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 -71:sc= -3.03! USER MOD Set 1.2: A 974 GLN : amide:sc= -7.12! C(o=-10!,f=-9.9!) USER MOD Single : A 956 TYR OH : rot 180:sc= 0 USER MOD Single : A 960 GLN : amide:sc= 0.0636! K(o=0.064!,f=-1.3) 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= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 979 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 984 SER OG : rot 79:sc= 0.973 USER MOD Single : A 987 SER OG : rot 180:sc= 0 USER MOD Single : A 991 SER OG : rot -154:sc= 0.359 USER MOD Single : A 992 GLN : amide:sc= -0.515 K(o=-0.52,f=-1.5!) USER MOD Single : A 994 TYR OH : rot 180:sc= 0 USER MOD Single : A 995 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 952 -8.405 7.134 8.226 1.00 0.00 N ATOM 93 CA ARG A 952 -7.910 8.190 9.098 1.00 0.00 C ATOM 94 C ARG A 952 -6.863 9.013 8.358 1.00 0.00 C ATOM 95 O ARG A 952 -6.481 8.674 7.239 1.00 0.00 O ATOM 96 CB ARG A 952 -7.284 7.583 10.362 1.00 0.00 C ATOM 97 CG ARG A 952 -8.099 6.374 10.825 1.00 0.00 C ATOM 98 CD ARG A 952 -9.551 6.780 11.049 1.00 0.00 C ATOM 99 NE ARG A 952 -10.277 5.691 11.693 1.00 0.00 N ATOM 100 CZ ARG A 952 -11.604 5.632 11.670 1.00 0.00 C ATOM 101 NH1 ARG A 952 -12.293 6.560 11.064 1.00 0.00 N ATOM 102 NH2 ARG A 952 -12.224 4.641 12.250 1.00 0.00 N ATOM 0 HA ARG A 952 -8.743 8.831 9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 952 -6.256 7.282 10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 952 -7.247 8.331 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 952 -8.045 5.581 10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 952 -7.678 5.973 11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 952 -9.596 7.675 11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 952 -10.020 7.028 10.097 1.00 0.00 H new ATOM 0 HE ARG A 952 -9.754 4.958 12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 952 -11.813 7.334 10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 952 -13.312 6.511 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 952 -11.690 3.911 12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 952 -13.243 4.596 12.232 1.00 0.00 H new ATOM 116 N ASP A 953 -6.385 10.082 8.988 1.00 0.00 N ATOM 117 CA ASP A 953 -5.368 10.910 8.361 1.00 0.00 C ATOM 118 C ASP A 953 -4.180 10.036 7.990 1.00 0.00 C ATOM 119 O ASP A 953 -3.615 10.159 6.905 1.00 0.00 O ATOM 120 CB ASP A 953 -4.916 12.009 9.324 1.00 0.00 C ATOM 121 CG ASP A 953 -4.381 11.381 10.608 1.00 0.00 C ATOM 122 OD1 ASP A 953 -5.063 10.531 11.157 1.00 0.00 O ATOM 123 OD2 ASP A 953 -3.295 11.756 11.021 1.00 0.00 O ATOM 0 H ASP A 953 -6.680 10.389 9.915 1.00 0.00 H new ATOM 0 HA ASP A 953 -5.781 11.376 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 953 -4.143 12.619 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 953 -5.751 12.672 9.552 1.00 0.00 H new ATOM 128 N ASP A 954 -3.818 9.140 8.901 1.00 0.00 N ATOM 129 CA ASP A 954 -2.710 8.229 8.663 1.00 0.00 C ATOM 130 C ASP A 954 -3.023 7.294 7.499 1.00 0.00 C ATOM 131 O ASP A 954 -2.185 7.077 6.627 1.00 0.00 O ATOM 132 CB ASP A 954 -2.431 7.401 9.919 1.00 0.00 C ATOM 133 CG ASP A 954 -1.166 6.573 9.719 1.00 0.00 C ATOM 134 OD1 ASP A 954 -0.381 6.926 8.856 1.00 0.00 O ATOM 135 OD2 ASP A 954 -1.001 5.595 10.432 1.00 0.00 O ATOM 0 H ASP A 954 -4.274 9.027 9.806 1.00 0.00 H new ATOM 0 HA ASP A 954 -1.829 8.821 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 954 -2.315 8.058 10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 954 -3.276 6.746 10.130 1.00 0.00 H new ATOM 140 N GLU A 955 -4.233 6.734 7.499 1.00 0.00 N ATOM 141 CA GLU A 955 -4.630 5.814 6.439 1.00 0.00 C ATOM 142 C GLU A 955 -4.695 6.533 5.096 1.00 0.00 C ATOM 143 O GLU A 955 -4.321 5.978 4.062 1.00 0.00 O ATOM 144 CB GLU A 955 -6.003 5.208 6.729 1.00 0.00 C ATOM 145 CG GLU A 955 -6.015 4.547 8.110 1.00 0.00 C ATOM 146 CD GLU A 955 -7.222 3.619 8.234 1.00 0.00 C ATOM 147 OE1 GLU A 955 -7.862 3.373 7.224 1.00 0.00 O ATOM 148 OE2 GLU A 955 -7.485 3.165 9.334 1.00 0.00 O ATOM 0 H GLU A 955 -4.944 6.899 8.211 1.00 0.00 H new ATOM 0 HA GLU A 955 -3.881 5.023 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 955 -6.767 5.984 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 955 -6.251 4.472 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 955 -5.095 3.982 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 955 -6.051 5.310 8.887 1.00 0.00 H new ATOM 155 N TYR A 956 -5.180 7.765 5.127 1.00 0.00 N ATOM 156 CA TYR A 956 -5.304 8.562 3.914 1.00 0.00 C ATOM 157 C TYR A 956 -3.943 8.718 3.246 1.00 0.00 C ATOM 158 O TYR A 956 -3.819 8.613 2.026 1.00 0.00 O ATOM 159 CB TYR A 956 -5.866 9.943 4.263 1.00 0.00 C ATOM 160 CG TYR A 956 -5.874 10.819 3.031 1.00 0.00 C ATOM 161 CD1 TYR A 956 -6.932 10.739 2.116 1.00 0.00 C ATOM 162 CD2 TYR A 956 -4.817 11.711 2.802 1.00 0.00 C ATOM 163 CE1 TYR A 956 -6.934 11.553 0.976 1.00 0.00 C ATOM 164 CE2 TYR A 956 -4.818 12.522 1.664 1.00 0.00 C ATOM 165 CZ TYR A 956 -5.877 12.444 0.750 1.00 0.00 C ATOM 166 OH TYR A 956 -5.875 13.243 -0.375 1.00 0.00 O ATOM 0 H TYR A 956 -5.494 8.235 5.976 1.00 0.00 H new ATOM 0 HA TYR A 956 -5.980 8.056 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 956 -6.877 9.845 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 956 -5.262 10.404 5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 956 -7.746 10.050 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 956 -4.001 11.771 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 956 -7.750 11.494 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 956 -4.003 13.209 1.489 1.00 0.00 H new ATOM 0 HH TYR A 956 -5.070 13.803 -0.377 1.00 0.00 H new ATOM 176 N ASP A 957 -2.931 8.981 4.061 1.00 0.00 N ATOM 177 CA ASP A 957 -1.579 9.163 3.548 1.00 0.00 C ATOM 178 C ASP A 957 -1.077 7.886 2.884 1.00 0.00 C ATOM 179 O ASP A 957 -0.415 7.933 1.845 1.00 0.00 O ATOM 180 CB ASP A 957 -0.634 9.554 4.686 1.00 0.00 C ATOM 181 CG ASP A 957 -0.911 10.989 5.127 1.00 0.00 C ATOM 182 OD1 ASP A 957 -1.648 11.670 4.433 1.00 0.00 O ATOM 183 OD2 ASP A 957 -0.380 11.385 6.151 1.00 0.00 O ATOM 0 H ASP A 957 -3.018 9.073 5.073 1.00 0.00 H new ATOM 0 HA ASP A 957 -1.601 9.960 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 957 -0.765 8.875 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 