 2.08 H new ATOM 0 HG12 ILE A 191 11.272 -7.849 2.795 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.713 -6.512 3.780 1.00 2.17 H new ATOM 0 HG21 ILE A 191 10.511 -10.178 4.522 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.800 -10.319 4.051 1.00 2.25 H new ATOM 0 HG23 ILE A 191 10.043 -10.024 2.812 1.00 2.25 H new ATOM 0 HD11 ILE A 191 12.864 -7.343 4.571 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.602 -7.608 5.797 1.00 2.42 H new ATOM 0 HD13 ILE A 191 12.170 -8.966 4.797 1.00 2.42 H new ATOM 684 N PRO A 192 7.191 -6.030 4.135 1.00 1.68 N ATOM 685 CA PRO A 192 6.804 -4.655 4.472 1.00 1.62 C ATOM 686 C PRO A 192 7.837 -3.950 5.348 1.00 1.81 C ATOM 687 O PRO A 192 7.694 -2.770 5.663 1.00 1.84 O ATOM 688 CB PRO A 192 5.483 -4.826 5.230 1.00 1.67 C ATOM 689 CG PRO A 192 5.516 -6.219 5.758 1.00 1.84 C ATOM 690 CD PRO A 192 6.308 -7.026 4.765 1.00 1.78 C ATOM 0 HA PRO A 192 6.721 -4.032 3.581 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.395 -4.100 6.038 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.628 -4.674 4.571 1.00 1.67 H new ATOM 0 HG2 PRO A 192 5.980 -6.251 6.744 1.00 1.84 H new ATOM 0 HG3 PRO A 192 4.507 -6.618 5.868 1.00 1.84 H new ATOM 0 HD2 PRO A 192 6.879 -7.815 5.254 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.660 -7.508 4.033 1.00 1.78 H new ATOM 698 N GLU A 193 8.869 -4.682 5.747 1.00 2.01 N ATOM 699 CA GLU A 193 9.930 -4.126 6.569 1.00 2.24 C ATOM 700 C GLU A 193 10.829 -3.216 5.740 1.00 2.20 C ATOM 701 O GLU A 193 11.136 -2.093 6.137 1.00 2.35 O ATOM 702 CB GLU A 193 10.768 -5.246 7.187 1.00 2.47 C ATOM 703 CG GLU A 193 9.944 -6.310 7.891 1.00 2.64 C ATOM 704 CD GLU A 193 10.801 -7.328 8.614 1.00 2.94 C ATOM 705 OE1 GLU A 193 11.076 -8.401 8.039 1.00 3.24 O ATOM 706 OE2 GLU A 193 11.196 -7.062 9.769 1.00 3.32 O ATOM 0 H GLU A 193 8.992 -5.667 5.512 1.00 2.01 H new ATOM 0 HA GLU A 193 9.470 -3.541 7.366 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.361 -5.718 6.404 1.00 2.47 H new ATOM 0 HB3 GLU A 193 11.469 -4.812 7.900 1.00 2.47 H new ATOM 0 HG2 GLU A 193 9.274 -5.832 8.606 1.00 2.64 H new ATOM 0 HG3 GLU A 193 9.318 -6.822 7.160 1.00 2.64 H new ATOM 713 N CYS A 194 11.229 -3.703 4.576 1.00 2.09 N ATOM 714 CA CYS A 194 12.163 -2.986 3.721 1.00 2.14 C ATOM 715 C CYS A 194 11.437 -2.300 2.568 1.00 1.95 C ATOM 716 O CYS A 194 11.933 -2.252 1.447 1.00 2.06 O ATOM 717 CB CYS A 194 13.219 -3.955 3.186 1.00 2.29 C ATOM 718 SG CYS A 194 14.183 -4.771 4.478 1.00 2.85 S ATOM 0 H CYS A 194 10.919 -4.599 4.199 1.00 2.09 H new ATOM 0 HA CYS A 194 12.652 -2.212 4.313 1.00 2.14 H new ATOM 0 HB2 CYS A 194 12.727 -4.715 2.579 1.00 2.29 H new ATOM 0 HB3 CYS A 194 13.897 -3.411 2.528 1.00 2.29 H new ATOM 0 HG CYS A 194 15.049 -5.573 3.932 1.00 2.85 H new ATOM 724 N CYS A 195 10.257 -1.774 2.848 1.00 1.74 N ATOM 725 CA CYS A 195 9.473 -1.070 1.846 1.00 1.57 C ATOM 726 C CYS A 195 8.753 0.111 2.502 1.00 1.53 C ATOM 727 O CYS A 195 8.645 0.160 3.726 1.00 1.63 O ATOM 728 CB CYS A 195 8.472 -2.030 1.188 1.00 1.38 C ATOM 729 SG CYS A 195 9.255 -3.405 0.310 1.00 1.62 S ATOM 0 H CYS A 195 9.818 -1.821 3.767 1.00 1.74 H new ATOM 0 HA CYS A 195 10.133 -0.688 1.067 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.808 -2.430 1.954 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.851 -1.470 0.489 1.00 1.38 H new ATOM 0 HG CYS A 195 10.548 -3.289 0.387 1.00 1.62 H new ATOM 735 N ALA A 196 8.284 1.061 1.700 1.00 1.46 N ATOM 736 CA ALA A 196 7.634 2.259 2.223 1.00 1.48 C ATOM 737 C ALA A 196 6.353 2.559 1.476 1.00 1.27 C ATOM 738 O ALA A 196 6.193 2.155 0.339 1.00 1.25 O ATOM 739 CB ALA A 196 8.566 3.458 2.138 1.00 1.73 C ATOM 0 H ALA A 196 8.342 1.025 0.682 1.00 1.46 H new ATOM 0 HA ALA A 196 7.391 2.068 3.268 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.061 4.340 2.533 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.465 3.262 2.722 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.840 3.633 1.098 1.00 1.73 H new ATOM 745 N VAL A 197 5.445 3.282 2.098 1.00 1.22 N ATOM 746 CA VAL A 197 4.172 3.550 1.467 1.00 1.03 C ATOM 747 C VAL A 197 4.014 5.028 1.151 1.00 1.17 C ATOM 748 O VAL A 197 4.196 5.894 2.002 1.00 1.38 O ATOM 749 