USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=6 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 105:sc= -3.29! USER MOD Set 1.2: A 974 GLN : amide:sc= -6.68! C(o=-10!,f=-8.6!) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= -0.642! K(o=-0.64!,f=-2) USER MOD Single : A 968 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 970 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 973 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.0084) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot 61:sc= 0.909 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -80:sc= -0.794 USER MOD Single : A 992 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 994 TYR OH : rot 62:sc= 0.103 USER MOD Single : A 995 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 952 -7.599 6.813 8.365 1.00 0.00 N ATOM 93 CA ARG A 952 -6.837 7.717 9.214 1.00 0.00 C ATOM 94 C ARG A 952 -5.954 8.614 8.360 1.00 0.00 C ATOM 95 O ARG A 952 -5.798 8.382 7.160 1.00 0.00 O ATOM 96 CB ARG A 952 -5.965 6.913 10.182 1.00 0.00 C ATOM 97 CG ARG A 952 -6.865 6.097 11.114 1.00 0.00 C ATOM 98 CD ARG A 952 -6.007 5.213 12.021 1.00 0.00 C ATOM 99 NE ARG A 952 -5.206 6.037 12.921 1.00 0.00 N ATOM 100 CZ ARG A 952 -5.709 6.491 14.065 1.00 0.00 C ATOM 101 NH1 ARG A 952 -6.948 6.228 14.379 1.00 0.00 N ATOM 102 NH2 ARG A 952 -4.968 7.203 14.868 1.00 0.00 N ATOM 0 HA ARG A 952 -7.532 8.335 9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -5.301 6.251 9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -5.333 7.584 10.763 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -7.479 6.765 11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.546 5.480 10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -6.646 4.546 12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -5.355 4.584 11.415 1.00 0.00 H new ATOM 0 HE ARG A 952 -4.245 6.268 12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -7.528 5.675 13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -7.337 6.575 15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -4.001 7.412 14.619 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -5.355 7.551 15.745 1.00 0.00 H new ATOM 116 N ASP A 953 -5.379 9.639 8.976 1.00 0.00 N ATOM 117 CA ASP A 953 -4.519 10.552 8.244 1.00 0.00 C ATOM 118 C ASP A 953 -3.321 9.805 7.679 1.00 0.00 C ATOM 119 O ASP A 953 -2.875 10.084 6.566 1.00 0.00 O ATOM 120 CB ASP A 953 -4.043 11.685 9.158 1.00 0.00 C ATOM 121 CG ASP A 953 -3.412 11.120 10.425 1.00 0.00 C ATOM 122 OD1 ASP A 953 -3.488 9.919 10.623 1.00 0.00 O ATOM 123 OD2 ASP A 953 -2.852 11.901 11.179 1.00 0.00 O ATOM 0 H ASP A 953 -5.492 9.855 9.966 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.091 10.981 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -3.319 12.306 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -4.884 12.327 9.419 1.00 0.00 H new ATOM 128 N ASP A 954 -2.814 8.845 8.447 1.00 0.00 N ATOM 129 CA ASP A 954 -1.680 8.051 7.999 1.00 0.00 C ATOM 130 C ASP A 954 -2.120 7.109 6.883 1.00 0.00 C ATOM 131 O ASP A 954 -1.396 6.896 5.912 1.00 0.00 O ATOM 132 CB ASP A 954 -1.107 7.231 9.158 1.00 0.00 C ATOM 133 CG ASP A 954 0.099 6.434 8.672 1.00 0.00 C ATOM 134 OD1 ASP A 954 0.344 6.436 7.477 1.00 0.00 O ATOM 135 OD2 ASP A 954 0.767 5.839 9.502 1.00 0.00 O ATOM 0 H ASP A 954 -3.167 8.601 9.372 1.00 0.00 H new ATOM 0 HA ASP A 954 -0.909 8.726 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -0.815 7.891 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -1.868 6.556 9.551 1.00 0.00 H new ATOM 140 N GLU A 955 -3.320 6.552 7.041 1.00 0.00 N ATOM 141 CA GLU A 955 -3.876 5.625 6.059 1.00 0.00 C ATOM 142 C GLU A 955 -4.158 6.332 4.741 1.00 0.00 C ATOM 143 O GLU A 955 -3.920 5.781 3.665 1.00 0.00 O ATOM 144 CB GLU A 955 -5.175 5.025 6.595 1.00 0.00 C ATOM 145 CG GLU A 955 -4.866 4.095 7.768 1.00 0.00 C ATOM 146 CD GLU A 955 -4.247 2.798 7.255 1.00 0.00 C ATOM 147 OE1 GLU A 955 -5.000 1.885 6.953 1.00 0.00 O ATOM 148 OE2 GLU A 955 -3.033 2.739 7.168 1.00 0.00 O ATOM 0 H GLU A 955 -3.926 6.728 7.842 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.145 4.836 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -5.849 5.819 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -5.685 4.473 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -4.182 4.585 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -5.780 3.878 8.321 1.00 0.00 H new ATOM 155 N TYR A 956 -4.677 7.548 4.832 1.00 0.00 N ATOM 156 CA TYR A 956 -4.999 8.317 3.640 1.00 0.00 C ATOM 157 C TYR A 956 -3.740 8.525 2.812 1.00 0.00 C ATOM 158 O TYR A 956 -3.754 8.381 1.588 1.00 0.00 O ATOM 159 CB TYR A 956 -5.598 9.668 4.035 1.00 0.00 C ATOM 160 CG TYR A 956 -5.901 10.468 2.791 1.00 0.00 C ATOM 161 CD1 TYR A 956 -7.143 10.335 2.163 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.935 11.336 2.258 1.00 0.00 C ATOM 163 CE1 TYR A 956 -7.426 11.069 1.005 1.00 0.00 C ATOM 164 CE2 TYR A 956 -5.218 12.073 1.102 1.00 0.00 C ATOM 165 CZ TYR A 956 -6.464 11.937 0.474 1.00 0.00 C ATOM 166 OH TYR A 956 -6.745 12.657 -0.670 1.00 0.00 O ATOM 0 H TYR A 956 -4.883 8.020 5.712 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.731 7.770 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.509 9.518 4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -4.902 10.215 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.885 9.665 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -3.974 11.435 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -8.386 10.966 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.478 12.745 0.695 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.972 13.212 -0.905 1.00 0.00 H new ATOM 176 N ASP A 957 -2.646 8.847 3.493 1.00 0.00 N ATOM 177 CA ASP A 957 -1.374 9.054 2.818 1.00 0.00 C ATOM 178 C ASP A 957 -0.926 7.757 2.151 1.00 0.00 C ATOM 179 O ASP A 957 -0.343 7.775 1.068 1.00 0.00 O ATOM 180 CB ASP A 957 -0.311 9.515 3.814 1.00 0.00 C ATOM 181 CG ASP A 957 0.951 9.939 3.070 1.00 0.00 C ATOM 182 OD1 ASP A 957 0.859 10.175 1.875 1.00 0.00 O ATOM 183 OD2 ASP A 957 1.992 10.013 3.701 1.00 0.00 O ATOM 0 H ASP A 957 -2.616 8.969 4.505 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.503 9.826 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.692 10.348 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 957 -0.079 8.709 4.510 1.00 0.00 H new ATOM 188 N GLU A 958 -1.207 6.632 2.806 1.00 0.00 N ATOM 189 CA GLU A 958 -0.835 5.332 2.262 1.00 0.00 C ATOM 190 C GLU A 958 -1.635 5.037 0.997 1.00 0.00 C ATOM 191 O GLU A 958 -1.121 