957 0.401 9.459 4.358 1.00 0.00 H new ATOM 188 N GLU A 958 -1.384 6.744 3.495 1.00 0.00 N ATOM 189 CA GLU A 958 -0.950 5.457 2.961 1.00 0.00 C ATOM 190 C GLU A 958 -1.627 5.172 1.619 1.00 0.00 C ATOM 191 O GLU A 958 -0.980 4.694 0.685 1.00 0.00 O ATOM 192 CB GLU A 958 -1.270 4.335 3.971 1.00 0.00 C ATOM 193 CG GLU A 958 -0.092 4.132 4.935 1.00 0.00 C ATOM 194 CD GLU A 958 0.131 5.388 5.769 1.00 0.00 C ATOM 195 OE1 GLU A 958 0.881 6.243 5.326 1.00 0.00 O ATOM 196 OE2 GLU A 958 -0.454 5.479 6.835 1.00 0.00 O ATOM 0 H GLU A 958 -1.929 6.684 4.355 1.00 0.00 H new ATOM 0 HA GLU A 958 0.127 5.493 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 958 -2.169 4.588 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 958 -1.478 3.406 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 958 -0.291 3.283 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 958 0.811 3.896 4.372 1.00 0.00 H new ATOM 203 N TRP A 959 -2.922 5.461 1.516 1.00 0.00 N ATOM 204 CA TRP A 959 -3.626 5.216 0.268 1.00 0.00 C ATOM 205 C TRP A 959 -3.038 6.099 -0.835 1.00 0.00 C ATOM 206 O TRP A 959 -2.659 5.613 -1.890 1.00 0.00 O ATOM 207 CB TRP A 959 -5.127 5.481 0.455 1.00 0.00 C ATOM 208 CG TRP A 959 -5.824 5.533 -0.864 1.00 0.00 C ATOM 209 CD1 TRP A 959 -5.772 4.583 -1.823 1.00 0.00 C ATOM 210 CD2 TRP A 959 -6.685 6.585 -1.370 1.00 0.00 C ATOM 211 NE1 TRP A 959 -6.558 4.987 -2.891 1.00 0.00 N ATOM 212 CE2 TRP A 959 -7.141 6.219 -2.656 1.00 0.00 C ATOM 213 CE3 TRP A 959 -7.110 7.809 -0.834 1.00 0.00 C ATOM 214 CZ2 TRP A 959 -7.994 7.046 -3.388 1.00 0.00 C ATOM 215 CZ3 TRP A 959 -7.967 8.645 -1.564 1.00 0.00 C ATOM 216 CH2 TRP A 959 -8.410 8.264 -2.839 1.00 0.00 C ATOM 0 H TRP A 959 -3.491 5.856 2.265 1.00 0.00 H new ATOM 0 HA TRP A 959 -3.502 4.174 -0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 959 -5.565 4.697 1.072 1.00 0.00 H new ATOM 0 HB3 TRP A 959 -5.271 6.422 0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 959 -5.211 3.662 -1.767 1.00 0.00 H new ATOM 0 HE1 TRP A 959 -6.690 4.443 -3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 959 -6.775 8.110 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 959 -8.330 6.748 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 959 -8.287 9.586 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 959 -9.072 8.910 -3.397 1.00 0.00 H new ATOM 227 N GLN A 960 -2.927 7.390 -0.579 1.00 0.00 N ATOM 228 CA GLN A 960 -2.356 8.290 -1.577 1.00 0.00 C ATOM 229 C GLN A 960 -0.962 7.813 -1.977 1.00 0.00 C ATOM 230 O GLN A 960 -0.586 7.852 -3.154 1.00 0.00 O ATOM 231 CB GLN A 960 -2.280 9.711 -1.013 1.00 0.00 C ATOM 232 CG GLN A 960 -3.696 10.245 -0.789 1.00 0.00 C ATOM 233 CD GLN A 960 -4.394 10.453 -2.130 1.00 0.00 C ATOM 234 OE1 GLN A 960 -3.945 11.253 -2.949 1.00 0.00 O ATOM 235 NE2 GLN A 960 -5.471 9.770 -2.405 1.00 0.00 N ATOM 0 H GLN A 960 -3.217 7.836 0.291 1.00 0.00 H new ATOM 0 HA GLN A 960 -2.995 8.291 -2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 960 -1.726 9.712 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 960 -1.740 10.359 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 960 -4.265 9.544 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 960 -3.656 11.186 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 960 -5.842 9.107 -1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 960 -5.942 9.899 -3.300 1.00 0.00 H new ATOM 244 N ASP A 961 -0.203 7.355 -0.991 1.00 0.00 N ATOM 245 CA ASP A 961 1.146 6.869 -1.243 1.00 0.00 C ATOM 246 C ASP A 961 1.105 5.625 -2.136 1.00 0.00 C ATOM 247 O ASP A 961 1.996 5.421 -2.963 1.00 0.00 O ATOM 248 CB ASP A 961 1.831 6.529 0.092 1.00 0.00 C ATOM 249 CG ASP A 961 2.446 7.780 0.728 1.00 0.00 C ATOM 250 OD1 ASP A 961 2.688 8.738 0.013 1.00 0.00 O ATOM 251 OD2 ASP A 961 2.655 7.763 1.929 1.00 0.00 O ATOM 0 H ASP A 961 -0.496 7.310 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 961 1.712 7.648 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 961 1.105 6.089 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 961 2.607 5.782 -0.073 1.00 0.00 H new ATOM 256 N ILE A 962 0.078 4.790 -1.968 1.00 0.00 N ATOM 257 CA ILE A 962 -0.017 3.581 -2.773 1.00 0.00 C ATOM 258 C ILE A 962 -0.214 3.983 -4.235 1.00 0.00 C ATOM 259 O ILE A 962 0.375 3.393 -5.143 1.00 0.00 O ATOM 260 CB ILE A 962 -1.176 2.676 -2.251 1.00 0.00 C ATOM 261 CG1 ILE A 962 -0.723 1.203 -2.262 1.00 0.00 C ATOM 262 CG2 ILE A 962 -2.441 2.822 -3.124 1.00 0.00 C ATOM 263 CD1 ILE A 962 -1.844 0.298 -1.744 1.00 0.00 C ATOM 0 H ILE A 962 -0.679 4.926 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 962 0.900 2.997 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 962 -1.419 2.991 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 962 -0.447 0.908 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 962 0.165 1.084 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 962 -3.229 2.178 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 962 -2.777 3.859 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 962 -2.211 2.532 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 962 -1.510 -0.739 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 962 -2.100 0.584 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 962 -2.722 0.405 -2.382 1.00 0.00 H new ATOM 275 N ILE A 963 -1.038 5.008 -4.450 1.00 0.00 N ATOM 276 CA ILE A 963 -1.290 5.497 -5.803 1.00 0.00 C ATOM 277 C ILE A 963 0.018 5.959 -6.416 1.00 0.00 C ATOM 278 O ILE A 963 0.319 5.658 -7.571 1.00 0.00 O ATOM 279 CB ILE A 963 -2.276 6.665 -5.767 1.00 0.00 C ATOM 280 CG1 ILE A 963 -3.546 6.230 -5.054 1.00 0.00 C ATOM 281 CG2 ILE A 963 -2.628 7.110 -7.189 1.00 0.00 C ATOM 282 CD1 ILE A 963 -4.527 7.400 -4.983 1.00 0.00 C ATOM 0 H ILE A 963 -1.536 5.510 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 963 -1.718 4.693 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 963 -1.815 7.498 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -4.002 5.393 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -3.308 5.881 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -3.331 7.942 -7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 963 -1.722 7.426 -7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 963 -3.082 6.279 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -5.435 7.083 