CB VAL A 197 3.004 3.045 2.329 1.00 0.96 C ATOM 750 CG1 VAL A 197 1.672 3.199 1.607 1.00 1.34 C ATOM 751 CG2 VAL A 197 3.243 1.601 2.699 1.00 1.38 C ATOM 0 H VAL A 197 5.562 3.689 3.026 1.00 1.22 H new ATOM 0 HA VAL A 197 4.152 3.002 0.525 1.00 1.03 H new ATOM 0 HB VAL A 197 2.954 3.649 3.235 1.00 0.96 H new ATOM 0 HG11 VAL A 197 0.868 2.832 2.245 1.00 1.34 H new ATOM 0 HG12 VAL A 197 1.502 4.251 1.377 1.00 1.34 H new ATOM 0 HG13 VAL A 197 1.691 2.624 0.681 1.00 1.34 H new ATOM 0 HG21 VAL A 197 2.416 1.240 3.311 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.313 1.000 1.792 1.00 1.38 H new ATOM 0 HG23 VAL A 197 4.173 1.519 3.262 1.00 1.38 H new ATOM 761 N TYR A 198 3.709 5.288 -0.100 1.00 1.15 N ATOM 762 CA TYR A 198 3.501 6.628 -0.609 1.00 1.34 C ATOM 763 C TYR A 198 2.184 6.687 -1.360 1.00 1.26 C ATOM 764 O TYR A 198 1.641 5.656 -1.751 1.00 1.14 O ATOM 765 CB TYR A 198 4.607 6.996 -1.589 1.00 1.63 C ATOM 766 CG TYR A 198 5.863 7.561 -0.984 1.00 1.72 C ATOM 767 CD1 TYR A 198 6.095 8.923 -1.023 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.833 6.743 -0.423 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.253 9.464 -0.524 1.00 2.34 C ATOM 770 CE2 TYR A 198 8.000 7.274 0.092 1.00 2.18 C ATOM 771 CZ TYR A 198 8.207 8.639 0.036 1.00 2.48 C ATOM 772 OH TYR A 198 9.373 9.180 0.534 1.00 2.99 O ATOM 0 H TYR A 198 3.596 4.561 -0.807 1.00 1.15 H new ATOM 0 HA TYR A 198 3.499 7.319 0.234 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.871 6.105 -2.159 1.00 1.63 H new ATOM 0 HB3 TYR A 198 4.210 7.723 -2.298 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.350 9.575 -1.455 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.674 5.675 -0.388 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.417 10.531 -0.569 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.744 6.628 0.534 1.00 2.18 H new ATOM 0 HH TYR A 198 9.938 8.465 0.894 1.00 2.99 H new ATOM 782 N ARG A 199 1.673 7.885 -1.562 1.00 1.43 N ATOM 783 CA ARG A 199 0.557 8.084 -2.467 1.00 1.48 C ATOM 784 C ARG A 199 0.692 9.423 -3.153 1.00 1.74 C ATOM 785 O ARG A 199 1.359 10.316 -2.647 1.00 1.91 O ATOM 786 CB ARG A 199 -0.789 7.975 -1.742 1.00 1.43 C ATOM 787 CG ARG A 199 -0.975 8.975 -0.617 1.00 1.49 C ATOM 788 CD ARG A 199 -2.331 8.807 0.049 1.00 1.54 C ATOM 789 NE ARG A 199 -2.563 9.814 1.084 1.00 1.88 N ATOM 790 CZ ARG A 199 -3.592 10.664 1.093 1.00 2.06 C ATOM 791 NH1 ARG A 199 -4.489 10.661 0.113 1.00 2.20 N ATOM 792 NH2 ARG A 199 -3.726 11.525 2.091 1.00 2.64 N ATOM 0 H ARG A 199 2.012 8.735 -1.112 1.00 1.43 H new ATOM 0 HA ARG A 199 0.580 7.293 -3.217 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.591 8.109 -2.468 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -0.890 6.968 -1.338 1.00 1.43 H new ATOM 0 HG2 ARG A 199 -0.185 8.845 0.123 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.882 9.988 -1.008 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -3.116 8.875 -0.705 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -2.397 7.812 0.490 1.00 1.54 H new ATOM 0 HE ARG A 199 -1.893 9.871 1.851 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -4.397 10.003 -0.661 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -5.270 11.317 0.134 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -3.044 11.537 2.849 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -4.511 12.176 2.101 1.00 2.64 H new ATOM 806 N ILE A 200 0.100 9.546 -4.319 1.00 1.86 N ATOM 807 CA ILE A 200 0.197 10.773 -5.079 1.00 2.14 C ATOM 808 C ILE A 200 -1.096 11.562 -4.996 1.00 2.23 C ATOM 809 O ILE A 200 -2.184 11.024 -5.204 1.00 2.21 O ATOM 810 CB ILE A 200 0.545 10.492 -6.555 1.00 2.31 C ATOM 811 CG1 ILE A 200 1.929 9.856 -6.648 1.00 2.35 C ATOM 812 CG2 ILE A 200 0.494 11.767 -7.386 1.00 2.60 C ATOM 813 CD1 ILE A 200 3.025 10.692 -6.044 1.00 2.31 C ATOM 0 H ILE A 200 -0.453 8.813 -4.762 1.00 1.86 H new ATOM 0 HA ILE A 200 1.001 11.365 -4.642 1.00 2.14 H new ATOM 0 HB ILE A 200 -0.197 9.802 -6.956 1.00 2.31 H new ATOM 0 HG12 ILE A 200 1.907 8.887 -6.149 1.00 2.35 H new ATOM 0 HG13 ILE A 200 2.163 9.670 -7.696 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.744 11.537 -8.422 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -0.509 