4.438 0.055 1.00 0.00 O ATOM 192 CB GLU A 958 -1.069 4.225 3.294 1.00 0.00 C ATOM 193 CG GLU A 958 -0.015 4.328 4.400 1.00 0.00 C ATOM 194 CD GLU A 958 -0.278 3.271 5.468 1.00 0.00 C ATOM 195 OE1 GLU A 958 -1.250 2.548 5.331 1.00 0.00 O ATOM 196 OE2 GLU A 958 0.498 3.202 6.407 1.00 0.00 O ATOM 0 H GLU A 958 -1.687 6.596 3.706 1.00 0.00 H new ATOM 0 HA GLU A 958 0.226 5.360 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -2.068 4.315 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.014 3.248 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 958 0.981 4.192 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 958 -0.039 5.322 4.846 1.00 0.00 H new ATOM 203 N TRP A 959 -2.896 5.462 0.978 1.00 0.00 N ATOM 204 CA TRP A 959 -3.744 5.238 -0.186 1.00 0.00 C ATOM 205 C TRP A 959 -3.237 6.072 -1.368 1.00 0.00 C ATOM 206 O TRP A 959 -3.065 5.567 -2.473 1.00 0.00 O ATOM 207 CB TRP A 959 -5.196 5.591 0.169 1.00 0.00 C ATOM 208 CG TRP A 959 -6.055 5.604 -1.049 1.00 0.00 C ATOM 209 CD1 TRP A 959 -6.275 4.548 -1.868 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.834 6.703 -1.579 1.00 0.00 C ATOM 211 NE1 TRP A 959 -7.140 4.941 -2.875 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.513 6.262 -2.737 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.013 8.033 -1.167 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -8.344 7.115 -3.463 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.849 8.896 -1.896 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.514 8.437 -3.043 1.00 0.00 C ATOM 0 H TRP A 959 -3.348 5.958 1.747 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.707 4.189 -0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.585 4.868 0.885 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.229 6.567 0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.847 3.563 -1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -7.462 4.330 -3.626 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.506 8.395 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.853 6.756 -4.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -7.980 9.918 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.156 9.104 -3.600 1.00 0.00 H new ATOM 227 N GLN A 960 -2.964 7.347 -1.135 1.00 0.00 N ATOM 228 CA GLN A 960 -2.449 8.191 -2.212 1.00 0.00 C ATOM 229 C GLN A 960 -1.066 7.713 -2.641 1.00 0.00 C ATOM 230 O GLN A 960 -0.730 7.705 -3.826 1.00 0.00 O ATOM 231 CB GLN A 960 -2.360 9.648 -1.756 1.00 0.00 C ATOM 232 CG GLN A 960 -3.765 10.218 -1.569 1.00 0.00 C ATOM 233 CD GLN A 960 -4.459 10.359 -2.921 1.00 0.00 C ATOM 234 OE1 GLN A 960 -4.016 11.134 -3.770 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.514 9.640 -3.181 1.00 0.00 N ATOM 0 H GLN A 960 -3.085 7.814 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 960 -3.135 8.122 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.804 9.713 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.814 10.237 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.347 9.565 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.709 11.189 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.880 8.999 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.974 9.719 -4.088 1.00 0.00 H new ATOM 244 N ASP A 961 -0.266 7.318 -1.662 1.00 0.00 N ATOM 245 CA ASP A 961 1.085 6.846 -1.934 1.00 0.00 C ATOM 246 C ASP A 961 1.067 5.557 -2.745 1.00 0.00 C ATOM 247 O ASP A 961 1.931 5.347 -3.597 1.00 0.00 O ATOM 248 CB ASP A 961 1.838 6.618 -0.620 1.00 0.00 C ATOM 249 CG ASP A 961 2.185 7.958 0.023 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.020 8.970 -0.636 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.624 7.950 1.161 1.00 0.00 O ATOM 0 H ASP A 961 -0.527 7.314 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 961 1.596 7.612 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.226 6.026 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.748 6.049 -0.807 1.00 0.00 H new ATOM 256 N ILE A 962 0.095 4.685 -2.485 1.00 0.00 N ATOM 257 CA ILE A 962 0.034 3.435 -3.227 1.00 0.00 C ATOM 258 C ILE A 962 -0.295 3.753 -4.681 1.00 0.00 C ATOM 259 O ILE A 962 0.238 3.136 -5.602 1.00 0.00 O ATOM 260 CB ILE A 962 -0.998 2.458 -2.596 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.477 1.013 -2.730 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.362 2.571 -3.297 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.557 0.014 -2.306 1.00 0.00 C ATOM 0 H ILE A 962 -0.638 4.816 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 962 0.998 2.929 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.125 2.719 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.180 0.821 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.412 0.881 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.066 1.878 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.739 3.589 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.250 2.327 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -1.173 -1.001 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -1.834 0.196 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.434 0.135 -2.942 1.00 0.00 H new ATOM 275 N ILE A 963 -1.167 4.739 -4.876 1.00 0.00 N ATOM 276 CA ILE A 963 -1.538 5.145 -6.227 1.00 0.00 C ATOM 277 C ILE A 963 -0.290 5.628 -6.950 1.00 0.00 C ATOM 278 O ILE A 963 -0.052 5.285 -8.109 1.00 0.00 O ATOM 279 CB ILE A 963 -2.568 6.273 -6.175 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.876 5.724 -5.617 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.805 6.827 -7.583 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.883 6.860 -5.369 1.00 0.00 C ATOM 0 H ILE A 963 -1.623 5.263 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.975 4.298 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 963 -2.199 7.075 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.300 5.002 -6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.684 5.192 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.540 7.631 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.868 7.214 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.176 6.031 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.809 6.445 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.465 7.567 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -5.090 7.374 -6.308 1.00 0.00 H new ATOM 294 N ARG A 964 0.513 6.414 -6.249 1.00 0.00 N ATOM 295 CA ARG A 964 1.747 6.927 -6.819 1.00 0.00 C ATOM 296 C ARG A 964 2.628 5.758 -7.233 1.00 0.00 C ATOM 297 O ARG A 964 3.237 5.760 -8.302 1.00 