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -4.071 8.225 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -4.775 7.728 -5.992 1.00 0.00 H new ATOM 294 N ARG A 964 0.800 6.680 -5.626 1.00 0.00 N ATOM 295 CA ARG A 964 2.086 7.164 -6.095 1.00 0.00 C ATOM 296 C ARG A 964 2.948 5.986 -6.530 1.00 0.00 C ATOM 297 O ARG A 964 3.646 6.051 -7.541 1.00 0.00 O ATOM 298 CB ARG A 964 2.788 7.934 -4.972 1.00 0.00 C ATOM 299 CG ARG A 964 4.159 8.422 -5.450 1.00 0.00 C ATOM 300 CD ARG A 964 4.765 9.335 -4.382 1.00 0.00 C ATOM 301 NE ARG A 964 4.003 10.574 -4.288 1.00 0.00 N ATOM 302 CZ ARG A 964 4.123 11.376 -3.236 1.00 0.00 C ATOM 303 NH1 ARG A 964 4.883 11.027 -2.233 1.00 0.00 N ATOM 304 NH2 ARG A 964 3.477 12.509 -3.200 1.00 0.00 N ATOM 0 H ARG A 964 0.568 6.940 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 964 1.933 7.830 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 964 2.177 8.783 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 964 2.905 7.293 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 964 4.817 7.573 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 964 4.059 8.960 -6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 964 4.768 8.827 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 964 5.803 9.556 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 964 3.367 10.830 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 964 5.384 10.139 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 964 4.976 11.643 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 964 2.879 12.780 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 964 3.570 13.124 -2.391 1.00 0.00 H new ATOM 318 N ASP A 965 2.896 4.910 -5.751 1.00 0.00 N ATOM 319 CA ASP A 965 3.678 3.715 -6.050 1.00 0.00 C ATOM 320 C ASP A 965 3.263 3.071 -7.378 1.00 0.00 C ATOM 321 O ASP A 965 4.122 2.706 -8.178 1.00 0.00 O ATOM 322 CB ASP A 965 3.527 2.701 -4.914 1.00 0.00 C ATOM 323 CG ASP A 965 4.325 1.441 -5.227 1.00 0.00 C ATOM 324 OD1 ASP A 965 5.522 1.557 -5.436 1.00 0.00 O ATOM 325 OD2 ASP A 965 3.728 0.377 -5.252 1.00 0.00 O ATOM 0 H ASP A 965 2.322 4.841 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 965 4.721 4.019 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 965 3.875 3.138 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 965 2.475 2.450 -4.778 1.00 0.00 H new ATOM 330 N TRP A 966 1.955 2.921 -7.621 1.00 0.00 N ATOM 331 CA TRP A 966 1.505 2.300 -8.873 1.00 0.00 C ATOM 332 C TRP A 966 1.516 3.312 -10.020 1.00 0.00 C ATOM 333 O TRP A 966 1.260 2.961 -11.172 1.00 0.00 O ATOM 334 CB TRP A 966 0.080 1.751 -8.743 1.00 0.00 C ATOM 335 CG TRP A 966 -0.117 1.033 -7.452 1.00 0.00 C ATOM 336 CD1 TRP A 966 -1.046 1.373 -6.531 1.00 0.00 C ATOM 337 CD2 TRP A 966 0.570 -0.138 -6.929 1.00 0.00 C ATOM 338 NE1 TRP A 966 -0.974 0.489 -5.479 1.00 0.00 N ATOM 339 CE2 TRP A 966 0.010 -0.458 -5.670 1.00 0.00 C ATOM 340 CE3 TRP A 966 1.618 -0.944 -7.412 1.00 0.00 C ATOM 341 CZ2 TRP A 966 0.465 -1.539 -4.914 1.00 0.00 C ATOM 342 CZ3 TRP A 966 2.081 -2.034 -6.654 1.00 0.00 C ATOM 343 CH2 TRP A 966 1.507 -2.329 -5.408 1.00 0.00 C ATOM 0 H TRP A 966 1.209 3.211 -6.989 1.00 0.00 H new ATOM 0 HA TRP A 966 2.197 1.484 -9.084 1.00 0.00 H new ATOM 0 HB2 TRP A 966 -0.634 2.571 -8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 966 -0.126 1.074 -9.572 1.00 0.00 H new ATOM 0 HD1 TRP A 966 -1.733 2.203 -6.608 1.00 0.00 H new ATOM 0 HE1 TRP A 966 -1.576 0.529 -4.657 1.00 0.00 H new ATOM 0 HE3 TRP A 966 2.068 -0.724 -8.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 966 0.017 -1.763 -3.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 966 2.884 -2.648 -7.033 1.00 0.00 H new ATOM 0 HH2 TRP A 966 1.870 -3.166 -4.831 1.00 0.00 H new ATOM 354 N ARG A 967 1.811 4.563 -9.700 1.00 0.00 N ATOM 355 CA ARG A 967 1.847 5.620 -10.706 1.00 0.00 C ATOM 356 C ARG A 967 0.570 5.647 -11.555 1.00 0.00 C ATOM 357 O ARG A 967 0.566 6.195 -12.658 1.00 0.00 O ATOM 358 CB ARG A 967 3.070 5.437 -11.606 1.00 0.00 C ATOM 359 CG ARG A 967 4.338 5.620 -10.770 1.00 0.00 C ATOM 360 CD ARG A 967 5.574 5.372 -11.637 1.00 0.00 C ATOM 361 NE ARG A 967 5.670 6.386 -12.684 1.00 0.00 N ATOM 362 CZ ARG A 967 6.261 7.556 -12.461 1.00 0.00 C ATOM 363 NH1 ARG A 967 6.747 7.825 -11.279 1.00 0.00 N ATOM 364 NH2 ARG A 967 6.352 8.439 -13.418 1.00 0.00 N ATOM 0 H ARG A 967 2.029 4.873 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 967 1.914 6.574 -10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 967 3.058 4.446 -12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 967 3.049 6.161 -12.421 1.00 0.00 H new ATOM 0 HG2 ARG A 967 4.369 6.628 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 967 4.330 4.930 -9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 967 6.471 5.392 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 967 5.519 4.380 -12.086 1.00 0.00 H new ATOM 0 HE ARG A 967 5.276 6.193 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 967 6.673 7.138 -10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 967 7.201 8.722 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 967 5.969 8.233 -14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 967 6.806 9.335 -13.243 1.00 0.00 H new ATOM 378 N LYS A 968 -0.521 5.083 -11.024 1.00 0.00 N ATOM 379 CA LYS A 968 -1.811 5.085 -11.731 1.00 0.00 C ATOM 380 C LYS A 968 -2.955 5.309 -10.743 1.00 0.00 C ATOM 381 O LYS A 968 -2.865 4.925 -9.579 1.00 0.00 O ATOM 382 CB LYS A 968 -2.029 3.774 -12.504 1.00 0.00 C ATOM 383 CG LYS A 968 -2.103 2.586 -11.545 1.00 0.00 C ATOM 384 CD LYS A 968 -2.418 1.317 -12.341 1.00 0.00 C ATOM 385 CE LYS A 968 -2.532 0.122 -11.392 1.00 0.00 C ATOM 386 NZ LYS A 968 -2.983 -1.076 -12.157 1.00 0.00 N ATOM 0 H LYS A 968 -0.539 4.622 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 968 -1.795 5.902 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 968 -2.950 3.837 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 968 -1.215 3.625 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 968 -1.158 2.472 -11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 968 -2.872 2.758 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 968 -3.350 1.445 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 968 -1.635 1.135 -13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 968 -1.569 -0.075 