12.191 -7.341 1.00 2.60 H new ATOM 0 HG23 ILE A 200 1.211 12.487 -6.991 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.978 10.173 -6.149 1.00 2.31 H new ATOM 0 HD12 ILE A 200 3.076 11.652 -6.558 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.816 10.857 -4.987 1.00 2.31 H new ATOM 825 N GLN A 201 -0.967 12.829 -4.658 1.00 2.38 N ATOM 826 CA GLN A 201 -2.094 13.732 -4.648 1.00 2.53 C ATOM 827 C GLN A 201 -1.879 14.770 -5.745 1.00 2.80 C ATOM 828 O GLN A 201 -1.393 14.420 -6.815 1.00 2.86 O ATOM 829 CB GLN A 201 -2.245 14.387 -3.272 1.00 2.58 C ATOM 830 CG GLN A 201 -3.656 14.877 -2.989 1.00 2.68 C ATOM 831 CD GLN A 201 -3.813 15.436 -1.591 1.00 2.82 C ATOM 832 OE1 GLN A 201 -3.145 15.001 -0.654 1.00 3.03 O ATOM 833 NE2 GLN A 201 -4.697 16.406 -1.442 1.00 3.22 N ATOM 0 H GLN A 201 -0.083 13.257 -4.384 1.00 2.38 H new ATOM 0 HA GLN A 201 -3.019 13.189 -4.842 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.956 13.671 -2.503 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.555 15.228 -3.200 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.921 15.646 -3.715 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -4.356 14.053 -3.127 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -5.230 16.738 -2.246 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -4.846 16.823 -0.523 1.00 3.22 H new ATOM 842 N ASP A 202 -2.195 16.028 -5.461 1.00 2.99 N ATOM 843 CA ASP A 202 -2.117 17.123 -6.437 1.00 3.26 C ATOM 844 C ASP A 202 -0.720 17.257 -7.047 1.00 3.36 C ATOM 845 O ASP A 202 0.063 18.113 -6.635 1.00 3.48 O ATOM 846 CB ASP A 202 -2.468 18.425 -5.734 1.00 3.44 C ATOM 847 CG ASP A 202 -2.728 19.566 -6.697 1.00 3.72 C ATOM 848 OD1 ASP A 202 -3.889 19.741 -7.114 1.00 3.97 O ATOM 849 OD2 ASP A 202 -1.781 20.305 -7.031 1.00 4.02 O ATOM 0 H ASP A 202 -2.516 16.326 -4.540 1.00 2.99 H new ATOM 0 HA ASP A 202 -2.815 16.903 -7.245 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -3.352 18.271 -5.115 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.654 18.701 -5.064 1.00 3.44 H new ATOM 854 N GLY A 203 -0.402 16.396 -8.006 1.00 3.34 N ATOM 855 CA GLY A 203 0.906 16.407 -8.626 1.00 3.46 C ATOM 856 C GLY A 203 2.019 16.162 -7.626 1.00 3.33 C ATOM 857 O GLY A 203 3.195 16.341 -7.944 1.00 3.47 O ATOM 0 H GLY A 203 -1.036 15.683 -8.367 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.944 15.643 -9.403 1.00 3.46 H new ATOM 0 HA3 GLY A 203 1.065 17.368 -9.116 1.00 3.46 H new ATOM 861 N GLU A 204 1.654 15.754 -6.417 1.00 3.11 N ATOM 862 CA GLU A 204 2.615 15.659 -5.338 1.00 3.04 C ATOM 863 C GLU A 204 2.543 14.306 -4.653 1.00 2.75 C ATOM 864 O GLU A 204 1.715 13.465 -4.989 1.00 2.61 O ATOM 865 CB GLU A 204 2.352 16.767 -4.324 1.00 3.15 C ATOM 866 CG GLU A 204 1.079 16.562 -3.530 1.00 3.02 C ATOM 867 CD GLU A 204 0.844 17.651 -2.504 1.00 3.20 C ATOM 868 OE1 GLU A 204 1.480 17.608 -1.432 1.00 3.45 O ATOM 869 OE2 GLU A 204 0.018 18.554 -2.759 1.00 3.48 O ATOM 0 H GLU A 204 0.703 15.486 -6.165 1.00 3.11 H new ATOM 0 HA GLU A 204 3.615 15.771 -5.758 1.00 3.04 H new ATOM 0 HB2 GLU A 204 3.195 16.828 -3.636 1.00 3.15 H new ATOM 0 HB3 GLU A 204 2.297 17.722 -4.846 1.00 3.15 H new ATOM 0 HG2 GLU A 204 0.231 16.525 -4.214 1.00 3.02 H new ATOM 0 HG3 GLU A 204 1.123 15.597 -3.025 1.00 3.02 H new ATOM 876 N LYS A 205 3.406 14.127 -3.676 1.00 2.71 N ATOM 877 CA LYS A 205 3.526 12.876 -2.958 1.00 2.46 C ATOM 878 C LYS A 205 3.220 13.059 -1.484 1.00 2.42 C ATOM 879 O LYS A 205 3.616 14.046 -0.863 1.00 2.62 O ATOM 880 CB LYS A 205 4.936 12.323 -3.109 1.00 2.49 C ATOM 881 CG LYS A 205 5.330 12.087 -4.543 1.00 2.61 C ATOM 882 CD LYS A 205 6.787 11.706 -4.672 1.00 2.75 C ATOM 883 CE LYS A 205 7.108 10.457 -3.882 1.00 2.53 C ATOM 884 NZ LYS A 205 8.489 9.974 -4.146 1.00 2.70 N ATOM 0 H LYS A 205 4.049 14.851 -3.355 1.00 2.71 H new ATOM 0 HA LYS A 205 2.805 12.177 -3.381 1.00 2.46 H new ATOM 0 HB2 LYS A 205 5.642 13.018 -2.654 1.00 2.49 H new ATOM 0 HB3 LYS A 205 5.012 11.385 -2.559 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.709 11.296 -4.965 1.00 2.61 H new ATOM 0 HG3 LYS A 205 5.137 12.988 -5.125 1.00 2.61 H new ATOM 0 HD2 LYS A 205 7.030 11.545 -5.722 