0.00 O ATOM 298 CB ARG A 964 2.477 7.774 -5.777 1.00 0.00 C ATOM 299 CG ARG A 964 3.730 8.401 -6.392 1.00 0.00 C ATOM 300 CD ARG A 964 4.451 9.230 -5.328 1.00 0.00 C ATOM 301 NE ARG A 964 3.657 10.396 -4.968 1.00 0.00 N ATOM 302 CZ ARG A 964 4.064 11.241 -4.026 1.00 0.00 C ATOM 303 NH1 ARG A 964 5.188 11.024 -3.398 1.00 0.00 N ATOM 304 NH2 ARG A 964 3.337 12.282 -3.726 1.00 0.00 N ATOM 0 H ARG A 964 0.333 6.709 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 964 1.522 7.543 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 964 1.815 8.556 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.752 7.156 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.391 7.623 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 964 3.458 9.031 -7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.633 8.619 -4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 964 5.424 9.547 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 964 2.773 10.568 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.753 10.207 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 964 5.501 11.672 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 964 2.457 12.447 -4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 964 3.649 12.931 -3.003 1.00 0.00 H new ATOM 318 N ASP A 965 2.681 4.749 -6.372 1.00 0.00 N ATOM 319 CA ASP A 965 3.477 3.570 -6.650 1.00 0.00 C ATOM 320 C ASP A 965 2.972 2.849 -7.902 1.00 0.00 C ATOM 321 O ASP A 965 3.770 2.429 -8.740 1.00 0.00 O ATOM 322 CB ASP A 965 3.448 2.629 -5.450 1.00 0.00 C ATOM 323 CG ASP A 965 4.295 3.190 -4.313 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.461 3.456 -4.544 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.763 3.333 -3.224 1.00 0.00 O ATOM 0 H ASP A 965 2.184 4.727 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 965 4.504 3.884 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 965 2.421 2.491 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 965 3.822 1.647 -5.741 1.00 0.00 H new ATOM 330 N TRP A 966 1.651 2.712 -8.043 1.00 0.00 N ATOM 331 CA TRP A 966 1.102 2.046 -9.227 1.00 0.00 C ATOM 332 C TRP A 966 1.126 3.003 -10.416 1.00 0.00 C ATOM 333 O TRP A 966 0.816 2.615 -11.543 1.00 0.00 O ATOM 334 CB TRP A 966 -0.348 1.594 -9.001 1.00 0.00 C ATOM 335 CG TRP A 966 -0.513 0.823 -7.727 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.410 1.138 -6.765 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.175 -0.383 -7.260 1.00 0.00 C ATOM 338 NE1 TRP A 966 -1.324 0.217 -5.745 1.00 0.00 N ATOM 339 CE2 TRP A 966 -0.359 -0.735 -5.995 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.198 -1.195 -7.792 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.100 -1.843 -5.291 1.00 0.00 C ATOM 342 CZ3 TRP A 966 1.663 -2.314 -7.079 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.115 -2.635 -5.832 1.00 0.00 C ATOM 0 H TRP A 966 0.958 3.043 -7.372 1.00 0.00 H new ATOM 0 HA TRP A 966 1.719 1.169 -9.423 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.999 2.468 -8.981 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.669 0.977 -9.840 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -2.087 1.979 -6.793 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.904 0.237 -4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 966 1.627 -0.956 -8.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 -0.327 -2.090 -4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.447 -2.929 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.477 -3.495 -5.288 1.00 0.00 H new ATOM 354 N ARG A 967 1.522 4.243 -10.164 1.00 0.00 N ATOM 355 CA ARG A 967 1.610 5.244 -11.224 1.00 0.00 C ATOM 356 C ARG A 967 0.307 5.325 -12.033 1.00 0.00 C ATOM 357 O ARG A 967 0.343 5.471 -13.255 1.00 0.00 O ATOM 358 CB ARG A 967 2.795 4.891 -12.150 1.00 0.00 C ATOM 359 CG ARG A 967 3.561 6.155 -12.580 1.00 0.00 C ATOM 360 CD ARG A 967 4.545 6.584 -11.484 1.00 0.00 C ATOM 361 NE ARG A 967 5.457 7.599 -11.999 1.00 0.00 N ATOM 362 CZ ARG A 967 6.394 8.137 -11.223 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.450 7.821 -9.958 1.00 0.00 N ATOM 364 NH2 ARG A 967 7.242 8.995 -11.719 1.00 0.00 N ATOM 0 H ARG A 967 1.787 4.581 -9.239 1.00 0.00 H new ATOM 0 HA ARG A 967 1.771 6.222 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 967 3.472 4.210 -11.635 1.00 0.00 H new ATOM 0 HB3 ARG A 967 2.427 4.368 -13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.101 5.963 -13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 967 2.858 6.963 -12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 967 3.998 6.977 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.110 5.720 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 967 5.375 7.901 -12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 967 5.776 7.163 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.168 8.232 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 967 7.188 9.255 -12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 967 7.960 9.406 -11.122 1.00 0.00 H new ATOM 378 N LYS A 968 -0.840 5.242 -11.356 1.00 0.00 N ATOM 379 CA LYS A 968 -2.133 5.319 -12.044 1.00 0.00 C ATOM 380 C LYS A 968 -3.216 5.866 -11.106 1.00 0.00 C ATOM 381 O LYS A 968 -3.011 6.880 -10.439 1.00 0.00 O ATOM 382 CB LYS A 968 -2.539 3.939 -12.574 1.00 0.00 C ATOM 383 CG LYS A 968 -2.515 2.916 -11.434 1.00 0.00 C ATOM 384 CD LYS A 968 -3.237 1.633 -11.860 1.00 0.00 C ATOM 385 CE LYS A 968 -2.426 0.911 -12.940 1.00 0.00 C ATOM 386 NZ LYS A 968 -2.967 -0.464 -13.125 1.00 0.00 N ATOM 0 H LYS A 968 -0.902 5.123 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 968 -2.030 6.002 -12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -3.536 3.986 -13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.858 3.629 -13.367 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.484 2.689 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -2.994 3.335 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.374 0.980 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -4.230 1.873 -12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -2.476 1.463 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -1.376 0.865 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -2.418 -0.957 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -2.898 -0.988 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -3.964 -0.409 -13.417 1.00 0.00 H new ATOM 400 N GLU A 969 -4.374 5.202 -11.066 1.00 0.00 N ATOM 401 CA GLU A 969 -5.470 5.651 -10.209 1.00 0.00 C ATOM 402 C GLU A 969 -6.355 4.480 -9.788 1.00 