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 968 -3.239 0.344 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 968 -3.061 -1.889 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 968 -3.910 -0.884 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 968 -2.292 -1.291 -12.904 1.00 0.00 H new ATOM 400 N GLU A 969 -4.020 5.946 -11.219 1.00 0.00 N ATOM 401 CA GLU A 969 -5.176 6.241 -10.376 1.00 0.00 C ATOM 402 C GLU A 969 -5.960 4.976 -10.028 1.00 0.00 C ATOM 403 O GLU A 969 -6.153 4.097 -10.868 1.00 0.00 O ATOM 404 CB GLU A 969 -6.091 7.227 -11.106 1.00 0.00 C ATOM 405 CG GLU A 969 -7.254 7.633 -10.194 1.00 0.00 C ATOM 406 CD GLU A 969 -8.115 8.679 -10.893 1.00 0.00 C ATOM 407 OE1 GLU A 969 -7.938 8.861 -12.087 1.00 0.00 O ATOM 408 OE2 GLU A 969 -8.935 9.287 -10.226 1.00 0.00 O ATOM 0 H GLU A 969 -4.108 6.268 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 969 -4.816 6.676 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 969 -5.525 8.110 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 969 -6.475 6.772 -12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 969 -7.856 6.759 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 969 -6.870 8.032 -9.255 1.00 0.00 H new ATOM 415 N MET A 970 -6.423 4.908 -8.780 1.00 0.00 N ATOM 416 CA MET A 970 -7.207 3.769 -8.296 1.00 0.00 C ATOM 417 C MET A 970 -8.223 4.256 -7.267 1.00 0.00 C ATOM 418 O MET A 970 -8.392 5.462 -7.087 1.00 0.00 O ATOM 419 CB MET A 970 -6.283 2.725 -7.644 1.00 0.00 C ATOM 420 CG MET A 970 -5.603 3.323 -6.388 1.00 0.00 C ATOM 421 SD MET A 970 -6.197 2.489 -4.886 1.00 0.00 S ATOM 422 CE MET A 970 -5.181 0.993 -4.997 1.00 0.00 C ATOM 0 H MET A 970 -6.268 5.634 -8.080 1.00 0.00 H new ATOM 0 HA MET A 970 -7.723 3.310 -9.139 1.00 0.00 H new ATOM 0 HB2 MET A 970 -6.858 1.841 -7.369 1.00 0.00 H new ATOM 0 HB3 MET A 970 -5.525 2.403 -8.358 1.00 0.00 H new ATOM 0 HG2 MET A 970 -4.521 3.216 -6.467 1.00 0.00 H new ATOM 0 HG3 MET A 970 -5.814 4.391 -6.326 1.00 0.00 H new ATOM 0 HE1 MET A 970 -5.401 0.340 -4.152 1.00 0.00 H new ATOM 0 HE2 MET A 970 -5.404 0.470 -5.927 1.00 0.00 H new ATOM 0 HE3 MET A 970 -4.126 1.267 -4.979 1.00 0.00 H new ATOM 432 N THR A 971 -8.890 3.321 -6.590 1.00 0.00 N ATOM 433 CA THR A 971 -9.884 3.678 -5.570 1.00 0.00 C ATOM 434 C THR A 971 -9.496 3.116 -4.205 1.00 0.00 C ATOM 435 O THR A 971 -8.761 2.132 -4.108 1.00 0.00 O ATOM 436 CB THR A 971 -11.258 3.127 -5.957 1.00 0.00 C ATOM 437 OG1 THR A 971 -11.142 1.754 -6.296 1.00 0.00 O ATOM 438 CG2 THR A 971 -11.813 3.904 -7.154 1.00 0.00 C ATOM 0 H THR A 971 -8.764 2.318 -6.726 1.00 0.00 H new ATOM 0 HA THR A 971 -9.921 4.766 -5.510 1.00 0.00 H new ATOM 0 HB THR A 971 -11.937 3.237 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 971 -10.674 1.667 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 971 -12.791 3.506 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 971 -11.909 4.957 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 971 -11.134 3.802 -8.000 1.00 0.00 H new ATOM 446 N VAL A 972 -10.033 3.726 -3.156 1.00 0.00 N ATOM 447 CA VAL A 972 -9.785 3.265 -1.797 1.00 0.00 C ATOM 448 C VAL A 972 -10.301 1.838 -1.643 1.00 0.00 C ATOM 449 O VAL A 972 -9.663 0.991 -1.024 1.00 0.00 O ATOM 450 CB VAL A 972 -10.512 4.188 -0.805 1.00 0.00 C ATOM 451 CG1 VAL A 972 -10.638 3.504 0.572 1.00 0.00 C ATOM 452 CG2 VAL A 972 -9.718 5.492 -0.659 1.00 0.00 C ATOM 0 H VAL A 972 -10.643 4.541 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 972 -8.714 3.286 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 972 -11.512 4.401 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 972 -11.155 4.170 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 972 -11.204 2.578 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 972 -9.644 3.280 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 972 -10.228 6.152 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 972 -8.718 5.269 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 972 -9.643 5.983 -1.629 1.00 0.00 H new ATOM 462 N GLN A 973 -11.478 1.593 -2.195 1.00 0.00 N ATOM 463 CA GLN A 973 -12.091 0.284 -2.102 1.00 0.00 C ATOM 464 C GLN A 973 -11.116 -0.812 -2.520 1.00 0.00 C ATOM 465 O GLN A 973 -10.940 -1.804 -1.811 1.00 0.00 O ATOM 466 CB GLN A 973 -13.307 0.246 -3.023 1.00 0.00 C ATOM 467 CG GLN A 973 -14.403 1.178 -2.501 1.00 0.00 C ATOM 468 CD GLN A 973 -14.916 0.697 -1.151 1.00 0.00 C ATOM 469 OE1 GLN A 973 -15.357 -0.446 -1.022 1.00 0.00 O ATOM 470 NE2 GLN A 973 -14.885 1.507 -0.129 1.00 0.00 N ATOM 0 H GLN A 973 -12.025 2.283 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 973 -12.383 0.108 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 973 -13.017 0.544 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 973 -13.689 -0.773 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 973 -14.012 2.191 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 973 -15.225 1.218 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 973 -14.519 2.453 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 973 -15.226 1.195 0.780 1.00 0.00 H new ATOM 479 N GLN A 974 -10.486 -0.628 -3.672 1.00 0.00 N ATOM 480 CA GLN A 974 -9.527 -1.606 -4.175 1.00 0.00 C ATOM 481 C GLN A 974 -8.401 -1.821 -3.161 1.00 0.00 C ATOM 482 O GLN A 974 -7.981 -2.951 -2.924 1.00 0.00 O ATOM 483 CB GLN A 974 -8.949 -1.117 -5.514 1.00 0.00 C ATOM 484 CG GLN A 974 -9.886 -1.491 -6.674 1.00 0.00 C ATOM 485 CD GLN A 974 -11.341 -1.154 -6.343 1.00 0.00 C ATOM 486 OE1 GLN A 974 -11.890 -1.644 -5.356 1.00 0.00 O ATOM 487 NE2 GLN A 974 -12.006 -0.345 -7.121 1.00 0.00 N ATOM 0 H GLN A 974 -10.619 0.184 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 974 -10.037 -2.557 -4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 974 -8.811 -0.036 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 974 -7.966 -1.559 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 974 -9.583 -0.958 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 974 -9.797 -2.556 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 974 -11.554 0.062 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 974 -12.978 -0.120 -6.911 1.00 0.00 H new ATOM 496 N PHE A 975 -7.931 -0.735 -2.562 1.00 0.00 N ATOM 497 CA PHE A 975 -6.870 -0.827 -1.564 1.00 0.00 C ATOM 498 C PHE A 975 -7.322 -1.678 -0.381 1.00 0.00 C ATOM 499 O PHE A 975 -6.581 -2.537 0.096 1.00 0.00 O ATOM 500 CB PHE A 975 -6.469 0.577 -1.092 1.00 0.00 C ATOM 501 CG PHE A 975 -5.616 0.477 0.157 1.00 0.00 C ATOM 502 CD1 PHE A 975 -4.412 -0.236 0.128 1.00 0.00 C ATOM 503 CD2 PHE A 975 -6.047 1.085 1.343 1.00 0.00 C ATOM 504 CE1 PHE A 975 -3.632 -0.334 1.285 1.00 0.00 C ATOM 505 CE2 PHE A 975 -5.263 0.988 2.501 1.00 0.00 C ATOM 506 CZ PHE A 975 -4.057 0.280 2.471 1.00 0.00 C ATOM 0 H PHE A 975 -8.263 0.212 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 975 -6.002 -1.305 -2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 975 -5.918 1.091 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 975 -7.360 1.170 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 975 -4.086 -0.710 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 975 -6.981 1.627 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 975 -2.702 -0.883 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 975 -5.590 1.460 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 975 -3.453 0.206 3.363 1.00 0.00 H new ATOM 516 N LEU A 976 -8.538 -1.431 0.090 1.00 0.00 N ATOM 517 CA LEU A 976 -9.072 -2.183 1.218 1.00 0.00 C ATOM 518 C LEU A 976 -9.174 -3.665 0.852 1.00 0.00 C ATOM 519 O LEU A 976 -8.879 -4.537 1.666 1.00 0.00 O ATOM 520 CB LEU A 976 -10.452 -1.616 1.622 1.00 0.00 C ATOM 521 CG LEU A 976 -10.325 -0.507 2.689 1.00 0.00 C ATOM 522 CD1 LEU A 976 -10.104 -1.139 4.082 1.00 0.00 C ATOM 523 CD2 LEU A 976 -9.171 0.452 2.338 1.00 0.00 C ATOM 0 H LEU A 976 -9.168 -0.723 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 976 -8.400 -2.086 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 976 -10.953 -1.217 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 976 -11.078 -2.421 2.007 1.00 0.00 H new ATOM 0 HG LEU A 976 -11.250 0.070 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 976 -10.015 -0.351 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 976 -10.950 -1.780 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 976 -9.190 -1.733 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 976 -9.097 1.227 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 976 -8.235 -0.105 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 976 -9.364 0.914 1.370 1.00 0.00 H new ATOM 535 N ASP A 977 -9.577 -3.946 -0.378 1.00 0.00 N ATOM 536 CA ASP A 977 -9.679 -5.328 -0.824 1.00 0.00 C ATOM 537 C ASP A 977 -8.286 -5.957 -0.866 1.00 0.00 C ATOM 538 O ASP A 977 -8.093 -7.107 -0.470 1.00 0.00 O ATOM 539 CB ASP A 977 -10.304 -5.382 -2.220 1.00 0.00 C ATOM 540 CG ASP A 977 -10.711 -6.812 -2.559 1.00 0.00 C ATOM 541 OD1 ASP A 977 -10.830 -7.609 -1.643 1.00 0.00 O ATOM 542 OD2 ASP A 977 -10.897 -7.090 -3.731 1.00 0.00 O ATOM 0 H ASP A 977 -9.835 -3.248 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 977 -10.309 -5.881 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -11.175 -4.728 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -9.593 -5.013 -2.959 1.00 0.00 H new ATOM 547 N LEU A 978 -7.325 -5.183 -1.364 1.00 0.00 N ATOM 548 CA LEU A 978 -5.945 -5.648 -1.485 1.00 0.00 C ATOM 549 C LEU A 978 -5.313 -5.937 -0.124 1.00 0.00 C ATOM 550 O LEU A 978 -4.711 -6.995 0.072 1.00 0.00 O ATOM 551 CB LEU A 978 -5.129 -4.583 -2.228 1.00 0.00 C ATOM 552 CG LEU A 978 -3.642 -4.961 -2.265 1.00 0.00 C ATOM 553 CD1 LEU A 978 -3.470 -6.365 -2.855 1.00 0.00 C ATOM 554 CD2 LEU A 978 -2.903 -3.943 -3.143 1.00 0.00 C ATOM 0 H LEU A 978 -7.477 -4.229 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 978 -5.946 -6.585 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 978 -5.506 -4.474 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 978 -5.251 -3.617 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 978 -3.236 -4.954 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 978 -2.411 -6.623 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 978 -4.007 -7.087 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 978 -3.869 -6.385 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 978 -1.844 -4.196 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 978 -3.317 -3.964 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 978 -3.023 -2.945 -2.722 1.00 0.00 H new ATOM 566 N LYS A 979 -5.441 -5.006 0.815 1.00 0.00 N ATOM 567 CA LYS A 979 -4.861 -5.206 2.132 1.00 0.00 C ATOM 568 C LYS A 979 -5.614 -6.300 2.876 1.00 0.00 C ATOM 569 O LYS A 979 -5.017 -7.138 3.532 1.00 0.00 O ATOM 570 CB LYS A 979 -4.872 -3.886 2.917 1.00 0.00 C ATOM 571 CG LYS A 979 -6.261 -3.609 3.483 1.00 0.00 C ATOM 572 CD LYS A 979 -6.328 -2.167 4.001 1.00 0.00 C ATOM 573 CE LYS A 979 -5.436 -2.010 5.235 1.00 0.00 C ATOM 574 NZ LYS A 979 -5.774 -0.735 5.928 1.00 0.00 N ATOM 0 H LYS A 979 -5.933 -4.121 0.690 1.00 0.00 H new ATOM 0 HA LYS A 979 -3.825 -5.526 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 979 -4.146 -3.933 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 979 -4.569 -3.067 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 979 -7.016 -3.765 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 979 -6.481 -4.307 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 979 -6.008 -1.477 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 979 -7.357 -1.910 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 979 -5.579 -2.853 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 979 -4.386 -2.011 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 979 -5.170 -0.625 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 979 -5.617 0.064 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 979 -6.772 -0.753 6.220 1.00 0.00 H new ATOM 588 N GLU A 980 -6.930 -6.300 2.753 1.00 0.00 N ATOM 589 CA GLU A 980 -7.733 -7.311 3.422 1.00 0.00 C ATOM 590 C GLU A 980 -7.263 -8.707 3.023 1.00 0.00 C ATOM 591 O GLU A 980 -7.007 -9.558 3.880 1.00 0.00 O ATOM 592 CB GLU A 980 -9.207 -7.126 3.040 1.00 0.00 C ATOM 593 CG GLU A 980 -10.080 -8.174 3.745 1.00 0.00 C ATOM 594 CD GLU A 980 -10.047 -7.955 5.253 1.00 0.00 C ATOM 595 OE1 GLU A 980 -9.127 -8.448 5.885 1.00 0.00 O ATOM 596 OE2 GLU A 980 -10.944 -7.300 5.755 1.00 0.00 O ATOM 0 H GLU A 980 -7.460 -5.622 2.205 1.00 0.00 H new ATOM 0 HA GLU A 980 -7.621 -7.201 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 980 -9.537 -6.124 