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.411 12.529 -4.323 1.00 2.75 H new ATOM 0 HE2 LYS A 205 6.992 10.661 -2.818 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.394 9.673 -4.136 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 8.670 9.117 -3.586 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 8.593 9.755 -5.157 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 9.172 10.712 -3.880 1.00 2.70 H new ATOM 898 N LYS A 206 2.514 12.094 -0.945 1.00 2.19 N ATOM 899 CA LYS A 206 2.227 12.030 0.471 1.00 2.19 C ATOM 900 C LYS A 206 2.786 10.728 1.018 1.00 2.01 C ATOM 901 O LYS A 206 2.280 9.652 0.689 1.00 1.82 O ATOM 902 CB LYS A 206 0.717 12.077 0.734 1.00 2.17 C ATOM 903 CG LYS A 206 0.008 13.301 0.175 1.00 2.38 C ATOM 904 CD LYS A 206 0.546 14.590 0.768 1.00 2.68 C ATOM 905 CE LYS A 206 -0.346 15.770 0.423 1.00 2.93 C ATOM 906 NZ LYS A 206 0.256 17.063 0.830 1.00 3.25 N ATOM 0 H LYS A 206 2.118 11.322 -1.481 1.00 2.19 H new ATOM 0 HA LYS A 206 2.686 12.888 0.962 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.261 11.184 0.307 1.00 2.17 H new ATOM 0 HB3 LYS A 206 0.549 12.038 1.810 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.125 13.324 -0.909 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -1.060 13.226 0.379 1.00 2.38 H new ATOM 0 HD2 LYS A 206 0.620 14.492 1.851 1.00 2.68 H new ATOM 0 HD3 LYS A 206 1.554 14.772 0.395 1.00 2.68 H new ATOM 0 HE2 LYS A 206 -0.534 15.780 -0.651 1.00 2.93 H new ATOM 0 HE3 LYS A 206 -1.312 15.650 0.914 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 -0.499 17.751 1.028 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 0.831 16.924 1.686 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 0.859 17.422 0.062 1.00 3.25 H new ATOM 920 N PRO A 207 3.859 10.788 1.811 1.00 2.11 N ATOM 921 CA PRO A 207 4.399 9.600 2.455 1.00 2.00 C ATOM 922 C PRO A 207 3.481 9.118 3.562 1.00 1.97 C ATOM 923 O PRO A 207 3.062 9.891 4.425 1.00 2.17 O ATOM 924 CB PRO A 207 5.740 10.060 3.006 1.00 2.22 C ATOM 925 CG PRO A 207 5.601 11.533 3.189 1.00 2.47 C ATOM 926 CD PRO A 207 4.629 12.001 2.138 1.00 2.38 C ATOM 0 HA PRO A 207 4.499 8.757 1.771 1.00 2.00 H new ATOM 0 HB2 PRO A 207 5.969 9.565 3.950 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.551 9.823 2.317 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.235 11.768 4.189 1.00 2.47 H new ATOM 0 HG3 PRO A 207 6.564 12.031 3.077 1.00 2.47 H new ATOM 0 HD2 PRO A 207 3.984 12.796 2.514 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.145 12.396 1.263 1.00 2.38 H new ATOM 934 N ILE A 208 3.155 7.847 3.519 1.00 1.77 N ATOM 935 CA ILE A 208 2.163 7.286 4.413 1.00 1.77 C ATOM 936 C ILE A 208 2.817 6.571 5.591 1.00 1.91 C ATOM 937 O ILE A 208 3.951 6.098 5.498 1.00 1.91 O ATOM 938 CB ILE A 208 1.252 6.325 3.629 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.515 7.104 2.537 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.268 5.629 4.556 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.188 6.274 1.322 1.00 1.18 C ATOM 0 H ILE A 208 3.565 7.176 2.870 1.00 1.77 H new ATOM 0 HA ILE A 208 1.562 8.099 4.821 1.00 1.77 H new ATOM 0 HB ILE A 208 1.866 5.553 3.165 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.409 7.508 2.951 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.126 7.954 2.233 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.364 4.956 3.977 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.816 5.058 5.305 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.354 6.374 5.051 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.334 6.890 0.590 1.00 1.18 H new ATOM 0 HD12 ILE A 208 1.110 5.892 0.884 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.449 5.439 1.613 1.00 1.18 H new ATOM 953 N GLY A 209 2.090 6.506 6.695 1.00 2.07 N ATOM 954 CA GLY A 209 2.601 5.882 7.892 1.00 2.25 C ATOM 955 C GLY A 209 2.139 4.450 8.001 1.00 2.13 C ATOM 956 O GLY A 209 1.033 4.117 7.577 1.00 2.01 O ATOM 0 H GLY A 209 1.145 6.879 6.781 1.00 2.07 H new ATOM 0 HA2 GLY A 209 3.690 5.916 7.886 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.269 6.441 8.767 1.00 2.25 H new ATOM 960 N TRP A 210 2.966 3.601 8.582 1.00 2.20 N ATOM 961 CA TRP A 210 2.668 