USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 971 THR OG1 : rot 137:sc= -3.11! USER MOD Set 1.2: A 973 GLN : amide:sc= 0 X(o=-10,f=-10) USER MOD Set 1.3: A 974 GLN : amide:sc= -7.29! C(o=-10!,f=-10!) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -0.446! K(o=-0.45!,f=-1.7) USER MOD Single : A 968 LYS NZ :NH3+ 161:sc= -0.038 (180deg=-0.508) USER MOD Single : A 970 MET CE :methyl -166:sc= -0.0127 (180deg=-0.601) USER MOD Single : A 979 LYS NZ :NH3+ 143:sc= -0.789 (180deg=-2.87!) USER MOD Single : A 984 SER OG : rot -12:sc= 0.431 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -151:sc= 0.592 USER MOD Single : A 992 GLN : amide:sc= -7.13! K(o=-7.1!,f=-3.6) USER MOD Single : A 994 TYR OH : rot -11:sc= 0.403 USER MOD Single : A 995 ASN : amide:sc= 0.366 K(o=0.37,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 952 -7.926 7.367 8.187 1.00 0.00 N ATOM 93 CA ARG A 952 -7.188 8.306 9.031 1.00 0.00 C ATOM 94 C ARG A 952 -6.188 9.105 8.200 1.00 0.00 C ATOM 95 O ARG A 952 -6.018 8.855 7.006 1.00 0.00 O ATOM 96 CB ARG A 952 -6.443 7.534 10.121 1.00 0.00 C ATOM 97 CG ARG A 952 -7.450 6.821 11.024 1.00 0.00 C ATOM 98 CD ARG A 952 -6.701 6.038 12.100 1.00 0.00 C ATOM 99 NE ARG A 952 -5.926 4.961 11.494 1.00 0.00 N ATOM 100 CZ ARG A 952 -5.124 4.193 12.225 1.00 0.00 C ATOM 101 NH1 ARG A 952 -5.009 4.406 13.507 1.00 0.00 N ATOM 102 NH2 ARG A 952 -4.450 3.230 11.659 1.00 0.00 N ATOM 0 HA ARG A 952 -7.897 8.999 9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.767 6.808 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.831 8.217 10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.119 7.547 11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -8.071 6.147 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.039 6.706 12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -7.409 5.626 12.819 1.00 0.00 H new ATOM 0 HE ARG A 952 -6.001 4.794 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -5.534 5.161 13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -4.394 3.817 14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -4.538 3.067 10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -3.835 2.640 12.219 1.00 0.00 H new ATOM 116 N ASP A 953 -5.530 10.069 8.838 1.00 0.00 N ATOM 117 CA ASP A 953 -4.552 10.898 8.142 1.00 0.00 C ATOM 118 C ASP A 953 -3.397 10.044 7.627 1.00 0.00 C ATOM 119 O ASP A 953 -2.896 10.263 6.525 1.00 0.00 O ATOM 120 CB ASP A 953 -4.029 11.990 9.081 1.00 0.00 C ATOM 121 CG ASP A 953 -3.481 11.375 10.365 1.00 0.00 C ATOM 122 OD1 ASP A 953 -3.522 10.162 10.485 1.00 0.00 O ATOM 123 OD2 ASP A 953 -3.040 12.129 11.215 1.00 0.00 O ATOM 0 H ASP A 953 -5.654 10.294 9.825 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.038 11.369 7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.247 12.562 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -4.832 12.688 9.319 1.00 0.00 H new ATOM 128 N ASP A 954 -2.994 9.059 8.423 1.00 0.00 N ATOM 129 CA ASP A 954 -1.915 8.160 8.026 1.00 0.00 C ATOM 130 C ASP A 954 -2.404 7.213 6.934 1.00 0.00 C ATOM 131 O ASP A 954 -1.668 6.885 6.003 1.00 0.00 O ATOM 132 CB ASP A 954 -1.435 7.354 9.234 1.00 0.00 C ATOM 133 CG ASP A 954 -2.631 6.753 9.964 1.00 0.00 C ATOM 134 OD1 ASP A 954 -3.592 7.473 10.175 1.00 0.00 O ATOM 135 OD2 ASP A 954 -2.567 5.582 10.303 1.00 0.00 O ATOM 0 H ASP A 954 -3.395 8.863 9.340 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.085 8.752 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -0.760 6.562 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -0.870 7.996 9.910 1.00 0.00 H new ATOM 140 N GLU A 955 -3.653 6.779 7.063 1.00 0.00 N ATOM 141 CA GLU A 955 -4.245 5.871 6.089 1.00 0.00 C ATOM 142 C GLU A 955 -4.475 6.577 4.757 1.00 0.00 C ATOM 143 O GLU A 955 -4.242 6.003 3.693 1.00 0.00 O ATOM 144 CB GLU A 955 -5.573 5.337 6.624 1.00 0.00 C ATOM 145 CG GLU A 955 -5.318 4.487 7.873 1.00 0.00 C ATOM 146 CD GLU A 955 -4.602 3.194 7.492 1.00 0.00 C ATOM 147 OE1 GLU A 955 -4.493 2.926 6.306 1.00 0.00 O ATOM 148 OE2 GLU A 955 -4.171 2.491 8.391 1.00 0.00 O ATOM 0 H GLU A 955 -4.273 7.040 7.830 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.555 5.043 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.239 6.165 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -6.071 4.739 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.716 5.048 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.263 4.257 8.365 1.00 0.00 H new ATOM 155 N TYR A 956 -4.936 7.822 4.819 1.00 0.00 N ATOM 156 CA TYR A 956 -5.187 8.585 3.602 1.00 0.00 C ATOM 157 C TYR A 956 -3.883 8.764 2.836 1.00 0.00 C ATOM 158 O TYR A 956 -3.834 8.606 1.616 1.00 0.00 O ATOM 159 CB TYR A 956 -5.777 9.953 3.947 1.00 0.00 C ATOM 160 CG TYR A 956 -6.107 10.693 2.672 1.00 0.00 C ATOM 161 CD1 TYR A 956 -7.349 10.495 2.056 1.00 0.00 C ATOM 162 CD2 TYR A 956 -5.175 11.568 2.105 1.00 0.00 C ATOM 163 CE1 TYR A 956 -7.659 11.177 0.873 1.00 0.00 C ATOM 164 CE2 TYR A 956 -5.486 12.250 0.924 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.728 12.055 0.308 1.00 0.00 C ATOM 166 OH TYR A 956 -7.037 12.726 -0.858 1.00 0.00 O ATOM 0 H TYR A 956 -5.141 8.318 5.686 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.901 8.042 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.675 9.832 4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.067 10.528 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -8.067 9.817 2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -4.216 11.717 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -8.616 11.025 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.767 12.928 0.487 1.00 0.00 H new ATOM 0 HH TYR A 956 -6.283 13.297 -1.117 1.00 0.00 H new ATOM 176 N ASP A 957 -2.830 9.089 3.577 1.00 0.00 N ATOM 177 CA ASP A 957 -1.513 9.285 2.984 1.00 0.00 C ATOM 178 C ASP A 957 -1.006 7.981 2.381 1.00 0.00 C ATOM 179 O ASP A 957 -0.379 7.974 1.322 1.00 0.00 O ATOM 180 CB ASP A 957 -0.532 9.772 4.052 1.00 0.00 C ATOM 181 CG ASP A 957 0.772 10.225 3.405 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.745 10.561 2.234 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.781 10.222 4.093 1.00 0.00 O ATOM 0 H ASP A 957 -2.863 9.222 4.588 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.591 10.033 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.973 10.596 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.333 8.972 4.765 1.00 0.00 H new ATOM 188 N GLU A 958 -1.288 6.878 3.066 1.00 0.00 N ATOM 189 CA GLU A 958 -0.864 5.566 2.594 1.00 0.00 C ATOM 190 C GLU A 958 -1.587 5.213 