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 980 -9.323 -7.214 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 980 -11.106 -8.107 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 980 -9.722 -9.176 3.507 1.00 0.00 H new ATOM 603 N ARG A 981 -7.162 -8.943 1.721 1.00 0.00 N ATOM 604 CA ARG A 981 -6.740 -10.247 1.224 1.00 0.00 C ATOM 605 C ARG A 981 -5.308 -10.578 1.646 1.00 0.00 C ATOM 606 O ARG A 981 -5.039 -11.679 2.125 1.00 0.00 O ATOM 607 CB ARG A 981 -6.833 -10.267 -0.302 1.00 0.00 C ATOM 608 CG ARG A 981 -8.303 -10.283 -0.728 1.00 0.00 C ATOM 609 CD ARG A 981 -8.387 -10.253 -2.255 1.00 0.00 C ATOM 610 NE ARG A 981 -9.778 -10.270 -2.689 1.00 0.00 N ATOM 611 CZ ARG A 981 -10.101 -10.523 -3.953 1.00 0.00 C ATOM 612 NH1 ARG A 981 -9.166 -10.767 -4.831 1.00 0.00 N ATOM 613 NH2 ARG A 981 -11.354 -10.524 -4.319 1.00 0.00 N ATOM 0 H ARG A 981 -7.364 -8.255 0.995 1.00 0.00 H new ATOM 0 HA ARG A 981 -7.402 -10.998 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 981 -6.333 -9.392 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 981 -6.320 -11.145 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 981 -8.796 -11.176 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 981 -8.825 -9.424 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 981 -7.892 -9.359 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 981 -7.859 -11.111 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 981 -10.517 -10.084 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 981 -8.186 -10.764 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 981 -9.415 -10.961 -5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 981 -12.085 -10.331 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 981 -11.602 -10.718 -5.289 1.00 0.00 H new ATOM 627 N ALA A 982 -4.390 -9.635 1.462 1.00 0.00 N ATOM 628 CA ALA A 982 -2.996 -9.878 1.822 1.00 0.00 C ATOM 629 C ALA A 982 -2.845 -10.135 3.309 1.00 0.00 C ATOM 630 O ALA A 982 -2.237 -11.125 3.721 1.00 0.00 O ATOM 631 CB ALA A 982 -2.135 -8.676 1.446 1.00 0.00 C ATOM 0 H ALA A 982 -4.579 -8.711 1.073 1.00 0.00 H new ATOM 0 HA ALA A 982 -2.669 -10.761 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -1.098 -8.871 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -2.200 -8.504 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -2.491 -7.793 1.977 1.00 0.00 H new ATOM 637 N LEU A 983 -3.391 -9.239 4.111 1.00 0.00 N ATOM 638 CA LEU A 983 -3.291 -9.382 5.546 1.00 0.00 C ATOM 639 C LEU A 983 -4.020 -10.645 6.001 1.00 0.00 C ATOM 640 O LEU A 983 -3.712 -11.200 7.057 1.00 0.00 O ATOM 641 CB LEU A 983 -3.866 -8.142 6.257 1.00 0.00 C ATOM 642 CG LEU A 983 -2.799 -7.035 6.360 1.00 0.00 C ATOM 643 CD1 LEU A 983 -2.155 -6.763 4.996 1.00 0.00 C ATOM 644 CD2 LEU A 983 -3.459 -5.753 6.876 1.00 0.00 C ATOM 0 H LEU A 983 -3.902 -8.415 3.795 1.00 0.00 H new ATOM 0 HA LEU A 983 -2.238 -9.470 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 983 -4.732 -7.771 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 983 -4.212 -8.415 7.254 1.00 0.00 H new ATOM 0 HG LEU A 983 -2.019 -7.363 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 983 -1.406 -5.978 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 983 -1.679 -7.673 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 983 -2.921 -6.445 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 983 -2.711 -4.964 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 983 -4.243 -5.444 6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 983 -3.893 -5.937 7.859 1.00 0.00 H new ATOM 656 N SER A 984 -4.991 -11.089 5.206 1.00 0.00 N ATOM 657 CA SER A 984 -5.754 -12.284 5.550 1.00 0.00 C ATOM 658 C SER A 984 -4.959 -13.546 5.220 1.00 0.00 C ATOM 659 O SER A 984 -5.397 -14.659 5.517 1.00 0.00 O ATOM 660 CB SER A 984 -7.079 -12.297 4.786 1.00 0.00 C ATOM 661 OG SER A 984 -7.925 -11.271 5.288 1.00 0.00 O ATOM 0 H SER A 984 -5.265 -10.645 4.330 1.00 0.00 H new ATOM 0 HA SER A 984 -5.953 -12.266 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.899 -12.146 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.563 -13.268 4.893 1.00 0.00 H new ATOM 0 HG SER A 984 -7.653 -10.409 4.910 1.00 0.00 H new ATOM 667 N GLY A 985 -3.779 -13.367 4.622 1.00 0.00 N ATOM 668 CA GLY A 985 -2.914 -14.502 4.279 1.00 0.00 C ATOM 669 C GLY A 985 -3.061 -14.921 2.817 1.00 0.00 C ATOM 670 O GLY A 985 -2.832 -16.082 2.477 1.00 0.00 O ATOM 0 H GLY A 985 -3.401 -12.455 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 985 -1.875 -14.237 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 985 -3.155 -15.348 4.923 1.00 0.00 H new ATOM 674 N ALA A 986 -3.434 -13.983 1.953 1.00 0.00 N ATOM 675 CA ALA A 986 -3.590 -14.297 0.536 1.00 0.00 C ATOM 676 C ALA A 986 -2.239 -14.516 -0.121 1.00 0.00 C ATOM 677 O ALA A 986 -1.224 -13.979 0.325 1.00 0.00 O ATOM 678 CB ALA A 986 -4.307 -13.166 -0.193 1.00 0.00 C ATOM 0 H ALA A 986 -3.631 -13.014 2.202 1.00 0.00 H new ATOM 0 HA ALA A 986 -4.182 -15.210 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 986 -4.412 -13.422 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 986 -5.294 -13.019 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 986 -3.728 -12.247 -0.099 1.00 0.00 H new ATOM 684 N SER A 987 -2.233 -15.305 -1.190 1.00 0.00 N ATOM 685 CA SER A 987 -1.002 -15.588 -1.926 1.00 0.00 C ATOM 686 C SER A 987 -1.056 -14.942 -3.303 1.00 0.00 C ATOM 687 O SER A 987 -0.082 -14.966 -4.053 1.00 0.00 O ATOM 688 CB SER A 987 -0.817 -17.099 -2.075 1.00 0.00 C ATOM 689 OG SER A 987 -0.891 -17.712 -0.795 1.00 0.00 O ATOM 0 H SER A 987 -3.064 -15.760 -1.567 1.00 0.00 H new ATOM 0 HA SER A 987 -0.159 -15.176 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 987 -1.586 -17.508 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 987 0.146 -17.315 -2.539 1.00 0.00 H new ATOM 0 HG SER A 987 -0.774 -18.680 -0.889 1.00 0.00 H new ATOM 695 N ASP A 988 -2.201 -14.352 -3.624 1.00 0.00 N ATOM 696 CA ASP A 988 -2.375 -13.688 -4.912 1.00 0.00 C ATOM 697 C ASP A 988 -1.144 -12.834 -5.228 1.00 0.00 C ATOM 698 O ASP A 988 -0.489 -12.340 -4.312 1.00 0.00 O ATOM 699 CB ASP A 988 -3.623 -12.799 -4.867 1.00 0.00 C ATOM 700 CG ASP A 988 -4.880 -13.663 -4.832 1.00 0.00 C ATOM 701 OD1 ASP A 988 -4.793 -14.783 -4.359 1.00 0.00 O ATOM 702 OD2 ASP A 988 -5.912 -13.188 -5.280 1.00 0.00 O