2.179 8.639 1.00 2.11 C ATOM 962 C TRP A 210 1.579 1.864 9.657 1.00 2.30 C ATOM 963 O TRP A 210 1.009 0.771 9.654 1.00 2.25 O ATOM 964 CB TRP A 210 3.933 1.374 8.929 1.00 2.18 C ATOM 965 CG TRP A 210 4.823 1.254 7.731 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.903 2.031 7.423 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.697 0.301 6.672 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.455 1.616 6.235 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.730 0.554 5.755 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.807 -0.747 6.413 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.897 -0.201 4.598 1.00 1.40 C ATOM 972 CZ3 TRP A 210 3.974 -1.494 5.263 1.00 1.31 C ATOM 973 CH2 TRP A 210 5.011 -1.216 4.368 1.00 1.24 C ATOM 0 H TRP A 210 3.847 3.868 9.020 1.00 2.20 H new ATOM 0 HA TRP A 210 2.287 1.887 7.660 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.484 1.849 9.741 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.655 0.378 9.272 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.269 2.850 8.024 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.271 2.030 5.783 1.00 1.86 H new ATOM 0 HE3 TRP A 210 3.004 -0.968 7.100 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.699 0.008 3.906 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 3.293 -2.305 5.052 1.00 1.31 H new ATOM 0 HH2 TRP A 210 5.114 -1.816 3.476 1.00 1.24 H new ATOM 984 N ASP A 211 1.278 2.827 10.510 1.00 2.54 N ATOM 985 CA ASP A 211 0.259 2.666 11.512 1.00 2.76 C ATOM 986 C ASP A 211 -0.975 3.471 11.144 1.00 2.71 C ATOM 987 O ASP A 211 -1.797 3.800 11.995 1.00 2.92 O ATOM 988 CB ASP A 211 0.790 3.105 12.862 1.00 3.09 C ATOM 989 CG ASP A 211 1.822 2.148 13.426 1.00 3.39 C ATOM 990 OD1 ASP A 211 1.440 1.230 14.184 1.00 3.79 O ATOM 991 OD2 ASP A 211 3.022 2.307 13.115 1.00 3.79 O ATOM 0 H ASP A 211 1.736 3.738 10.521 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.019 1.614 11.567 1.00 2.76 H new ATOM 0 HB2 ASP A 211 1.233 4.096 12.768 1.00 3.09 H new ATOM 0 HB3 ASP A 211 -0.040 3.192 13.563 1.00 3.09 H new ATOM 996 N THR A 212 -1.081 3.798 9.868 1.00 2.44 N ATOM 997 CA THR A 212 -2.234 4.504 9.350 1.00 2.39 C ATOM 998 C THR A 212 -3.353 3.516 9.041 1.00 2.29 C ATOM 999 O THR A 212 -3.123 2.505 8.378 1.00 2.10 O ATOM 1000 CB THR A 212 -1.857 5.291 8.078 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.922 6.325 8.404 1.00 2.33 O ATOM 1002 CG2 THR A 212 -3.081 5.904 7.407 1.00 2.12 C ATOM 0 H THR A 212 -0.373 3.582 9.167 1.00 2.44 H new ATOM 0 HA THR A 212 -2.580 5.210 10.105 1.00 2.39 H new ATOM 0 HB THR A 212 -1.406 4.588 7.377 1.00 2.18 H new ATOM 0 HG1 THR A 212 -0.014 5.957 8.402 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.772 6.450 6.515 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.776 5.113 7.126 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.571 6.588 8.099 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.544 3.789 9.558 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.704 2.950 9.284 1.00 2.43 C ATOM 1012 C ASP A 213 -6.052 3.030 7.803 1.00 2.14 C ATOM 1013 O ASP A 213 -6.451 4.084 7.304 1.00 2.12 O ATOM 1014 CB ASP A 213 -6.898 3.388 10.134 1.00 2.70 C ATOM 1015 CG ASP A 213 -8.018 2.364 10.152 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -8.439 1.912 9.070 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -8.497 2.019 11.256 1.00 3.47 O ATOM 0 H ASP A 213 -4.732 4.584 10.169 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.464 1.919 9.542 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.563 3.571 11.155 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.283 4.333 9.751 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.906 1.910 7.109 1.00 1.95 N ATOM 1023 CA ILE A 214 -6.034 1.884 5.658 1.00 1.68 C ATOM 1024 C ILE A 214 -7.488 2.076 5.207 1.00 1.75 C ATOM 1025 O ILE A 214 -7.748 2.405 4.048 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.446 0.577 5.060 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.598 0.564 3.532 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -6.093 -0.651 5.682 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.144 -0.718 2.875 1.00 1.17 C ATOM 