1.300 1.00 0.00 C ATOM 191 O GLU A 958 -0.995 4.649 0.378 1.00 0.00 O ATOM 192 CB GLU A 958 -1.161 4.511 3.662 1.00 0.00 C ATOM 193 CG GLU A 958 -0.619 3.153 3.212 1.00 0.00 C ATOM 194 CD GLU A 958 -0.868 2.111 4.296 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.136 2.507 5.418 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.792 0.933 3.988 1.00 0.00 O ATOM 0 H GLU A 958 -1.805 6.866 3.945 1.00 0.00 H new ATOM 0 HA GLU A 958 0.209 5.589 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -0.704 4.800 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -2.235 4.446 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -1.103 2.848 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.449 3.228 3.006 1.00 0.00 H new ATOM 203 N TRP A 959 -2.871 5.552 1.234 1.00 0.00 N ATOM 204 CA TRP A 959 -3.666 5.276 0.048 1.00 0.00 C ATOM 205 C TRP A 959 -3.147 6.095 -1.136 1.00 0.00 C ATOM 206 O TRP A 959 -2.961 5.579 -2.229 1.00 0.00 O ATOM 207 CB TRP A 959 -5.137 5.593 0.339 1.00 0.00 C ATOM 208 CG TRP A 959 -5.941 5.563 -0.915 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.067 4.503 -1.746 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.741 6.629 -1.482 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.900 4.858 -2.792 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.341 6.162 -2.673 1.00 0.00 C ATOM 213 CE3 TRP A 959 -6.999 7.948 -1.079 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.173 6.979 -3.438 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.834 8.774 -1.846 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.421 8.291 -3.025 1.00 0.00 C ATOM 0 H TRP A 959 -3.379 6.017 1.986 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.582 4.221 -0.214 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.536 4.870 1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.217 6.575 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.596 3.540 -1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.157 4.234 -3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.552 8.330 -0.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.623 6.600 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.026 9.788 -1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.063 8.931 -3.612 1.00 0.00 H new ATOM 227 N GLN A 960 -2.898 7.374 -0.919 1.00 0.00 N ATOM 228 CA GLN A 960 -2.386 8.211 -1.998 1.00 0.00 C ATOM 229 C GLN A 960 -1.006 7.726 -2.431 1.00 0.00 C ATOM 230 O GLN A 960 -0.676 7.718 -3.620 1.00 0.00 O ATOM 231 CB GLN A 960 -2.303 9.667 -1.537 1.00 0.00 C ATOM 232 CG GLN A 960 -3.716 10.226 -1.351 1.00 0.00 C ATOM 233 CD GLN A 960 -4.404 10.368 -2.705 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.010 11.204 -3.517 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.406 9.588 -3.003 1.00 0.00 N ATOM 0 H GLN A 960 -3.037 7.851 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.067 8.144 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.749 9.732 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.759 10.261 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.296 9.565 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.670 11.195 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.731 8.895 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.864 9.671 -3.911 1.00 0.00 H new ATOM 244 N ASP A 961 -0.209 7.324 -1.453 1.00 0.00 N ATOM 245 CA ASP A 961 1.138 6.839 -1.724 1.00 0.00 C ATOM 246 C ASP A 961 1.106 5.542 -2.530 1.00 0.00 C ATOM 247 O ASP A 961 1.957 5.319 -3.392 1.00 0.00 O ATOM 248 CB ASP A 961 1.891 6.618 -0.410 1.00 0.00 C ATOM 249 CG ASP A 961 2.205 7.965 0.232 1.00 0.00 C ATOM 250 OD1 ASP A 961 1.993 8.972 -0.420 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.652 7.969 1.367 1.00 0.00 O ATOM 0 H ASP A 961 -0.469 7.323 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 961 1.656 7.594 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.290 6.012 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.814 6.068 -0.596 1.00 0.00 H new ATOM 256 N ILE A 962 0.125 4.684 -2.246 1.00 0.00 N ATOM 257 CA ILE A 962 0.026 3.422 -2.964 1.00 0.00 C ATOM 258 C ILE A 962 -0.371 3.709 -4.413 1.00 0.00 C ATOM 259 O ILE A 962 0.124 3.075 -5.351 1.00 0.00 O ATOM 260 CB ILE A 962 -0.984 2.474 -2.252 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.478 1.026 -2.324 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.368 2.540 -2.913 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.490 0.089 -1.660 1.00 0.00 C ATOM 0 H ILE A 962 -0.595 4.838 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 962 0.989 2.911 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.069 2.797 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.327 0.735 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.488 0.944 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.051 1.868 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.750 3.559 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.287 2.240 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -1.126 -0.937 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.619 0.374 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.447 0.162 -2.177 1.00 0.00 H new ATOM 275 N ILE A 963 -1.261 4.684 -4.584 1.00 0.00 N ATOM 276 CA ILE A 963 -1.709 5.058 -5.917 1.00 0.00 C ATOM 277 C ILE A 963 -0.528 5.540 -6.742 1.00 0.00 C ATOM 278 O ILE A 963 -0.376 5.164 -7.904 1.00 0.00 O ATOM 279 CB ILE A 963 -2.768 6.165 -5.840 1.00 0.00 C ATOM 280 CG1 ILE A 963 -4.046 5.582 -5.237 1.00 0.00 C ATOM 281 CG2 ILE A 963 -3.059 6.718 -7.253 1.00 0.00 C ATOM 282 CD1 ILE A 963 -5.047 6.700 -4.925 1.00 0.00 C ATOM 0 H ILE A 963 -1.680 5.221 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 963 -2.151 4.182 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.402 6.980 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.491 4.870 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.808 5.033 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.812 7.503 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -2.143 7.128 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.427 5.914 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.952 6.269 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.604 7.397 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.298 7.231 -5.844 1.00 0.00 H new ATOM 294 N ARG A 964 0.319 6.359 -6.136 1.00 0.00 N ATOM 295 CA ARG A 964 1.488 6.859 -6.840 1.00 0.00 C ATOM 296 C ARG A 964 2.395 5.687 -7.201 1.00 0.00 C ATOM 297 O ARG A 964 2.994 5.655 -8.276 1.00 0.00 O