ATOM 0 H ASP A 988 -3.019 -14.319 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 988 -2.495 -14.441 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 988 -3.590 -12.156 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 988 -3.645 -12.146 -5.739 1.00 0.00 H new ATOM 707 N PRO A 989 -0.807 -12.646 -6.482 1.00 0.00 N ATOM 708 CA PRO A 989 0.386 -11.829 -6.865 1.00 0.00 C ATOM 709 C PRO A 989 0.291 -10.407 -6.316 1.00 0.00 C ATOM 710 O PRO A 989 1.294 -9.792 -5.964 1.00 0.00 O ATOM 711 CB PRO A 989 0.367 -11.849 -8.410 1.00 0.00 C ATOM 712 CG PRO A 989 -1.030 -12.240 -8.779 1.00 0.00 C ATOM 713 CD PRO A 989 -1.503 -13.170 -7.670 1.00 0.00 C ATOM 0 HA PRO A 989 1.315 -12.225 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 989 0.624 -10.872 -8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 989 1.092 -12.561 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 989 -1.674 -11.364 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 989 -1.054 -12.741 -9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 989 -2.586 -13.138 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 989 -1.235 -14.207 -7.871 1.00 0.00 H new ATOM 721 N ASP A 990 -0.926 -9.897 -6.235 1.00 0.00 N ATOM 722 CA ASP A 990 -1.144 -8.558 -5.717 1.00 0.00 C ATOM 723 C ASP A 990 -0.803 -8.494 -4.226 1.00 0.00 C ATOM 724 O ASP A 990 -0.330 -7.471 -3.733 1.00 0.00 O ATOM 725 CB ASP A 990 -2.600 -8.151 -5.937 1.00 0.00 C ATOM 726 CG ASP A 990 -2.854 -7.932 -7.424 1.00 0.00 C ATOM 727 OD1 ASP A 990 -1.888 -7.886 -8.168 1.00 0.00 O ATOM 728 OD2 ASP A 990 -4.010 -7.817 -7.798 1.00 0.00 O ATOM 0 H ASP A 990 -1.774 -10.387 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 990 -0.491 -7.867 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 990 -3.266 -8.925 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 990 -2.820 -7.239 -5.383 1.00 0.00 H new ATOM 733 N SER A 991 -1.066 -9.588 -3.509 1.00 0.00 N ATOM 734 CA SER A 991 -0.797 -9.638 -2.072 1.00 0.00 C ATOM 735 C SER A 991 0.698 -9.680 -1.776 1.00 0.00 C ATOM 736 O SER A 991 1.199 -8.882 -0.985 1.00 0.00 O ATOM 737 CB SER A 991 -1.477 -10.860 -1.453 1.00 0.00 C ATOM 738 OG SER A 991 -0.869 -11.149 -0.200 1.00 0.00 O ATOM 0 H SER A 991 -1.462 -10.445 -3.896 1.00 0.00 H new ATOM 0 HA SER A 991 -1.202 -8.727 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 991 -2.542 -10.669 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 991 -1.388 -11.717 -2.120 1.00 0.00 H new ATOM 0 HG SER A 991 -0.976 -12.102 0.003 1.00 0.00 H new ATOM 744 N GLN A 992 1.415 -10.607 -2.401 1.00 0.00 N ATOM 745 CA GLN A 992 2.849 -10.703 -2.160 1.00 0.00 C ATOM 746 C GLN A 992 3.532 -9.421 -2.635 1.00 0.00 C ATOM 747 O GLN A 992 4.443 -8.913 -1.976 1.00 0.00 O ATOM 748 CB GLN A 992 3.443 -11.939 -2.859 1.00 0.00 C ATOM 749 CG GLN A 992 2.661 -12.256 -4.138 1.00 0.00 C ATOM 750 CD GLN A 992 3.504 -13.125 -5.066 1.00 0.00 C ATOM 751 OE1 GLN A 992 4.718 -12.946 -5.152 1.00 0.00 O ATOM 752 NE2 GLN A 992 2.928 -14.064 -5.766 1.00 0.00 N ATOM 0 H GLN A 992 1.039 -11.287 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 992 3.023 -10.820 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 992 4.491 -11.760 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 992 3.413 -12.795 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 992 1.733 -12.771 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 992 2.386 -11.331 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 992 1.921 -14.210 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 992 3.485 -14.652 -6.386 1.00 0.00 H new ATOM 761 N ARG A 993 3.067 -8.878 -3.753 1.00 0.00 N ATOM 762 CA ARG A 993 3.625 -7.633 -4.261 1.00 0.00 C ATOM 763 C ARG A 993 3.329 -6.504 -3.279 1.00 0.00 C ATOM 764 O ARG A 993 4.165 -5.633 -3.046 1.00 0.00 O ATOM 765 CB ARG A 993 3.048 -7.303 -5.640 1.00 0.00 C ATOM 766 CG ARG A 993 3.659 -8.241 -6.685 1.00 0.00 C ATOM 767 CD ARG A 993 2.964 -8.033 -8.032 1.00 0.00 C ATOM 768 NE ARG A 993 3.175 -6.673 -8.513 1.00 0.00 N ATOM 769 CZ ARG A 993 2.571 -6.238 -9.613 1.00 0.00 C ATOM 770 NH1 ARG A 993 1.805 -7.045 -10.296 1.00 0.00 N ATOM 771 NH2 ARG A 993 2.753 -5.011 -10.021 1.00 0.00 N ATOM 0 H ARG A 993 2.316 -9.274 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 993 4.704 -7.747 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 993 1.963 -7.411 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 993 3.262 -6.266 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 993 4.727 -8.047 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 993 3.551 -9.277 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 993 3.350 -8.746 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 993 1.896 -8.227 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 993 3.795 -6.047 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 993 1.672 -8.007 -9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 993 1.340 -6.713 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 993 3.361 -4.383 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 993 2.288 -4.680 -10.866 1.00 0.00 H new ATOM 785 N TYR A 994 2.136 -6.539 -2.693 1.00 0.00 N ATOM 786 CA TYR A 994 1.746 -5.526 -1.719 1.00 0.00 C ATOM 787 C TYR A 994 2.677 -5.579 -0.513 1.00 0.00 C ATOM 788 O TYR A 994 3.156 -4.551 -0.027 1.00 0.00 O ATOM 789 CB TYR A 994 0.299 -5.757 -1.273 1.00 0.00 C ATOM 790 CG TYR A 994 -0.063 -4.762 -0.194 1.00 0.00 C ATOM 791 CD1 TYR A 994 -0.131 -3.396 -0.493 1.00 0.00 C ATOM 792 CD2 TYR A 994 -0.337 -5.206 1.109 1.00 0.00 C ATOM 793 CE1 TYR A 994 -0.466 -2.475 0.508 1.00 0.00 C ATOM 794 CE2 TYR A 994 -0.672 -4.285 2.107 1.00 0.00 C ATOM 795 CZ TYR A 994 -0.736 -2.920 1.808 1.00 0.00 C ATOM 796 OH TYR A 994 -1.064 -2.013 2.794 1.00 0.00 O ATOM 0 H TYR A 994 1.428 -7.251 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 994 1.820 -4.542 -2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 994 -0.376 -5.650 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 994 0.181 -6.774 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 994 0.075 -3.052 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 994 -0.289 -6.260 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 994 -0.516 -1.421 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 994 -0.881 -4.628 3.109 