0 H ILE A 214 -5.698 1.004 7.529 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.455 2.725 5.276 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.382 0.547 5.297 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.644 0.737 3.281 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -5.029 1.394 3.114 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.661 -1.551 5.244 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.916 -0.650 6.758 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -7.166 -0.633 5.491 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.285 -0.644 1.797 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.089 -0.884 3.092 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.730 -1.552 3.261 1.00 1.17 H new ATOM 1041 N SER A 215 -8.439 1.927 6.123 1.00 2.01 N ATOM 1042 CA SER A 215 -9.840 2.063 5.749 1.00 2.14 C ATOM 1043 C SER A 215 -10.200 3.524 5.491 1.00 2.17 C ATOM 1044 O SER A 215 -11.288 3.827 5.005 1.00 2.27 O ATOM 1045 CB SER A 215 -10.768 1.464 6.807 1.00 2.43 C ATOM 1046 OG SER A 215 -10.693 2.173 8.032 1.00 2.91 O ATOM 0 H SER A 215 -8.271 1.717 7.107 1.00 2.01 H new ATOM 0 HA SER A 215 -9.982 1.503 4.824 1.00 2.14 H new ATOM 0 HB2 SER A 215 -11.794 1.478 6.441 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.503 0.420 6.974 1.00 2.43 H new ATOM 0 HG SER A 215 -9.771 2.469 8.183 1.00 2.91 H new ATOM 1052 N TRP A 216 -9.284 4.425 5.815 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.481 5.838 5.535 1.00 2.20 C ATOM 1054 C TRP A 216 -8.961 6.173 4.142 1.00 1.97 C ATOM 1055 O TRP A 216 -9.419 7.114 3.498 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.755 6.694 6.573 1.00 2.34 C ATOM 1057 CG TRP A 216 -9.230 6.487 7.979 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -10.471 6.081 8.382 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -8.467 6.689 9.173 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -10.522 6.013 9.752 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -9.304 6.383 10.261 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -7.154 7.097 9.426 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -8.870 6.473 11.581 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -6.725 7.186 10.735 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -7.581 6.874 11.799 1.00 4.80 C ATOM 0 H TRP A 216 -8.399 4.203 6.271 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.548 6.054 5.583 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -7.688 6.476 6.526 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -8.877 7.745 6.311 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -11.292 5.848 7.720 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -11.334 5.733 10.302 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -6.487 7.338 8.612 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -9.528 6.235 12.403 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.713 7.501 10.942 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -7.215 6.952 12.812 1.00 4.80 H new ATOM 1076 N LEU A 217 -8.003 5.379 3.687 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.305 5.622 2.437 1.00 1.56 C ATOM 1078 C LEU A 217 -7.970 4.917 1.255 1.00 1.52 C ATOM 1079 O LEU A 217 -7.342 4.720 0.216 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.853 5.153 2.576 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.957 6.026 3.467 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -5.460 6.095 4.899 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -3.527 5.525 3.439 1.00 1.78 C ATOM 0 H LEU A 217 -7.687 4.543 4.179 1.00 1.74 H new ATOM 0 HA LEU A 217 -7.342 6.692 2.233 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.854 4.139 2.975 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.409 5.104 1.582 1.00 1.37 H new ATOM 0 HG LEU A 217 -4.991 7.037 3.060 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -4.793 6.724 5.489 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -6.464 6.519 4.912 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -5.484 5.092 5.325 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -2.908 6.156 4.076 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -3.494 