ATOM 298 CB ARG A 964 2.258 7.865 -5.971 1.00 0.00 C ATOM 299 CG ARG A 964 3.360 8.558 -6.805 1.00 0.00 C ATOM 300 CD ARG A 964 2.777 9.766 -7.546 1.00 0.00 C ATOM 301 NE ARG A 964 3.793 10.389 -8.386 1.00 0.00 N ATOM 302 CZ ARG A 964 3.464 11.320 -9.276 1.00 0.00 C ATOM 303 NH1 ARG A 964 2.216 11.682 -9.405 1.00 0.00 N ATOM 304 NH2 ARG A 964 4.385 11.871 -10.019 1.00 0.00 N ATOM 0 H ARG A 964 0.221 6.686 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 964 1.163 7.369 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.571 8.611 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.705 7.353 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.173 8.879 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.784 7.853 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 964 1.933 9.451 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 964 2.396 10.492 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 964 4.768 10.107 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 964 1.497 11.251 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 964 1.960 12.396 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 964 5.359 11.587 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 964 4.130 12.585 -10.701 1.00 0.00 H new ATOM 318 N ASP A 965 2.498 4.727 -6.283 1.00 0.00 N ATOM 319 CA ASP A 965 3.343 3.555 -6.501 1.00 0.00 C ATOM 320 C ASP A 965 2.932 2.782 -7.754 1.00 0.00 C ATOM 321 O ASP A 965 3.789 2.380 -8.542 1.00 0.00 O ATOM 322 CB ASP A 965 3.271 2.627 -5.288 1.00 0.00 C ATOM 323 CG ASP A 965 4.330 1.537 -5.410 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.288 1.751 -6.135 1.00 0.00 O ATOM 325 OD2 ASP A 965 4.165 0.505 -4.785 1.00 0.00 O ATOM 0 H ASP A 965 2.010 4.737 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 965 4.364 3.910 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.426 3.197 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.280 2.178 -5.220 1.00 0.00 H new ATOM 330 N TRP A 966 1.631 2.562 -7.942 1.00 0.00 N ATOM 331 CA TRP A 966 1.174 1.819 -9.121 1.00 0.00 C ATOM 332 C TRP A 966 1.215 2.700 -10.369 1.00 0.00 C ATOM 333 O TRP A 966 0.933 2.243 -11.476 1.00 0.00 O ATOM 334 CB TRP A 966 -0.249 1.303 -8.923 1.00 0.00 C ATOM 335 CG TRP A 966 -0.382 0.638 -7.597 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.183 1.071 -6.603 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.276 -0.568 -7.099 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.068 0.214 -5.530 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.176 -0.811 -5.782 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.207 -1.462 -7.657 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.278 -1.902 -5.042 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.671 -2.561 -6.914 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.208 -2.779 -5.609 1.00 0.00 C ATOM 0 H TRP A 966 0.891 2.876 -7.314 1.00 0.00 H new ATOM 0 HA TRP A 966 1.848 0.973 -9.254 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.955 2.130 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.501 0.599 -9.716 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.813 1.948 -6.641 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.580 0.323 -4.655 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.568 -1.303 -8.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.086 -2.068 -4.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.388 -3.241 -7.351 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.569 -3.624 -5.042 1.00 0.00 H new ATOM 354 N ARG A 967 1.576 3.961 -10.178 1.00 0.00 N ATOM 355 CA ARG A 967 1.667 4.908 -11.286 1.00 0.00 C ATOM 356 C ARG A 967 0.351 5.017 -12.061 1.00 0.00 C ATOM 357 O ARG A 967 0.323 5.540 -13.175 1.00 0.00 O ATOM 358 CB ARG A 967 2.796 4.498 -12.232 1.00 0.00 C ATOM 359 CG ARG A 967 4.138 4.685 -11.521 1.00 0.00 C ATOM 360 CD ARG A 967 5.282 4.295 -12.460 1.00 0.00 C ATOM 361 NE ARG A 967 6.563 4.449 -11.777 1.00 0.00 N ATOM 362 CZ ARG A 967 7.162 5.635 -11.702 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.606 6.681 -12.248 1.00 0.00 N ATOM 364 NH2 ARG A 967 8.306 5.752 -11.083 1.00 0.00 N ATOM 0 H ARG A 967 1.811 4.354 -9.267 1.00 0.00 H new ATOM 0 HA ARG A 967 1.880 5.889 -10.861 1.00 0.00 H new ATOM 0 HB2 ARG A 967 2.673 3.458 -12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.764 5.101 -13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.252 5.722 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 967 4.171 4.073 -10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 967 5.158 3.263 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.259 4.919 -13.353 1.00 0.00 H new ATOM 0 HE ARG A 967 7.006 3.635 -11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.713 6.590 -12.732 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.064 7.590 -12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 967 8.741 4.934 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 967 8.764 6.661 -11.026 1.00 0.00 H new ATOM 378 N LYS A 968 -0.747 4.556 -11.452 1.00 0.00 N ATOM 379 CA LYS A 968 -2.074 4.648 -12.079 1.00 0.00 C ATOM 380 C LYS A 968 -3.069 5.199 -11.062 1.00 0.00 C ATOM 381 O LYS A 968 -2.721 6.091 -10.290 1.00 0.00 O ATOM 382 CB LYS A 968 -2.542 3.286 -12.618 1.00 0.00 C ATOM 383 CG LYS A 968 -2.602 2.241 -11.503 1.00 0.00 C ATOM 384 CD LYS A 968 -3.277 0.981 -12.055 1.00 0.00 C ATOM 385 CE LYS A 968 -3.371 -0.090 -10.966 1.00 0.00 C ATOM 386 NZ LYS A 968 -4.191 0.424 -9.831 1.00 0.00 N ATOM 0 H LYS A 968 -0.746 4.118 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.012 5.323 -12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.526 3.391 -13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.862 2.948 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.598 2.008 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -3.161 2.628 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -4.274 1.225 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -2.710 0.598 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -3.820 -0.997 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -2.374 -0.357 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -4.525 -0.375 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -3.612 1.057 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -5.009 0.948 -10.203 1.00 0.00 H new ATOM 400 N GLU A 969 -4.305 4.695 -11.056 1.00 0.00 N ATOM 401 CA GLU A 969 -5.306 5.189 -10.108 1.00 0.00 C ATOM 402 C GLU A 969 -6.228 4.070 -9.625 1.00 0.00 C ATOM 403 O GLU A 969 -6.794 3.321 -10.422 