0.00 C ATOM 403 O GLU A 969 -6.571 3.540 -10.554 1.00 0.00 O ATOM 404 CB GLU A 969 -6.316 6.692 -10.943 1.00 0.00 C ATOM 405 CG GLU A 969 -7.365 7.264 -9.989 1.00 0.00 C ATOM 406 CD GLU A 969 -8.159 8.364 -10.685 1.00 0.00 C ATOM 407 OE1 GLU A 969 -8.020 8.493 -11.891 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.897 9.059 -10.005 1.00 0.00 O ATOM 0 H GLU A 969 -4.574 4.363 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 969 -5.036 6.096 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.679 7.492 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.803 6.237 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -8.038 6.473 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.879 7.663 -9.098 1.00 0.00 H new ATOM 415 N MET A 970 -6.870 4.558 -8.565 1.00 0.00 N ATOM 416 CA MET A 970 -7.743 3.520 -8.024 1.00 0.00 C ATOM 417 C MET A 970 -8.660 4.128 -6.962 1.00 0.00 C ATOM 418 O MET A 970 -8.696 5.348 -6.796 1.00 0.00 O ATOM 419 CB MET A 970 -6.904 2.388 -7.406 1.00 0.00 C ATOM 420 CG MET A 970 -6.112 2.892 -6.169 1.00 0.00 C ATOM 421 SD MET A 970 -6.675 2.033 -4.673 1.00 0.00 S ATOM 422 CE MET A 970 -5.462 0.688 -4.679 1.00 0.00 C ATOM 0 H MET A 970 -6.697 5.334 -7.926 1.00 0.00 H new ATOM 0 HA MET A 970 -8.347 3.106 -8.831 1.00 0.00 H new ATOM 0 HB2 MET A 970 -7.556 1.565 -7.114 1.00 0.00 H new ATOM 0 HB3 MET A 970 -6.211 1.996 -8.151 1.00 0.00 H new ATOM 0 HG2 MET A 970 -5.046 2.721 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 970 -6.249 3.967 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.638 0.035 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.560 0.114 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.457 1.104 -4.616 1.00 0.00 H new ATOM 432 N THR A 971 -9.394 3.280 -6.243 1.00 0.00 N ATOM 433 CA THR A 971 -10.304 3.758 -5.190 1.00 0.00 C ATOM 434 C THR A 971 -9.898 3.202 -3.830 1.00 0.00 C ATOM 435 O THR A 971 -9.185 2.207 -3.738 1.00 0.00 O ATOM 436 CB THR A 971 -11.739 3.331 -5.493 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.802 1.919 -5.578 1.00 0.00 O ATOM 438 CG2 THR A 971 -12.199 3.959 -6.808 1.00 0.00 C ATOM 0 H THR A 971 -9.381 2.267 -6.364 1.00 0.00 H new ATOM 0 HA THR A 971 -10.243 4.846 -5.166 1.00 0.00 H new ATOM 0 HB THR A 971 -12.397 3.671 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 971 -12.221 1.561 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 971 -13.223 3.651 -7.020 1.00 0.00 H new ATOM 0 HG22 THR A 971 -12.156 5.045 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.547 3.629 -7.617 1.00 0.00 H new ATOM 446 N VAL A 972 -10.381 3.852 -2.780 1.00 0.00 N ATOM 447 CA VAL A 972 -10.085 3.425 -1.420 1.00 0.00 C ATOM 448 C VAL A 972 -10.592 2.002 -1.182 1.00 0.00 C ATOM 449 O VAL A 972 -9.907 1.187 -0.569 1.00 0.00 O ATOM 450 CB VAL A 972 -10.758 4.398 -0.432 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.852 3.766 0.965 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.927 5.687 -0.356 1.00 0.00 C ATOM 0 H VAL A 972 -10.979 4.676 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 972 -9.006 3.432 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.766 4.621 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.330 4.467 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.442 2.851 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.851 3.531 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.396 6.382 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.920 5.451 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.874 6.145 -1.344 1.00 0.00 H new ATOM 462 N GLN A 973 -11.801 1.715 -1.649 1.00 0.00 N ATOM 463 CA GLN A 973 -12.381 0.392 -1.448 1.00 0.00 C ATOM 464 C GLN A 973 -11.452 -0.702 -1.968 1.00 0.00 C ATOM 465 O GLN A 973 -11.250 -1.718 -1.304 1.00 0.00 O ATOM 466 CB GLN A 973 -13.730 0.293 -2.160 1.00 0.00 C ATOM 467 CG GLN A 973 -14.370 -1.057 -1.839 1.00 0.00 C ATOM 468 CD GLN A 973 -15.788 -1.111 -2.395 1.00 0.00 C ATOM 469 OE1 GLN A 973 -16.203 -2.130 -2.946 1.00 0.00 O ATOM 470 NE2 GLN A 973 -16.563 -0.066 -2.287 1.00 0.00 N ATOM 0 H GLN A 973 -12.392 2.369 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.521 0.249 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -14.384 1.104 -1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.595 0.398 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -13.773 -1.862 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -14.388 -1.212 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -16.219 0.779 -1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -17.512 -0.094 -2.659 1.00 0.00 H new ATOM 479 N GLN A 974 -10.887 -0.489 -3.152 1.00 0.00 N ATOM 480 CA GLN A 974 -9.981 -1.472 -3.734 1.00 0.00 C ATOM 481 C GLN A 974 -8.790 -1.700 -2.804 1.00 0.00 C ATOM 482 O GLN A 974 -8.359 -2.835 -2.604 1.00 0.00 O ATOM 483 CB GLN A 974 -9.492 -0.969 -5.101 1.00 0.00 C ATOM 484 CG GLN A 974 -10.495 -1.341 -6.203 1.00 0.00 C ATOM 485 CD GLN A 974 -11.921 -0.979 -5.794 1.00 0.00 C ATOM 486 OE1 GLN A 974 -12.437 -1.484 -4.797 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.595 -0.129 -6.516 1.00 0.00 N ATOM 0 H GLN A 974 -11.038 0.344 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.509 -2.417 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -9.361 0.113 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -8.518 -1.402 -5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -10.235 -0.822 -7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -10.433 -2.409 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -12.168 0.290 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -13.550 0.118 -6.255 1.00 0.00 H new ATOM 496 N PHE A 975 -8.258 -0.615 -2.250 1.00 0.00 N ATOM 497 CA PHE A 975 -7.115 -0.711 -1.350 1.00 0.00 C ATOM 498 C PHE A 975 -7.462 -1.522 -0.096 1.00 0.00 C ATOM 499 O PHE A 975 -6.693 -2.387 0.322 1.00 0.00 O ATOM 500 CB PHE A 975 -6.646 0.697 -0.961 1.00 0.00 C ATOM 501 CG PHE A 975 -5.586 0.606 0.116 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.383 -0.062 -0.140 1.00 0.00 C ATOM 503 CD2 PHE A 975 -5.807 1.191 1.368 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.403 -0.149 0.857 1.00 0.00 C ATOM 505 CE2 PHE A 975 -4.827 1.102 2.365 1.00 0.00 C ATOM 506 CZ PHE A 975 -3.627 0.432 2.108 1.00 0.00 C ATOM 0 H PHE A 975 -8.597 0.334 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.310 -1.231 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -6.246 1.211 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.491 1.286 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.210 -0.511 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.733 1.711 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.475 -0.665 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -4.998 1.551 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 975 -2.872 0.363 2.877 1.00 0.00 H new ATOM 516 N LEU A 976 -8.614 -1.234 0.501 1.00 0.00 N ATOM 517 CA LEU A 976 -9.034 -1.954 1.705 1.00 0.00 C ATOM 518 C LEU A 976 -9.225 -3.442 1.398 1.00 0.00 C ATOM 519 O LEU A 976 -8.867 -4.305 2.195 1.00 0.00 O ATOM 520 CB LEU A 976 -10.344 -1.346 2.263 1.00 0.00 C ATOM 521 CG LEU A 976 -10.055 -0.239 3.284 1.00 0.00 C ATOM 522 CD1 LEU A 976 -9.061 0.772 2.711 1.00 0.00 C ATOM 523 CD2 LEU A 976 -11.368 0.462 3.648 1.00 0.00 C ATOM 0 H LEU A 976 -9.267 -0.519 0.180 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.254 -1.854 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.937 -0.941 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -10.940 -2.129 2.732 1.00 0.00 H new ATOM 0 HG LEU A 976 -9.615 -0.681 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -8.868 1.550 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -8.128 0.265 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.478 1.222 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -11.170 1.251 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -11.809 0.897 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -12.060 -0.262 4.078 1.00 0.00 H new ATOM 535 N ASP A 977 -9.791 -3.741 0.241 1.00 0.00 N ATOM 536 CA ASP A 977 -9.995 -5.130 -0.142 1.00 0.00 C ATOM 537 C ASP A 977 -8.643 -5.797 -0.401 1.00 0.00 C ATOM 538 O ASP A 977 -8.437 -6.968 -0.076 1.00 0.00 O ATOM 539 CB ASP A 977 -10.863 -5.201 -1.399 1.00 0.00 C ATOM 540 CG ASP A 977 -11.071 -6.653 -1.815 1.00 0.00 C ATOM 541 OD1 ASP A 977 -11.755 -7.366 -1.097 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.543 -7.032 -2.848 1.00 0.00 O ATOM 0 H ASP A 977 -10.113 -3.054 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.502 -5.655 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.827 -4.727 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -10.388 -4.648 -2.209 1.00 0.00 H new ATOM 547 N LEU A 978 -7.729 -5.029 -0.996 1.00 0.00 N ATOM 548 CA LEU A 978 -6.392 -5.521 -1.318 1.00 0.00 C ATOM 549 C LEU A 978 -5.593 -5.862 -0.065 1.00 0.00 C ATOM 550 O LEU A 978 -4.994 -6.934 0.021 1.00 0.00 O ATOM 551 CB LEU A 978 -5.662 -4.459 -2.151 1.00 0.00 C ATOM 552 CG LEU A 978 -4.140 -4.780 -2.270 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.635 -4.428 -3.674 1.00 0.00 C ATOM 554 CD2 LEU A 978 -3.333 -3.955 -1.251 1.00 0.00 C ATOM 0 H LEU A 978 -7.893 -4.059 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 978 -6.489 -6.444 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -6.104 -4.407 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.794 -3.479 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 978 -4.006 -5.844 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.572 -4.656 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.182 -5.012 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.792 -3.366 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -2.274 -4.192 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.486 -2.893 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.667 -4.196 -0.242 1.00 0.00 H new ATOM 566 N LYS A 979 -5.583 -4.958 0.908 1.00 0.00 N ATOM 567 CA LYS A 979 -4.848 -5.208 2.136 1.00 0.00 C ATOM 568 C LYS A 979 -5.522 -6.330 2.905 1.00 0.00 C ATOM 569 O LYS A 979 -4.864 -7.190 3.463 1.00 0.00 O ATOM 570 CB LYS A 979 -4.771 -3.919 2.976 1.00 0.00 C ATOM 571 CG LYS A 979 -6.086 -3.665 3.705 1.00 0.00 C ATOM 572 CD LYS A 979 -6.026 -2.317 4.409 1.00 0.00 C ATOM 573 CE LYS A 979 -7.227 -2.191 5.347 1.00 0.00 C ATOM 574 NZ LYS A 979 -7.220 -0.846 5.990 1.00 0.00 N ATOM 0 H LYS A 979 -6.067 -4.061 0.870 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.828 -5.514 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -3.959 -3.999 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.539 -3.072 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -6.915 -3.681 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.271 -4.458 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -5.097 -2.228 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -6.034 -1.509 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -8.153 -2.334 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -7.190 -2.970 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -8.037 -0.762 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -6.342 -0.726 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -7.276 -0.110 5.257 1.00 0.00 H new ATOM 588 N GLU A 980 -6.844 -6.329 2.929 1.00 0.00 N ATOM 589 CA GLU A 980 -7.548 -7.377 3.640 1.00 0.00 C ATOM 590 C GLU A 980 -7.080 -8.736 3.126 1.00 0.00 C ATOM 591 O GLU A 980 -6.734 -9.623 3.909 1.00 0.00 O ATOM 592 CB GLU A 980 -9.061 -7.229 3.446 1.00 0.00 C ATOM 593 CG GLU A 980 -9.795 -8.331 4.217 1.00 0.00 C ATOM 594 CD GLU A 980 -11.303 -8.188 4.043 1.00 0.00 C ATOM 595 OE1 GLU A 980 -11.737 -7.130 3.613 1.00 0.00 O ATOM 596 OE2 GLU A 980 -12.004 -9.142 4.336 1.00 0.00 O ATOM 0 H GLU A 980 -7.437 -5.633 2.477 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.331 -7.298 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.387 -6.249 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.308 -7.288 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -9.473 -9.309 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.538 -8.276 5.275 1.00 0.00 H new ATOM 603 N ARG A 981 -7.063 -8.889 1.802 1.00 0.00 N ATOM 604 CA ARG A 981 -6.633 -10.144 1.203 1.00 0.00 C ATOM 605 C ARG A 981 -5.153 -10.417 1.481 1.00 0.00 C ATOM 606 O ARG A 981 -4.775 -11.540 1.813 1.00 0.00 O ATOM 607 CB ARG A 981 -6.866 -10.107 -0.309 1.00 0.00 C ATOM 608 CG ARG A 981 -8.368 -10.166 -0.594 1.00 0.00 C ATOM 609 CD ARG A 981 -8.607 -10.125 -2.105 1.00 0.00 C ATOM 610 NE ARG A 981 -10.043 -10.128 -2.383 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.723 -11.263 -2.533 1.00 0.00 C ATOM 612 NH1 ARG A 981 -10.118 -12.416 -2.433 1.00 0.00 N ATOM 613 NH2 ARG A 981 -12.002 -11.220 -2.781 1.00 0.00 N ATOM 0 H ARG A 981 -7.339 -8.168 1.135 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.221 -10.946 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.440 -9.197 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.361 -10.947 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.792 -11.078 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.873 -9.328 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -8.147 -9.233 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -8.134 -10.985 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.536 -9.239 -2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -9.117 -12.452 -2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -10.646 -13.281 -2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.476 -10.320 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -12.528 -12.086 -2.897 1.00 0.00 H new ATOM 627 N ALA A 982 -4.315 -9.387 1.343 1.00 0.00 N ATOM 628 CA ALA A 982 -2.880 -9.551 1.576 1.00 0.00 C ATOM 629 C ALA A 982 -2.598 -9.918 3.032 1.00 0.00 C ATOM 630 O ALA A 982 -1.859 -10.860 3.317 1.00 0.00 O ATOM 631 CB ALA A 982 -2.139 -8.251 1.191 1.00 0.00 C ATOM 0 H ALA A 982 -4.600 -8.445 1.075 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.517 -10.368 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.070 -8.376 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.311 -8.032 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.512 -7.426 1.798 1.00 0.00 H new ATOM 637 N LEU A 983 -3.198 -9.169 3.939 1.00 0.00 N ATOM 638 CA LEU A 983 -3.022 -9.412 5.358 1.00 0.00 C ATOM 639 C LEU A 983 -3.662 -10.748 5.739 1.00 0.00 C ATOM 640 O LEU A 983 -3.311 -11.347 6.755 1.00 0.00 O ATOM 641 CB LEU A 983 -3.660 -8.265 6.159 1.00 0.00 C ATOM 642 CG LEU A 983 -2.686 -7.078 6.286 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.031 -6.738 4.939 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.457 -5.858 6.799 1.00 0.00 C ATOM 0 H LEU A 983 -3.813 -8.386 3.717 1.00 0.00 H new ATOM 0 HA LEU A 983 -1.958 -9.457 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.576 -7.938 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -3.939 -8.620 7.151 1.00 0.00 H new ATOM 0 HG LEU A 983 -1.895 -7.354 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.351 -5.896 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.474 -7.602 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.802 -6.474 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.777 -5.011 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.253 -5.609 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.891 -6.085 7.773 1.00 0.00 H new ATOM 656 N SER A 984 -4.606 -11.202 4.917 1.00 0.00 N ATOM 657 CA SER A 984 -5.293 -12.463 5.174 1.00 0.00 C ATOM 658 C SER A 984 -4.429 -13.645 4.741 1.00 0.00 C ATOM 659 O SER A 984 -4.798 -14.802 4.945 1.00 0.00 O ATOM 660 CB SER A 984 -6.619 -12.501 4.416 1.00 0.00 C ATOM 661 OG SER A 984 -7.519 -11.564 4.990 1.00 0.00 O ATOM 0 H SER A 984 -4.910 -10.718 4.072 1.00 0.00 H new ATOM 0 HA SER A 984 -5.482 -12.536 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.456 -12.267 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.045 -13.503 4.457 1.00 0.00 H new ATOM 0 HG SER A 984 -7.141 -10.662 4.920 1.00 0.00 H new ATOM 667 N GLY A 985 -3.267 -13.349 4.157 1.00 0.00 N ATOM 668 CA GLY A 985 -2.344 -14.397 3.713 1.00 0.00 C ATOM 669 C GLY A 985 -2.545 -14.755 2.243 1.00 0.00 C ATOM 670 O GLY A 985 -2.210 -15.862 1.820 1.00 0.00 O ATOM 0 H GLY A 985 -2.943 -12.398 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.318 -14.064 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -2.486 -15.288 4.325 1.00 0.00 H new ATOM 674 N ALA A 986 -3.078 -13.819 1.464 1.00 0.00 N ATOM 675 CA ALA A 986 -3.295 -14.063 0.039 1.00 0.00 C ATOM 676 C ALA A 986 -1.966 -14.253 -0.672 1.00 0.00 C ATOM 677 O ALA A 986 -0.951 -13.694 -0.257 1.00 0.00 O ATOM 678 CB ALA A 986 -4.015 -12.882 -0.594 1.00 0.00 C ATOM 0 H ALA A 986 -3.365 -12.895 1.788 1.00 0.00 H new ATOM 0 HA ALA A 986 -3.900 -14.964 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.170 -13.077 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -4.979 -12.740 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.412 -11.982 -0.475 1.00 0.00 H new ATOM 684 N SER A 987 -1.977 -15.032 -1.755 1.00 0.00 N ATOM 685 CA SER A 987 -0.760 -15.273 -2.529 1.00 0.00 C ATOM 686 C SER A 987 -0.830 -14.569 -3.882 1.00 0.00 C ATOM 687 O SER A 987 0.126 -14.604 -4.656 1.00 0.00 O ATOM 688 CB SER A 987 -0.564 -16.774 -2.749 1.00 0.00 C ATOM 689 OG SER A 987 -1.648 -17.285 -3.516 1.00 0.00 O ATOM 0 H SER A 987 -2.808 -15.503 -2.113 1.00 0.00 H new ATOM 0 HA SER A 987 0.083 -14.873 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 987 0.379 -16.957 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 987 -0.508 -17.289 -1.790 1.00 0.00 H new ATOM 0 HG SER A 987 -1.523 -18.246 -3.659 1.00 0.00 H new ATOM 695 N ASP A 988 -1.955 -13.914 -4.159 1.00 0.00 N ATOM 696 CA ASP A 988 -2.112 -13.188 -5.418 1.00 0.00 C ATOM 697 C ASP A 988 -0.883 -12.310 -5.645 1.00 0.00 C ATOM 698 O ASP A 988 -0.267 -11.870 -4.681 1.00 0.00 O ATOM 699 CB ASP A 988 -3.374 -12.321 -5.352 1.00 0.00 C ATOM 700 CG ASP A 988 -4.610 -13.210 -5.335 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.450 -14.415 -5.434 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.699 -12.676 -5.206 1.00 0.00 O ATOM 0 H ASP A 988 -2.763 -13.870 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.209 -13.892 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.351 -11.697 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.410 -11.649 -6.209 1.00 0.00 H new ATOM 707 N PRO A 989 -0.499 -12.047 -6.869 1.00 0.00 N ATOM 708 CA PRO A 989 0.709 -11.214 -7.143 1.00 0.00 C ATOM 709 C PRO A 989 0.595 -9.831 -6.501 1.00 0.00 C ATOM 710 O PRO A 989 1.575 -9.290 -5.995 1.00 0.00 O ATOM 711 CB PRO A 989 0.762 -11.137 -8.683 1.00 0.00 C ATOM 712 CG PRO A 989 -0.614 -11.509 -9.143 1.00 0.00 C ATOM 713 CD PRO A 989 -1.155 -12.492 -8.107 1.00 0.00 C ATOM 0 HA PRO A 989 1.619 -11.639 -6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 989 1.032 -10.135 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.510 -11.820 -9.086 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.252 -10.628 -9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -0.584 -11.963 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.241 -12.443 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -0.899 -13.522 -8.354 1.00 0.00 H new ATOM 721 N ASP A 990 -0.610 -9.281 -6.503 1.00 0.00 N ATOM 722 CA ASP A 990 -0.836 -7.977 -5.897 1.00 0.00 C ATOM 723 C ASP A 990 -0.675 -8.059 -4.381 1.00 0.00 C ATOM 724 O ASP A 990 -0.289 -7.088 -3.732 1.00 0.00 O ATOM 725 CB ASP A 990 -2.241 -7.475 -6.231 1.00 0.00 C ATOM 726 CG ASP A 990 -2.323 -7.097 -7.707 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.292 -7.109 -8.359 1.00 0.00 O ATOM 728 OD2 ASP A 990 -3.413 -6.784 -8.159 1.00 0.00 O ATOM 0 H ASP A 990 -1.439 -9.712 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.099 -7.281 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -2.976 -8.247 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.484 -6.611 -5.612 1.00 0.00 H new ATOM 733 N SER A 991 -1.002 -9.220 -3.821 1.00 0.00 N ATOM 734 CA SER A 991 -0.915 -9.411 -2.378 1.00 0.00 C ATOM 735 C SER A 991 0.532 -9.414 -1.893 1.00 0.00 C ATOM 736 O SER A 991 0.898 -8.642 -1.006 1.00 0.00 O ATOM 737 CB SER A 991 -1.590 -10.725 -1.995 1.00 0.00 C ATOM 738 OG SER A 991 -2.984 -10.621 -2.249 1.00 0.00 O ATOM 0 H SER A 991 -1.327 -10.036 -4.340 1.00 0.00 H new ATOM 0 HA SER A 991 -1.424 -8.576 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 991 -1.163 -11.548 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.415 -10.945 -0.942 1.00 0.00 H new ATOM 0 HG SER A 991 -3.415 -10.135 -1.515 1.00 0.00 H new ATOM 744 N GLN A 992 1.356 -10.270 -2.486 1.00 0.00 N ATOM 745 CA GLN A 992 2.761 -10.343 -2.102 1.00 0.00 C ATOM 746 C GLN A 992 3.474 -9.056 -2.504 1.00 0.00 C ATOM 747 O GLN A 992 4.336 -8.557 -1.778 1.00 0.00 O ATOM 748 CB GLN A 992 3.441 -11.556 -2.753 1.00 0.00 C ATOM 749 CG GLN A 992 2.899 -11.760 -4.169 1.00 0.00 C ATOM 750 CD GLN A 992 3.821 -12.683 -4.957 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.966 -12.326 -5.240 1.00 0.00 O ATOM 752 NE2 GLN A 992 3.392 -13.858 -5.330 1.00 0.00 N ATOM 0 H GLN A 992 1.081 -10.916 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 992 2.821 -10.461 -1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.520 -11.405 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.262 -12.449 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.897 -12.186 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.815 -10.799 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 992 2.444 -14.153 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 992 4.005 -14.481 -5.856 1.00 0.00 H new ATOM 761 N ARG A 993 3.104 -8.512 -3.659 1.00 0.00 N ATOM 762 CA ARG A 993 3.717 -7.277 -4.125 1.00 0.00 C ATOM 763 C ARG A 993 3.406 -6.152 -3.146 1.00 0.00 C ATOM 764 O ARG A 993 4.275 -5.346 -2.823 1.00 0.00 O ATOM 765 CB ARG A 993 3.205 -6.921 -5.527 1.00 0.00 C ATOM 766 CG ARG A 993 3.791 -7.905 -6.566 1.00 0.00 C ATOM 767 CD ARG A 993 5.067 -7.333 -7.197 1.00 0.00 C ATOM 768 NE ARG A 993 6.050 -7.008 -6.168 1.00 0.00 N ATOM 769 CZ ARG A 993 6.863 -7.934 -5.667 1.00 0.00 C ATOM 770 NH1 ARG A 993 6.760 -9.175 -6.059 1.00 0.00 N ATOM 771 NH2 ARG A 993 7.748 -7.608 -4.766 1.00 0.00 N ATOM 0 H ARG A 993 2.394 -8.901 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 993 4.797 -7.414 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 993 2.116 -6.963 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.490 -5.900 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.013 -8.858 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.053 -8.103 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 993 5.489 -8.056 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 993 4.825 -6.439 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 993 6.115 -6.049 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 993 6.056 -9.435 -6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 993 7.384 -9.885 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 993 7.817 -6.642 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 993 8.371 -8.319 -4.382 1.00 0.00 H new ATOM 785 N TYR A 994 2.170 -6.128 -2.650 1.00 0.00 N ATOM 786 CA TYR A 994 1.770 -5.119 -1.679 1.00 0.00 C ATOM 787 C TYR A 994 2.609 -5.271 -0.415 1.00 0.00 C ATOM 788 O TYR A 994 3.138 -4.293 0.115 1.00 0.00 O ATOM 789 CB TYR A 994 0.283 -5.262 -1.342 1.00 0.00 C ATOM 790 CG TYR A 994 -0.060 -4.335 -0.197 1.00 0.00 C ATOM 791 CD1 TYR A 994 0.081 -2.952 -0.355 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.503 -4.857 1.025 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.217 -2.091 0.707 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.805 -3.994 2.088 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.660 -2.610 1.927 1.00 0.00 C ATOM 796 OH TYR A 994 -0.949 -1.758 2.973 1.00 0.00 O ATOM 0 H TYR A 994 1.437 -6.790 -2.903 1.00 0.00 H new ATOM 0 HA TYR A 994 1.933 -4.129 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.324 -5.022 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.057 -6.293 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.420 -2.549 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.612 -5.924 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.105 -1.024 0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -1.149 -4.396 3.030 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.685 -1.164 2.717 1.00 0.00 H new ATOM 806 N ASN A 995 2.738 -6.507 0.059 1.00 0.00 N ATOM 807 CA ASN A 995 3.527 -6.768 1.252 1.00 0.00 C ATOM 808 C ASN A 995 4.956 -6.292 1.018 1.00 0.00 C ATOM 809 O ASN A 995 5.571 -5.682 1.893 1.00 0.00 O ATOM 810 CB ASN A 995 3.521 -8.269 1.562 1.00 0.00 C ATOM 811 CG ASN A 995 2.196 -8.663 2.207 1.00 0.00 C ATOM 812 OD1 ASN A 995 1.573 -7.848 2.888 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.723 -9.866 2.029 1.00 0.00 N ATOM 0 H ASN A 995 2.311 -7.333 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 995 3.098 -6.233 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 995 3.672 -8.839 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.347 -8.514 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 995 0.835 -10.133 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.241 -10.539 1.464 1.00 0.00 H new ATOM 820 N ALA A 996 5.473 -6.548 -0.176 1.00 0.00 N ATOM 821 CA ALA A 996 6.819 -6.109 -0.506 1.00 0.00 C ATOM 822 C ALA A 996 6.883 -4.592 -0.502 1.00 0.00 C ATOM 823 O ALA A 996 7.833 -4.004 -0.010 1.00 0.00 O ATOM 824 CB ALA A 996 7.214 -6.601 -1.891 1.00 0.00 C ATOM 0 H ALA A 996 4.989 -7.049 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 996 7.502 -6.518 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.224 -6.264 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.181 -7.690 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.520 -6.202 -2.631 1.00 0.00 H new ATOM 830 N TRP A 997 5.863 -3.957 -1.056 1.00 0.00 N ATOM 831 CA TRP A 997 5.850 -2.507 -1.097 1.00 0.00 C ATOM 832 C TRP A 997 6.004 -1.974 0.318 1.00 0.00 C ATOM 833 O TRP A 997 6.736 -1.013 