4.498 3.803 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -3.149 5.560 2.417 1.00 1.78 H new ATOM 1095 N THR A 218 -9.229 4.524 1.414 1.00 1.67 N ATOM 1096 CA THR A 218 -9.979 3.922 0.320 1.00 1.73 C ATOM 1097 C THR A 218 -10.080 4.871 -0.874 1.00 1.80 C ATOM 1098 O THR A 218 -10.034 6.093 -0.723 1.00 1.87 O ATOM 1099 CB THR A 218 -11.395 3.551 0.759 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.380 3.122 2.127 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.958 2.440 -0.112 1.00 2.03 C ATOM 0 H THR A 218 -9.749 4.611 2.287 1.00 1.67 H new ATOM 0 HA THR A 218 -9.436 3.023 0.028 1.00 1.73 H new ATOM 0 HB THR A 218 -12.029 4.432 0.654 1.00 1.96 H new ATOM 0 HG1 THR A 218 -12.289 2.887 2.406 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.967 2.193 0.220 1.00 2.03 H new ATOM 0 HG22 THR A 218 -11.988 2.771 -1.150 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.323 1.557 -0.031 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.225 4.293 -2.057 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.335 5.078 -3.273 1.00 2.01 C ATOM 1111 C GLY A 219 -8.988 5.516 -3.818 1.00 1.92 C ATOM 1112 O GLY A 219 -8.849 5.773 -5.016 1.00 2.12 O ATOM 0 H GLY A 219 -10.269 3.284 -2.199 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -10.855 4.493 -4.031 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -10.946 5.959 -3.076 1.00 2.01 H new ATOM 1116 N GLU A 220 -7.996 5.578 -2.946 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.679 6.065 -3.314 1.00 1.64 C ATOM 1118 C GLU A 220 -5.869 4.977 -3.997 1.00 1.53 C ATOM 1119 O GLU A 220 -6.012 3.794 -3.689 1.00 1.46 O ATOM 1120 CB GLU A 220 -5.932 6.544 -2.068 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.537 7.774 -1.418 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.335 9.022 -2.245 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -7.290 9.460 -2.919 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -5.215 9.572 -2.226 1.00 2.61 O ATOM 0 H GLU A 220 -8.080 5.294 -1.970 1.00 1.70 H new ATOM 0 HA GLU A 220 -6.808 6.895 -4.009 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -5.908 5.735 -1.338 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -4.898 6.760 -2.338 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.604 7.612 -1.264 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -6.091 7.918 -0.434 1.00 1.91 H new ATOM 1131 N GLU A 221 -5.044 5.377 -4.944 1.00 1.59 N ATOM 1132 CA GLU A 221 -4.042 4.487 -5.485 1.00 1.54 C ATOM 1133 C GLU A 221 -2.699 4.830 -4.863 1.00 1.38 C ATOM 1134 O GLU A 221 -2.163 5.919 -5.062 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.976 4.576 -7.009 1.00 1.83 C ATOM 1136 CG GLU A 221 -5.259 4.129 -7.699 1.00 2.05 C ATOM 1137 CD GLU A 221 -5.149 4.091 -9.209 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -5.050 5.168 -9.830 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -5.186 2.984 -9.789 1.00 3.06 O ATOM 0 H GLU A 221 -5.049 6.311 -5.353 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.309 3.459 -5.241 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.758 5.605 -7.296 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -3.148 3.963 -7.366 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -5.531 3.137 -7.337 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -6.068 4.804 -7.418 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.184 3.901 -4.091 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.939 4.087 -3.367 1.00 1.01 C ATOM 1148 C LEU A 222 0.203 3.502 -4.170 1.00 1.13 C ATOM 1149 O LEU A 222 -0.022 2.863 -5.185 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.028 3.387 -2.002 1.00 0.74 C ATOM 1151 CG LEU A 222 -1.548 4.232 -0.834 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -2.818 4.983 -1.208 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -1.799 3.342 0.372 1.00 1.24 C ATOM 0 H LEU A 222 -2.616 2.989 -3.944 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.763 5.151 -3.213 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.674 2.515 -2.107 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.036 3.019 -1.742 1.00 0.74 H new ATOM 0 HG LEU A 222 -0.788 4.973 -0.587 