1.00 0.00 O ATOM 404 CB GLU A 969 -6.140 6.294 -10.771 1.00 0.00 C ATOM 405 CG GLU A 969 -6.429 5.924 -12.229 1.00 0.00 C ATOM 406 CD GLU A 969 -5.213 6.222 -13.100 1.00 0.00 C ATOM 407 OE1 GLU A 969 -4.802 7.370 -13.133 1.00 0.00 O ATOM 408 OE2 GLU A 969 -4.710 5.300 -13.718 1.00 0.00 O ATOM 0 H GLU A 969 -4.632 3.960 -11.683 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.779 5.587 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -7.076 6.431 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -5.605 7.242 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -6.685 4.867 -12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -7.290 6.486 -12.590 1.00 0.00 H new ATOM 415 N MET A 970 -6.394 3.991 -8.304 1.00 0.00 N ATOM 416 CA MET A 970 -7.271 2.994 -7.686 1.00 0.00 C ATOM 417 C MET A 970 -8.015 3.639 -6.519 1.00 0.00 C ATOM 418 O MET A 970 -7.490 4.539 -5.862 1.00 0.00 O ATOM 419 CB MET A 970 -6.472 1.775 -7.197 1.00 0.00 C ATOM 420 CG MET A 970 -5.155 2.222 -6.555 1.00 0.00 C ATOM 421 SD MET A 970 -4.160 0.761 -6.147 1.00 0.00 S ATOM 422 CE MET A 970 -4.770 0.480 -4.464 1.00 0.00 C ATOM 0 H MET A 970 -5.930 4.609 -7.638 1.00 0.00 H new ATOM 0 HA MET A 970 -7.984 2.644 -8.432 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.063 1.211 -6.475 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.268 1.107 -8.034 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.606 2.871 -7.238 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.355 2.803 -5.655 1.00 0.00 H new ATOM 0 HE1 MET A 970 -4.110 -0.218 -3.949 1.00 0.00 H new ATOM 0 HE2 MET A 970 -4.792 1.426 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 970 -5.776 0.063 -4.507 1.00 0.00 H new ATOM 432 N THR A 971 -9.243 3.196 -6.277 1.00 0.00 N ATOM 433 CA THR A 971 -10.054 3.764 -5.203 1.00 0.00 C ATOM 434 C THR A 971 -9.665 3.205 -3.840 1.00 0.00 C ATOM 435 O THR A 971 -8.925 2.227 -3.738 1.00 0.00 O ATOM 436 CB THR A 971 -11.534 3.475 -5.459 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.752 2.072 -5.443 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.938 4.044 -6.816 1.00 0.00 C ATOM 0 H THR A 971 -9.698 2.451 -6.805 1.00 0.00 H new ATOM 0 HA THR A 971 -9.875 4.839 -5.194 1.00 0.00 H new ATOM 0 HB THR A 971 -12.136 3.942 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.570 1.874 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.993 3.838 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.773 5.121 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.338 3.580 -7.598 1.00 0.00 H new ATOM 446 N VAL A 972 -10.187 3.837 -2.794 1.00 0.00 N ATOM 447 CA VAL A 972 -9.919 3.411 -1.428 1.00 0.00 C ATOM 448 C VAL A 972 -10.454 1.997 -1.205 1.00 0.00 C ATOM 449 O VAL A 972 -9.785 1.157 -0.603 1.00 0.00 O ATOM 450 CB VAL A 972 -10.582 4.393 -0.442 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.683 3.760 0.957 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.743 5.674 -0.364 1.00 0.00 C ATOM 0 H VAL A 972 -10.800 4.649 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.842 3.406 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.586 4.628 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.153 4.465 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.283 2.852 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.684 3.514 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.208 6.372 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.739 5.431 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.685 6.132 -1.352 1.00 0.00 H new ATOM 462 N GLN A 973 -11.667 1.746 -1.685 1.00 0.00 N ATOM 463 CA GLN A 973 -12.282 0.436 -1.521 1.00 0.00 C ATOM 464 C GLN A 973 -11.362 -0.657 -2.057 1.00 0.00 C ATOM 465 O GLN A 973 -11.234 -1.723 -1.453 1.00 0.00 O ATOM 466 CB GLN A 973 -13.626 0.395 -2.261 1.00 0.00 C ATOM 467 CG GLN A 973 -14.243 -1.004 -2.146 1.00 0.00 C ATOM 468 CD GLN A 973 -15.643 -1.005 -2.754 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.616 -1.334 -2.074 1.00 0.00 O ATOM 470 NE2 GLN A 973 -15.802 -0.651 -4.000 1.00 0.00 N ATOM 0 H GLN A 973 -12.239 2.426 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.450 0.260 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.305 1.137 -1.841 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.481 0.653 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.614 -1.732 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.291 -1.305 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.994 -0.379 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -16.734 -0.646 -4.414 1.00 0.00 H new ATOM 479 N GLN A 974 -10.722 -0.387 -3.189 1.00 0.00 N ATOM 480 CA GLN A 974 -9.816 -1.356 -3.783 1.00 0.00 C ATOM 481 C GLN A 974 -8.668 -1.647 -2.818 1.00 0.00 C ATOM 482 O GLN A 974 -8.286 -2.802 -2.626 1.00 0.00 O ATOM 483 CB GLN A 974 -9.274 -0.800 -5.111 1.00 0.00 C ATOM 484 CG GLN A 974 -10.252 -1.087 -6.260 1.00 0.00 C ATOM 485 CD GLN A 974 -11.693 -0.761 -5.867 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.204 -1.267 -4.868 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.390 0.054 -6.611 1.00 0.00 N ATOM 0 H GLN A 974 -10.814 0.486 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.349 -2.286 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.114 0.275 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.305 -1.249 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.971 -0.499 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.181 -2.136 -6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.969 0.475 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.356 0.270 -6.364 1.00 0.00 H new ATOM 496 N PHE A 975 -8.140 -0.599 -2.200 1.00 0.00 N ATOM 497 CA PHE A 975 -7.055 -0.764 -1.241 1.00 0.00 C ATOM 498 C PHE A 975 -7.507 -1.621 -0.062 1.00 0.00 C ATOM 499 O PHE A 975 -6.792 -2.521 0.375 1.00 0.00 O ATOM 500 CB PHE A 975 -6.571 0.607 -0.751 1.00 0.00 C ATOM 501 CG PHE A 975 -5.632 0.435 0.425 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.348 -0.090 0.228 1.00 0.00 C ATOM 503 CD2 PHE A 975 -6.046 0.799 1.710 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.482 -0.246 1.317 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.181 0.645 2.799 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.899 0.122 2.603 1.00 0.00 C ATOM 0 H PHE A 975 -8.441 0.365 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.227 -1.272 -1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.062 1.132 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.424 1.220 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.027 -0.374 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -7.037 1.200 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.492 -0.650 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.503 0.930 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.230 0.002 3.443 1.00 0.00 H new ATOM 516 N LEU A 976 -8.694 -1.342 0.457 1.00 0.00 N ATOM 517 CA LEU A 976 -9.204 -2.108 1.583 1.00 0.00 C ATOM 518 C LEU A 976 -9.379 -3.566 1.173 1.00 0.00 C ATOM 519 O LEU A 976 -9.142 -4.478 1.957 1.00 0.00 O ATOM 520 CB LEU A 976 -10.523 -1.516 2.081 1.00 0.00 C ATOM 521 CG LEU A 976 -10.307 -0.076 2.578 1.00 0.00 C ATOM 522 CD1 LEU A 976 -11.643 0.483 3.054 1.00 0.00 C ATOM 523 CD2 LEU A 976 -9.307 -0.043 3.749 1.00 0.00 C ATOM 0 H LEU A 976 -9.313 -0.603 0.123 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.488 -2.060 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -11.260 -1.524 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.924 -2.130 2.887 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.906 0.522 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -11.504 1.504 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -12.354 0.480 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -12.027 -0.135 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -9.171 0.986 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -9.692 -0.644 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -8.349 -0.448 3.421 1.00 0.00 H new ATOM 535 N ASP A 977 -9.769 -3.789 -0.066 1.00 0.00 N ATOM 536 CA ASP A 977 -9.911 -5.152 -0.541 1.00 0.00 C ATOM 537 C ASP A 977 -8.526 -5.797 -0.612 1.00 0.00 C ATOM 538 O ASP A 977 -8.362 -6.990 -0.345 1.00 0.00 O ATOM 539 CB ASP A 977 -10.573 -5.175 -1.919 1.00 0.00 C ATOM 540 CG ASP A 977 -10.994 -6.597 -2.271 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.248 -7.362 -1.355 1.00 0.00 O ATOM 542 OD2 ASP A 977 -11.052 -6.903 -3.451 1.00 0.00 O ATOM 0 H ASP A 977 -9.989 -3.064 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.545 -5.711 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.442 -4.517 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.881 -4.795 -2.671 1.00 0.00 H new ATOM 547 N LEU A 978 -7.530 -4.988 -0.981 1.00 0.00 N ATOM 548 CA LEU A 978 -6.153 -5.462 -1.102 1.00 0.00 C ATOM 549 C LEU A 978 -5.558 -5.847 0.252 1.00 0.00 C ATOM 550 O LEU A 978 -4.920 -6.893 0.375 1.00 0.00 O ATOM 551 CB LEU A 978 -5.296 -4.373 -1.761 1.00 0.00 C ATOM 552 CG LEU A 978 -3.819 -4.790 -1.811 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.667 -6.134 -2.531 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.031 -3.713 -2.564 1.00 0.00 C ATOM 0 H LEU A 978 -7.654 -4.000 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.159 -6.359 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.658 -4.182 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.396 -3.441 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.438 -4.896 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.614 -6.415 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.233 -6.898 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -4.045 -6.046 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.979 -3.995 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.423 -3.616 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.129 -2.760 -2.044 1.00 0.00 H new ATOM 566 N LYS A 979 -5.754 -5.007 1.268 1.00 0.00 N ATOM 567 CA LYS A 979 -5.211 -5.304 2.582 1.00 0.00 C ATOM 568 C LYS A 979 -5.917 -6.530 3.150 1.00 0.00 C ATOM 569 O LYS A 979 -5.289 -7.424 3.692 1.00 0.00 O ATOM 570 CB LYS A 979 -5.360 -4.075 3.512 1.00 0.00 C ATOM 571 CG LYS A 979 -6.765 -4.024 4.120 1.00 0.00 C ATOM 572 CD LYS A 979 -6.974 -2.722 4.895 1.00 0.00 C ATOM 573 CE LYS A 979 -8.240 -2.850 5.745 1.00 0.00 C ATOM 574 NZ LYS A 979 -8.494 -1.573 6.468 1.00 0.00 N ATOM 0 H LYS A 979 -6.275 -4.133 1.204 1.00 0.00 H new ATOM 0 HA LYS A 979 -4.147 -5.525 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.616 -4.122 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -5.168 -3.161 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.511 -4.106 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.910 -4.876 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -6.112 -2.519 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.066 -1.883 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -9.092 -3.095 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -8.129 -3.667 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -9.518 -1.394 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -8.116 -1.640 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -8.026 -0.791 5.967 1.00 0.00 H new ATOM 588 N GLU A 980 -7.232 -6.571 3.016 1.00 0.00 N ATOM 589 CA GLU A 980 -7.985 -7.703 3.531 1.00 0.00 C ATOM 590 C GLU A 980 -7.458 -9.007 2.933 1.00 0.00 C ATOM 591 O GLU A 980 -7.166 -9.960 3.659 1.00 0.00 O ATOM 592 CB GLU A 980 -9.469 -7.539 3.191 1.00 0.00 C ATOM 593 CG GLU A 980 -10.267 -8.712 3.767 1.00 0.00 C ATOM 594 CD GLU A 980 -11.756 -8.504 3.513 1.00 0.00 C ATOM 595 OE1 GLU A 980 -12.089 -7.600 2.767 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.541 -9.260 4.062 1.00 0.00 O ATOM 0 H GLU A 980 -7.792 -5.848 2.564 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.866 -7.739 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.843 -6.599 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.601 -7.494 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.939 -9.645 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -10.081 -8.799 4.837 1.00 0.00 H new ATOM 603 N ARG A 981 -7.340 -9.043 1.611 1.00 0.00 N ATOM 604 CA ARG A 981 -6.853 -10.241 0.939 1.00 0.00 C ATOM 605 C ARG A 981 -5.418 -10.576 1.343 1.00 0.00 C ATOM 606 O ARG A 981 -5.101 -11.725 1.646 1.00 0.00 O ATOM 607 CB ARG A 981 -6.913 -10.043 -0.579 1.00 0.00 C ATOM 608 CG ARG A 981 -8.370 -10.059 -1.045 1.00 0.00 C ATOM 609 CD ARG A 981 -8.424 -9.814 -2.554 1.00 0.00 C ATOM 610 NE ARG A 981 -9.795 -9.920 -3.035 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.111 -9.617 -4.289 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.187 -9.192 -5.108 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.343 -9.741 -4.701 1.00 0.00 N ATOM 0 H ARG A 981 -7.571 -8.267 0.990 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.494 -11.070 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.445 -9.097 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.352 -10.832 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.830 -11.018 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.940 -9.292 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.027 -8.825 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -7.794 -10.538 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.526 -10.233 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.225 -9.093 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.427 -8.959 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.064 -10.071 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.585 -9.508 -5.664 1.00 0.00 H new ATOM 627 N ALA A 982 -4.544 -9.575 1.334 1.00 0.00 N ATOM 628 CA ALA A 982 -3.145 -9.803 1.684 1.00 0.00 C ATOM 629 C ALA A 982 -2.991 -10.256 3.125 1.00 0.00 C ATOM 630 O ALA A 982 -2.298 -11.234 3.410 1.00 0.00 O ATOM 631 CB ALA A 982 -2.338 -8.523 1.480 1.00 0.00 C ATOM 0 H ALA A 982 -4.774 -8.611 1.092 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.773 -10.592 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.296 -8.704 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.400 -8.216 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.741 -7.734 2.114 1.00 0.00 H new ATOM 637 N LEU A 983 -3.627 -9.533 4.032 1.00 0.00 N ATOM 638 CA LEU A 983 -3.541 -9.865 5.438 1.00 0.00 C ATOM 639 C LEU A 983 -4.177 -11.229 5.701 1.00 0.00 C ATOM 640 O LEU A 983 -3.822 -11.916 6.658 1.00 0.00 O ATOM 641 CB LEU A 983 -4.216 -8.776 6.294 1.00 0.00 C ATOM 642 CG LEU A 983 -3.231 -7.626 6.591 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.527 -7.142 5.315 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.995 -6.459 7.238 1.00 0.00 C ATOM 0 H LEU A 983 -4.204 -8.719 3.819 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.489 -9.915 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -5.090 -8.387 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.570 -9.209 7.230 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.466 -7.998 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.841 -6.332 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.969 -7.967 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -3.270 -6.783 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -3.303 -5.644 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.770 -6.109 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -4.454 -6.796 8.167 1.00 0.00 H new ATOM 656 N SER A 984 -5.123 -11.614 4.847 1.00 0.00 N ATOM 657 CA SER A 984 -5.797 -12.897 5.001 1.00 0.00 C ATOM 658 C SER A 984 -4.910 -14.027 4.487 1.00 0.00 C ATOM 659 O SER A 984 -5.278 -15.201 4.560 1.00 0.00 O ATOM 660 CB SER A 984 -7.120 -12.892 4.236 1.00 0.00 C ATOM 661 OG SER A 984 -6.860 -12.719 2.851 1.00 0.00 O ATOM 0 H SER A 984 -5.436 -11.061 4.049 1.00 0.00 H new ATOM 0 HA SER A 984 -5.997 -13.058 6.060 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.654 -13.827 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.761 -12.089 4.601 1.00 0.00 H new ATOM 0 HG SER A 984 -5.925 -12.456 2.724 1.00 0.00 H new ATOM 667 N GLY A 985 -3.726 -13.667 3.988 1.00 0.00 N ATOM 668 CA GLY A 985 -2.771 -14.657 3.484 1.00 0.00 C ATOM 669 C GLY A 985 -2.937 -14.906 1.987 1.00 0.00 C ATOM 670 O GLY A 985 -2.613 -15.990 1.499 1.00 0.00 O ATOM 0 H GLY A 985 -3.406 -12.701 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.756 -14.315 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.903 -15.595 4.024 1.00 0.00 H new ATOM 674 N ALA A 986 -3.431 -13.911 1.261 1.00 0.00 N ATOM 675 CA ALA A 986 -3.618 -14.064 -0.178 1.00 0.00 C ATOM 676 C ALA A 986 -2.284 -14.207 -0.885 1.00 0.00 C ATOM 677 O ALA A 986 -1.303 -13.553 -0.531 1.00 0.00 O ATOM 678 CB ALA A 986 -4.342 -12.857 -0.763 1.00 0.00 C ATOM 0 H ALA A 986 -3.706 -13.003 1.636 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.215 -14.963 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.470 -12.994 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.319 -12.755 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.755 -11.957 -0.580 1.00 0.00 H new ATOM 684 N SER A 987 -2.255 -15.063 -1.900 1.00 0.00 N ATOM 685 CA SER A 987 -1.038 -15.284 -2.670 1.00 0.00 C ATOM 686 C SER A 987 -1.061 -14.442 -3.939 1.00 0.00 C ATOM 687 O SER A 987 -0.086 -14.407 -4.689 1.00 0.00 O ATOM 688 CB SER A 987 -0.906 -16.765 -3.027 1.00 0.00 C ATOM 689 OG SER A 987 -0.909 -17.532 -1.831 1.00 0.00 O ATOM 0 H SER A 987 -3.057 -15.613 -2.208 1.00 0.00 H new ATOM 0 HA SER A 987 -0.180 -14.988 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.729 -17.071 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 987 0.016 -16.938 -3.582 1.00 0.00 H new ATOM 0 HG SER A 987 -0.826 -18.483 -2.052 1.00 0.00 H new ATOM 695 N ASP A 988 -2.179 -13.760 -4.167 1.00 0.00 N ATOM 696 CA ASP A 988 -2.320 -12.909 -5.344 1.00 0.00 C ATOM 697 C ASP A 988 -1.039 -12.099 -5.563 1.00 0.00 C ATOM 698 O ASP A 988 -0.345 -11.771 -4.602 1.00 0.00 O ATOM 699 CB ASP A 988 -3.500 -11.952 -5.152 1.00 0.00 C ATOM 700 CG ASP A 988 -4.817 -12.707 -5.275 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.772 -13.909 -5.476 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.852 -12.072 -5.169 1.00 0.00 O ATOM 0 H ASP A 988 -2.996 -13.779 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.500 -13.539 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.436 -11.476 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.458 -11.157 -5.897 1.00 0.00 H new ATOM 707 N PRO A 989 -0.708 -11.760 -6.787 1.00 0.00 N ATOM 708 CA PRO A 989 0.522 -10.964 -7.072 1.00 0.00 C ATOM 709 C PRO A 989 0.456 -9.603 -6.386 1.00 0.00 C ATOM 710 O PRO A 989 1.471 -9.053 -5.960 1.00 0.00 O ATOM 711 CB PRO A 989 0.530 -10.832 -8.607 1.00 0.00 C ATOM 712 CG PRO A 989 -0.886 -11.079 -9.026 1.00 0.00 C ATOM 713 CD PRO A 989 -1.449 -12.078 -8.019 1.00 0.00 C ATOM 0 HA PRO A 989 1.432 -11.433 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.866 -9.842 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.208 -11.555 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.462 -10.154 -9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.930 -11.478 -10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.524 -11.955 -7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.283 -13.108 -8.336 1.00 0.00 H new ATOM 721 N ASP A 990 -0.756 -9.077 -6.276 1.00 0.00 N ATOM 722 CA ASP A 990 -0.970 -7.791 -5.629 1.00 0.00 C ATOM 723 C ASP A 990 -0.625 -7.864 -4.141 1.00 0.00 C ATOM 724 O ASP A 990 -0.024 -6.945 -3.592 1.00 0.00 O ATOM 725 CB ASP A 990 -2.431 -7.365 -5.793 1.00 0.00 C ATOM 726 CG ASP A 