0.558 1.00 0.00 O ATOM 834 CB TRP A 997 4.552 -2.003 -1.731 1.00 0.00 C ATOM 835 CG TRP A 997 4.491 -0.513 -1.632 1.00 0.00 C ATOM 836 CD1 TRP A 997 5.285 0.343 -2.319 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.604 0.315 -0.825 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.947 1.639 -1.978 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.918 1.675 -1.059 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.574 0.022 0.088 1.00 0.00 C ATOM 841 CZ2 TRP A 997 3.231 2.706 -0.416 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.881 1.058 0.735 1.00 0.00 C ATOM 843 CH2 TRP A 997 2.209 2.397 0.484 1.00 0.00 C ATOM 0 H TRP A 997 5.051 -4.411 -1.474 1.00 0.00 H new ATOM 0 HA TRP A 997 6.678 -2.149 -1.708 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.502 -2.310 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.693 -2.446 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 997 6.057 0.059 -3.019 1.00 0.00 H new ATOM 0 HE1 TRP A 997 5.403 2.468 -2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.315 -1.006 0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 3.488 3.736 -0.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 1.090 0.821 1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.672 3.189 0.986 1.00 0.00 H new ATOM 854 N LEU A 998 5.327 -2.620 1.259 1.00 0.00 N ATOM 855 CA LEU A 998 5.434 -2.215 2.650 1.00 0.00 C ATOM 856 C LEU A 998 6.880 -2.423 3.096 1.00 0.00 C ATOM 857 O LEU A 998 7.449 -1.600 3.813 1.00 0.00 O ATOM 858 CB LEU A 998 4.485 -3.046 3.526 1.00 0.00 C ATOM 859 CG LEU A 998 3.040 -2.528 3.389 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.062 -3.616 3.845 1.00 0.00 C ATOM 861 CD2 LEU A 998 2.829 -1.271 4.254 1.00 0.00 C ATOM 0 H LEU A 998 4.709 -3.413 1.087 1.00 0.00 H new ATOM 0 HA LEU A 998 5.154 -1.167 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.532 -4.095 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 998 4.801 -2.993 4.568 1.00 0.00 H new ATOM 0 HG LEU A 998 2.861 -2.274 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.040 -3.250 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.190 -4.503 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.260 -3.870 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.803 -0.921 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.019 -1.513 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.516 -0.488 3.932 1.00 0.00 H new ATOM 873 N GLU A 999 7.467 -3.539 2.654 1.00 0.00 N ATOM 874 CA GLU A 999 8.850 -3.859 3.000 1.00 0.00 C ATOM 875 C GLU A 999 9.789 -2.767 2.497 1.00 0.00 C ATOM 876 O GLU A 999 10.669 -2.307 3.227 1.00 0.00 O ATOM 877 CB GLU A 999 9.252 -5.213 2.388 1.00 0.00 C ATOM 878 CG GLU A 999 10.650 -5.604 2.877 1.00 0.00 C ATOM 879 CD GLU A 999 11.049 -6.943 2.269 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.180 -7.607 1.727 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.217 -7.288 2.352 1.00 0.00 O ATOM 0 H GLU A 999 7.008 -4.230 2.060 1.00 0.00 H new ATOM 0 HA GLU A 999 8.929 -3.921 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 999 8.530 -5.979 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.241 -5.149 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.372 -4.837 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 999 10.660 -5.670 3.965 1.00 0.00 H new ATOM 888 N LEU A1000 9.597 -2.344 1.249 1.00 0.00 N ATOM 889 CA LEU A1000 10.438 -1.297 0.683 1.00 0.00 C ATOM 890 C LEU A1000 10.244 -0.007 1.461 1.00 0.00 C ATOM 891 O LEU A1000 11.194 0.729 1.727 1.00 0.00 O ATOM 892 CB LEU A1000 10.091 -1.040 -0.789 1.00 0.00 C ATOM 893 CG LEU A1000 10.082 -2.344 -1.613 1.00 0.00 C ATOM 894 CD1 LEU A1000 10.237 -2.005 -3.097 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.216 -3.286 -1.181 1.00 0.00 C ATOM 0 H LEU A1000 8.878 -2.704 0.621 1.00 0.00 H new ATOM 0 HA LEU A1000 11.474 -1.629 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A1000 9.113 -0.563 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A1000 10.814 -0.345 -1.217 1.00 0.00 H new ATOM 0 HG LEU A1000 9.134 -2.853 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A1000 10.231 -2.924 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A1000 9.411 -1.368 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A1000 11.180 -1.481 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.182 -4.196 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A1000 12.176 -2.791 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.096 -3.541 -0.128 1.00 0.00 H new ATOM 907 N ARG A1001 9.006 0.271 1.826 1.00 0.00 N ATOM 908 CA ARG A1001 8.723 1.473 2.575 1.00 0.00 C ATOM 909 C ARG A1001 9.460 1.452 3.906 1.00 0.00 C ATOM 910 O ARG A1001 10.076 2.436 4.312 1.00 0.00 O ATOM 911 CB ARG A1001 7.223 1.592 2.818 1.00 0.00 C ATOM 912 CG ARG A1001 6.958 2.788 3.725 1.00 0.00 C ATOM 913 CD ARG A1001 5.465 3.110 3.720 1.00 0.00 C ATOM 914 NE ARG A1001 5.192 4.269 4.562 1.00 0.00 N ATOM 915 CZ ARG A1001 5.057 4.152 5.879 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.171 2.983 6.452 1.00 0.00 N ATOM 917 NH2 ARG A1001 4.803 5.209 6.600 1.00 0.00 N ATOM 0 H ARG A1001 8.195 -0.311 1.618 1.00 0.00 H new ATOM 0 HA ARG A1001 9.063 2.333 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.697 1.714 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.843 0.680 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.290 2.569 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.528 3.651 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A1001 5.132 3.307 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A1001 4.900 2.250 4.080 1.00 0.00 H new ATOM 0 HE ARG A1001 5.103 5.189 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.364 2.155 5.888 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.067 2.898 7.463 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.709 6.121 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A1001 4.699 5.124 7.611 1.00 0.00 H new ATOM 931 N ALA A1002 9.387 0.318 4.576 1.00 0.00 N ATOM 932 CA ALA A1002 10.045 0.162 5.857 1.00 0.00 C ATOM 933 C ALA A1002 11.552 0.271 5.677 1.00 0.00 C ATOM 934 O ALA A1002 12.269 0.717 6.573 1.00 0.00 O ATOM 935 CB ALA A1002 9.688 -1.196 6.465 1.00 0.00 C ATOM 0 H ALA A1002 8.880 -0.507 4.255 1.00 0.00 H new ATOM 0 HA ALA A1002 9.708 0.950 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A1002 10.187 -1.306 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A1002 8.609 -1.259 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.014 -1.992 5.795 1.00 0.00 H new