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -3.157 5.571 -0.355 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.614 5.646 -2.048 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -3.593 4.270 -1.488 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.169 3.947 1.200 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -2.540 2.584 0.117 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -0.869 2.855 0.665 1.00 1.24 H new ATOM 1165 N HIS A 223 1.422 3.738 -3.729 1.00 1.13 N ATOM 1166 CA HIS A 223 2.580 3.124 -4.349 1.00 1.30 C ATOM 1167 C HIS A 223 3.662 2.896 -3.310 1.00 1.19 C ATOM 1168 O HIS A 223 3.946 3.770 -2.490 1.00 1.19 O ATOM 1169 CB HIS A 223 3.103 3.951 -5.535 1.00 1.64 C ATOM 1170 CG HIS A 223 3.617 5.321 -5.197 1.00 1.93 C ATOM 1171 ND1 HIS A 223 4.955 5.598 -5.025 1.00 2.62 N ATOM 1172 CD2 HIS A 223 2.972 6.507 -5.072 1.00 2.09 C ATOM 1173 CE1 HIS A 223 5.113 6.886 -4.816 1.00 3.31 C ATOM 1174 NE2 HIS A 223 3.926 7.469 -4.841 1.00 2.97 N ATOM 0 H HIS A 223 1.637 4.351 -2.943 1.00 1.13 H new ATOM 0 HA HIS A 223 2.277 2.159 -4.755 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.904 3.392 -6.019 1.00 1.64 H new ATOM 0 HB3 HIS A 223 2.300 4.054 -6.265 1.00 1.64 H new ATOM 0 HD1 HIS A 223 5.707 4.910 -5.055 1.00 2.62 H new ATOM 0 HD2 HIS A 223 1.906 6.666 -5.141 1.00 2.09 H new ATOM 0 HE1 HIS A 223 6.056 7.386 -4.651 1.00 3.31 H new ATOM 1183 N VAL A 224 4.238 1.710 -3.335 1.00 1.19 N ATOM 1184 CA VAL A 224 5.205 1.309 -2.337 1.00 1.14 C ATOM 1185 C VAL A 224 6.615 1.409 -2.874 1.00 1.40 C ATOM 1186 O VAL A 224 6.896 1.052 -4.019 1.00 1.58 O ATOM 1187 CB VAL A 224 4.938 -0.127 -1.847 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.908 -0.538 -0.746 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.523 -0.222 -1.349 1.00 1.10 C ATOM 0 H VAL A 224 4.049 1.002 -4.044 1.00 1.19 H new ATOM 0 HA VAL A 224 5.100 1.992 -1.494 1.00 1.14 H new ATOM 0 HB VAL A 224 5.088 -0.809 -2.684 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.687 -1.557 -0.428 1.00 1.23 H new ATOM 0 HG12 VAL A 224 6.929 -0.490 -1.124 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.803 0.138 0.102 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.327 -1.236 -1.001 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.379 0.478 -0.526 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.835 0.023 -2.158 1.00 1.10 H new ATOM 1199 N GLU A 225 7.488 1.877 -2.019 1.00 1.47 N ATOM 1200 CA GLU A 225 8.881 2.045 -2.340 1.00 1.74 C ATOM 1201 C GLU A 225 9.651 0.978 -1.597 1.00 1.75 C ATOM 1202 O GLU A 225 9.088 0.287 -0.760 1.00 1.70 O ATOM 1203 CB GLU A 225 9.351 3.429 -1.897 1.00 1.91 C ATOM 1204 CG GLU A 225 8.476 4.559 -2.403 1.00 1.95 C ATOM 1205 CD GLU A 225 8.402 4.622 -3.916 1.00 2.31 C ATOM 1206 OE1 GLU A 225 9.442 4.902 -4.551 1.00 2.72 O ATOM 1207 OE2 GLU A 225 7.308 4.408 -4.477 1.00 2.74 O ATOM 0 H GLU A 225 7.247 2.156 -1.068 1.00 1.47 H new ATOM 0 HA GLU A 225 9.042 1.956 -3.414 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.379 3.462 -0.808 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.371 3.586 -2.247 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.470 4.440 -2.001 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.861 5.506 -2.024 1.00 1.95 H new ATOM 1214 N VAL A 226 10.906 0.810 -1.909 1.00 1.95 N ATOM 1215 CA VAL A 226 11.726 -0.139 -1.183 1.00 2.02 C ATOM 1216 C VAL A 226 12.808 0.575 -0.396 1.00 2.19 C ATOM 1217 O VAL A 226 13.706 1.191 -0.971 1.00 2.37 O ATOM 1218 CB VAL A 226 12.369 -1.157 -2.112 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.245 -2.140 -1.349 1.00 2.61 C ATOM 1220 CG2 VAL A 226 11.310 -1.891 -2.909 1.00 2.56 C ATOM 0 H VAL A 226 11.388 1.311 -2.655 1.00 1.95 H new ATOM 0 HA VAL A 226 11.065 -0.668 -0.496 1.00 2.02 H new ATOM 0 HB VAL A 226 13.013 -0.613 -2.803 1.00 2.21 H new ATOM 0 HG11 VAL A 226 13.687 -2.851 -2.047 1.00 2.61 H new ATOM 0 HG12 VAL A 226 14.037 -1.597 -0.834 1.00 2.61 H new ATOM 0 HG13 VAL A 226 12.639 -2.677 -0.619 1.00 2.61 H new ATOM 0 HG21 VAL A 226 11.788 -2.615 -3.568 1.00 2.56 H new ATOM 0 HG22 VAL A 226 10.636 -2.410 -2.227 1.00 2.56 H new ATOM 0 HG23 VAL A 226 10.743 -1.176 -3.505 1.00 2.56 H new