990 -2.707 -6.980 -7.242 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.760 -6.918 -8.009 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.860 -6.751 -7.563 1.00 0.00 O ATOM 0 H ASP A 990 -1.605 -9.521 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.317 -7.058 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.091 -8.179 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.647 -6.522 -5.137 1.00 0.00 H new ATOM 733 N SER A 991 -1.031 -8.957 -3.493 1.00 0.00 N ATOM 734 CA SER A 991 -0.778 -9.134 -2.062 1.00 0.00 C ATOM 735 C SER A 991 0.714 -9.208 -1.742 1.00 0.00 C ATOM 736 O SER A 991 1.197 -8.497 -0.860 1.00 0.00 O ATOM 737 CB SER A 991 -1.458 -10.413 -1.572 1.00 0.00 C ATOM 738 OG SER A 991 -0.880 -10.804 -0.334 1.00 0.00 O ATOM 0 H SER A 991 -1.533 -9.728 -3.933 1.00 0.00 H new ATOM 0 HA SER A 991 -1.188 -8.262 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.528 -10.247 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.340 -11.207 -2.309 1.00 0.00 H new ATOM 0 HG SER A 991 -0.946 -11.777 -0.235 1.00 0.00 H new ATOM 744 N GLN A 992 1.445 -10.069 -2.445 1.00 0.00 N ATOM 745 CA GLN A 992 2.872 -10.200 -2.185 1.00 0.00 C ATOM 746 C GLN A 992 3.600 -8.928 -2.604 1.00 0.00 C ATOM 747 O GLN A 992 4.523 -8.479 -1.922 1.00 0.00 O ATOM 748 CB GLN A 992 3.451 -11.438 -2.891 1.00 0.00 C ATOM 749 CG GLN A 992 3.262 -11.338 -4.418 1.00 0.00 C ATOM 750 CD GLN A 992 4.487 -10.705 -5.077 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.663 -10.813 -6.291 1.00 0.00 O ATOM 752 NE2 GLN A 992 5.349 -10.053 -4.347 1.00 0.00 N ATOM 0 H GLN A 992 1.082 -10.673 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 992 3.020 -10.340 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.511 -11.533 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 992 2.961 -12.337 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 992 3.093 -12.331 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.376 -10.744 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 992 5.202 -9.964 -3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 992 6.170 -9.632 -4.782 1.00 0.00 H new ATOM 761 N ARG A 993 3.159 -8.326 -3.704 1.00 0.00 N ATOM 762 CA ARG A 993 3.761 -7.078 -4.162 1.00 0.00 C ATOM 763 C ARG A 993 3.528 -5.998 -3.114 1.00 0.00 C ATOM 764 O ARG A 993 4.405 -5.186 -2.832 1.00 0.00 O ATOM 765 CB ARG A 993 3.138 -6.641 -5.492 1.00 0.00 C ATOM 766 CG ARG A 993 3.656 -7.521 -6.644 1.00 0.00 C ATOM 767 CD ARG A 993 4.983 -6.971 -7.187 1.00 0.00 C ATOM 768 NE ARG A 993 5.378 -7.711 -8.383 1.00 0.00 N ATOM 769 CZ ARG A 993 4.927 -7.371 -9.590 1.00 0.00 C ATOM 770 NH1 ARG A 993 4.141 -6.337 -9.727 1.00 0.00 N ATOM 771 NH2 ARG A 993 5.282 -8.063 -10.636 1.00 0.00 N ATOM 0 H ARG A 993 2.399 -8.675 -4.287 1.00 0.00 H new ATOM 0 HA ARG A 993 4.830 -7.231 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.052 -6.712 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.379 -5.596 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 993 3.796 -8.544 -6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 993 2.916 -7.556 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 993 4.878 -5.912 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 993 5.759 -7.053 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 993 6.012 -8.505 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 993 3.872 -5.789 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 993 3.796 -6.077 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 993 5.905 -8.864 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 993 4.937 -7.803 -11.560 1.00 0.00 H new ATOM 785 N TYR A 994 2.332 -6.013 -2.533 1.00 0.00 N ATOM 786 CA TYR A 994 1.973 -5.049 -1.504 1.00 0.00 C ATOM 787 C TYR A 994 2.902 -5.204 -0.309 1.00 0.00 C ATOM 788 O TYR A 994 3.407 -4.221 0.232 1.00 0.00 O ATOM 789 CB TYR A 994 0.519 -5.262 -1.079 1.00 0.00 C ATOM 790 CG TYR A 994 0.165 -4.326 0.057 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.219 -2.942 -0.136 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.231 -4.842 1.297 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.119 -2.073 0.908 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.569 -3.972 2.342 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.514 -2.588 2.147 1.00 0.00 C ATOM 796 OH TYR A 994 -0.850 -1.730 3.174 1.00 0.00 O ATOM 0 H TYR A 994 1.597 -6.683 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 994 2.077 -4.039 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.145 -5.086 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.371 -6.296 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.522 -2.543 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.276 -5.910 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.075 -1.005 0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.872 -4.370 3.299 1.00 0.00 H new ATOM 0 HH TYR A 994 -0.589 -0.816 2.935 1.00 0.00 H new ATOM 806 N ASN A 995 3.142 -6.450 0.082 1.00 0.00 N ATOM 807 CA ASN A 995 4.033 -6.720 1.197 1.00 0.00 C ATOM 808 C ASN A 995 5.422 -6.190 0.860 1.00 0.00 C ATOM 809 O ASN A 995 6.092 -5.587 1.698 1.00 0.00 O ATOM 810 CB ASN A 995 4.096 -8.230 1.457 1.00 0.00 C ATOM 811 CG ASN A 995 2.844 -8.685 2.201 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.733 -8.484 3.411 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.888 -9.285 1.545 1.00 0.00 N ATOM 0 H ASN A 995 2.736 -7.279 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 995 3.662 -6.226 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.182 -8.767 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.984 -8.470 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.046 -9.589 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 995 1.983 -9.450 0.543 1.00 0.00 H new ATOM 820 N ALA A 996 5.841 -6.406 -0.384 1.00 0.00 N ATOM 821 CA ALA A 996 7.144 -5.929 -0.824 1.00 0.00 C ATOM 822 C ALA A 996 7.184 -4.411 -0.792 1.00 0.00 C ATOM 823 O ALA A 996 8.133 -3.816 -0.307 1.00 0.00 O ATOM 824 CB ALA A 996 7.414 -6.383 -2.251 1.00 0.00 C ATOM 0 H ALA A 996 5.304 -6.902 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 996 7.899 -6.337 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.391 -6.020 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.399 -7.472 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.645 -5.982 -2.912 1.00 0.00 H new ATOM 830 N TRP A 997 6.143 -3.783 -1.308 1.00 0.00 N ATOM 831 CA TRP A 997 6.094 -2.335 -1.325 1.00 0.00 C ATOM 832 C TRP A 997 6.280 -1.817 0.091 1.00 0.00 C ATOM 833 O TRP A 997 7.019 -0.860 0.324 1.00 0.00 O ATOM 834 CB TRP A 997 4.758 -1.856 -1.902 1.00 0.00 C ATOM 835 CG TRP A 997 4.641 -0.371 -1.757 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.356 0.541 -2.455 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.764 0.387 -0.876 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.972 1.809 -2.058 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.993 1.766 -1.087 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.802 0.013 0.079 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.291 2.741 -0.376 1.00 0.00 C ATOM 842 CZ3 TRP A 997 2.091 0.990 0.796 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.336 2.351 0.568 1.00 0.00 C ATOM 0 H TRP A 997 5.331 -4.247 -1.715 1.00 0.00 H new ATOM 0 HA TRP A 997 6.893 -1.949 -1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.686 -2.134 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.933 -2.346 -1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.104 0.316 -3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.365 2.671 -2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.608 -1.033 0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.484 3.789 -0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.353 0.691 1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.787 3.099 1.121 1.00 0.00 H new ATOM 854 N LEU A 998 5.640 -2.489 1.041 1.00 0.00 N ATOM 855 CA LEU A 998 5.780 -2.111 2.436 1.00 0.00 C ATOM 856 C LEU A 998 7.234 -2.306 2.847 1.00 0.00 C ATOM 857 O LEU A 998 7.796 -1.501 3.585 1.00 0.00 O ATOM 858 CB LEU A 998 4.861 -2.957 3.324 1.00 0.00 C ATOM 859 CG LEU A 998 3.389 -2.570 3.087 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.480 -3.625 3.732 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.086 -1.187 3.703 1.00 0.00 C ATOM 0 H LEU A 998 5.028 -3.287 0.871 1.00 0.00 H new ATOM 0 HA LEU A 998 5.493 -1.067 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.006 -4.015 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.119 -2.809 4.373 1.00 0.00 H new ATOM 0 HG LEU A 998 3.205 -2.523 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.437 -3.356 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.679 -4.599 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.678 -3.670 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 998 2.042 -0.931 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.275 -1.217 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.727 -0.435 3.243 1.00 0.00 H new ATOM 873 N GLU A 999 7.839 -3.385 2.349 1.00 0.00 N ATOM 874 CA GLU A 999 9.234 -3.674 2.656 1.00 0.00 C ATOM 875 C GLU A 999 10.130 -2.556 2.117 1.00 0.00 C ATOM 876 O GLU A 999 11.043 -2.094 2.803 1.00 0.00 O ATOM 877 CB GLU A 999 9.642 -5.021 2.034 1.00 0.00 C ATOM 878 CG GLU A 999 11.070 -5.370 2.462 1.00 0.00 C ATOM 879 CD GLU A 999 11.483 -6.708 1.859 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.802 -7.163 0.954 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.471 -7.260 2.313 1.00 0.00 O ATOM 0 H GLU A 999 7.388 -4.065 1.738 1.00 0.00 H new ATOM 0 HA GLU A 999 9.353 -3.734 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.954 -5.804 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.580 -4.965 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.757 -4.588 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.131 -5.417 3.549 1.00 0.00 H new ATOM 888 N LEU A1000 9.850 -2.105 0.894 1.00 0.00 N ATOM 889 CA LEU A1000 10.641 -1.034 0.295 1.00 0.00 C ATOM 890 C LEU A1000 10.534 0.200 1.169 1.00 0.00 C ATOM 891 O LEU A1000 11.524 0.870 1.462 1.00 0.00 O ATOM 892 CB LEU A1000 10.115 -0.697 -1.107 1.00 0.00 C ATOM 893 CG LEU A1000 10.227 -1.913 -2.036 1.00 0.00 C ATOM 894 CD1 LEU A1000 9.677 -1.548 -3.419 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.690 -2.365 -2.162 1.00 0.00 C ATOM 0 H LEU A1000 9.094 -2.459 0.308 1.00 0.00 H new ATOM 0 HA LEU A1000 11.678 -1.360 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.075 -0.377 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.681 0.137 -1.522 1.00 0.00 H new ATOM 0 HG LEU A1000 9.647 -2.734 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.755 -2.410 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A1000 8.631 -1.254 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A1000 10.252 -0.720 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.748 -3.228 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.288 -1.551 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A1000 12.073 -2.636 -1.178 1.00 0.00 H new ATOM 907 N ARG A1001 9.316 0.475 1.602 1.00 0.00 N ATOM 908 CA ARG A1001 9.052 1.607 2.468 1.00 0.00 C ATOM 909 C ARG A1001 9.785 1.459 3.788 1.00 0.00 C ATOM 910 O ARG A1001 10.359 2.412 4.308 1.00 0.00 O ATOM 911 CB ARG A1001 7.552 1.690 2.721 1.00 0.00 C ATOM 912 CG ARG A1001 7.262 2.782 3.743 1.00 0.00 C ATOM 913 CD ARG A1001 5.758 3.040 3.798 1.00 0.00 C ATOM 914 NE ARG A1001 5.464 4.154 4.698 1.00 0.00 N ATOM 915 CZ ARG A1001 5.474 5.413 4.268 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.753 5.676 3.021 1.00 0.00 N ATOM 917 NH2 ARG A1001 5.198 6.386 5.095 1.00 0.00 N ATOM 0 H ARG A1001 8.490 -0.075 1.365 1.00 0.00 H new ATOM 0 HA ARG A1001 9.405 2.517 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A1001 7.028 1.902 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A1001 7.181 0.731 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.627 2.482 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.789 3.697 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.384 3.263 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.241 2.143 4.139 1.00 0.00 H new ATOM 0 HE ARG A1001 5.247 3.962 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.964 4.916 2.374 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.760 6.642 2.693 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.975 6.180 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A1001 5.205 7.352 4.767 1.00 0.00 H new ATOM 931 N ALA A1002 9.748 0.262 4.329 1.00 0.00 N ATOM 932 CA ALA A1002 10.405 0.000 5.589 1.00 0.00 C ATOM 933 C ALA A1002 11.871 0.366 5.464 1.00 0.00 C ATOM 934 O ALA A1002 12.494 0.830 6.419 1.00 0.00 O ATOM 935 CB ALA A1002 10.266 -1.478 5.962 1.00 0.00 C ATOM 0 H ALA A1002 9.272 -0.542 3.919 1.00 0.00 H new ATOM 0 HA ALA A1002 9.940 0.599 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.765 -1.662 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.210 -1.733 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.723 -2.093 5.187 1.00 0.00 H new