1.00 0.00 H new ATOM 0 HH TYR A 994 -1.222 -2.488 3.636 1.00 0.00 H new ATOM 806 N ASN A 995 2.950 -6.792 -0.042 1.00 0.00 N ATOM 807 CA ASN A 995 3.836 -6.960 1.098 1.00 0.00 C ATOM 808 C ASN A 995 5.205 -6.387 0.748 1.00 0.00 C ATOM 809 O ASN A 995 5.834 -5.704 1.561 1.00 0.00 O ATOM 810 CB ASN A 995 3.971 -8.444 1.455 1.00 0.00 C ATOM 811 CG ASN A 995 2.734 -8.917 2.212 1.00 0.00 C ATOM 812 OD1 ASN A 995 2.476 -8.458 3.326 1.00 0.00 O ATOM 813 ND2 ASN A 995 1.949 -9.810 1.675 1.00 0.00 N ATOM 0 H ASN A 995 2.576 -7.659 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 995 3.421 -6.434 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 995 4.099 -9.034 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 995 4.861 -8.600 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 995 1.121 -10.129 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 995 2.164 -10.189 0.753 1.00 0.00 H new ATOM 820 N ALA A 996 5.649 -6.646 -0.476 1.00 0.00 N ATOM 821 CA ALA A 996 6.926 -6.122 -0.919 1.00 0.00 C ATOM 822 C ALA A 996 6.865 -4.609 -0.968 1.00 0.00 C ATOM 823 O ALA A 996 7.793 -3.934 -0.557 1.00 0.00 O ATOM 824 CB ALA A 996 7.272 -6.639 -2.307 1.00 0.00 C ATOM 0 H ALA A 996 5.150 -7.207 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 996 7.690 -6.450 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 996 8.234 -6.232 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 996 7.328 -7.727 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.502 -6.329 -3.013 1.00 0.00 H new ATOM 830 N TRP A 997 5.762 -4.066 -1.464 1.00 0.00 N ATOM 831 CA TRP A 997 5.640 -2.622 -1.542 1.00 0.00 C ATOM 832 C TRP A 997 5.919 -2.030 -0.166 1.00 0.00 C ATOM 833 O TRP A 997 6.627 -1.030 -0.045 1.00 0.00 O ATOM 834 CB TRP A 997 4.242 -2.213 -2.030 1.00 0.00 C ATOM 835 CG TRP A 997 4.053 -0.738 -1.869 1.00 0.00 C ATOM 836 CD1 TRP A 997 4.707 0.217 -2.568 1.00 0.00 C ATOM 837 CD2 TRP A 997 3.151 -0.037 -0.959 1.00 0.00 C ATOM 838 NE1 TRP A 997 4.263 1.461 -2.148 1.00 0.00 N ATOM 839 CE2 TRP A 997 3.306 1.356 -1.156 1.00 0.00 C ATOM 840 CE3 TRP A 997 2.228 -0.474 0.007 1.00 0.00 C ATOM 841 CZ2 TRP A 997 2.562 2.280 -0.414 1.00 0.00 C ATOM 842 CZ3 TRP A 997 1.483 0.452 0.751 1.00 0.00 C ATOM 843 CH2 TRP A 997 1.649 1.828 0.541 1.00 0.00 C ATOM 0 H TRP A 997 4.958 -4.590 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 997 6.364 -2.239 -2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 997 4.118 -2.491 -3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 997 3.480 -2.749 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 997 5.453 0.040 -3.329 1.00 0.00 H new ATOM 0 HE1 TRP A 997 4.601 2.346 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 997 2.092 -1.532 0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 997 2.693 3.339 -0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 997 0.777 0.103 1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 997 1.072 2.537 1.116 1.00 0.00 H new ATOM 854 N LEU A 998 5.399 -2.675 0.871 1.00 0.00 N ATOM 855 CA LEU A 998 5.658 -2.211 2.225 1.00 0.00 C ATOM 856 C LEU A 998 7.154 -2.314 2.500 1.00 0.00 C ATOM 857 O LEU A 998 7.748 -1.419 3.100 1.00 0.00 O ATOM 858 CB LEU A 998 4.869 -3.036 3.248 1.00 0.00 C ATOM 859 CG LEU A 998 3.369 -2.710 3.142 1.00 0.00 C ATOM 860 CD1 LEU A 998 2.569 -3.755 3.931 1.00 0.00 C ATOM 861 CD2 LEU A 998 3.078 -1.303 3.708 1.00 0.00 C ATOM 0 H LEU A 998 4.808 -3.503 0.803 1.00 0.00 H new ATOM 0 HA LEU A 998 5.335 -1.174 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 998 5.032 -4.100 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 998 5.226 -2.820 4.255 1.00 0.00 H new ATOM 0 HG LEU A 998 3.076 -2.730 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.505 -3.529 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.758 -4.746 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.875 -3.734 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 998 2.012 -1.090 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 998 3.375 -1.264 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.642 -0.560 3.144 1.00 0.00 H new ATOM 873 N GLU A 999 7.764 -3.404 2.032 1.00 0.00 N ATOM 874 CA GLU A 999 9.202 -3.597 2.216 1.00 0.00 C ATOM 875 C GLU A 999 9.971 -2.486 1.498 1.00 0.00 C ATOM 876 O GLU A 999 10.926 -1.924 2.042 1.00 0.00 O ATOM 877 CB GLU A 999 9.621 -4.974 1.680 1.00 0.00 C ATOM 878 CG GLU A 999 11.117 -5.191 1.916 1.00 0.00 C ATOM 879 CD GLU A 999 11.527 -6.568 1.407 1.00 0.00 C ATOM 880 OE1 GLU A 999 10.726 -7.189 0.727 1.00 0.00 O ATOM 881 OE2 GLU A 999 12.638 -6.981 1.700 1.00 0.00 O ATOM 0 H GLU A 999 7.293 -4.156 1.530 1.00 0.00 H new ATOM 0 HA GLU A 999 9.436 -3.554 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 999 9.048 -5.757 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 999 9.398 -5.043 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 999 11.691 -4.419 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 999 11.343 -5.104 2.979 1.00 0.00 H new ATOM 888 N LEU A1000 9.538 -2.154 0.284 1.00 0.00 N ATOM 889 CA LEU A1000 10.184 -1.098 -0.484 1.00 0.00 C ATOM 890 C LEU A1000 10.054 0.208 0.279 1.00 0.00 C ATOM 891 O LEU A1000 10.999 0.993 0.368 1.00 0.00 O ATOM 892 CB LEU A1000 9.517 -0.937 -1.857 1.00 0.00 C ATOM 893 CG LEU A1000 9.644 -2.227 -2.682 1.00 0.00 C ATOM 894 CD1 LEU A1000 8.997 -2.021 -4.056 1.00 0.00 C ATOM 895 CD2 LEU A1000 11.123 -2.615 -2.853 1.00 0.00 C ATOM 0 H LEU A1000 8.748 -2.598 -0.184 1.00 0.00 H new ATOM 0 HA LEU A1000 11.232 -1.359 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A1000 8.464 -0.686 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A1000 9.979 -0.109 -2.395 1.00 0.00 H new ATOM 0 HG LEU A1000 9.134 -3.034 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A1000 9.087 -2.936 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A1000 7.943 -1.774 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A1000 9.500 -1.206 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A1000 11.193 -3.531 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A1000 11.652 -1.813 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A1000 11.572 -2.776 -1.873 1.00 0.00 H new ATOM 907 N ARG A1001 8.876 0.433 0.842 1.00 0.00 N ATOM 908 CA ARG A1001 8.638 1.640 1.606 1.00 0.00 C ATOM 909 C ARG A1001 9.577 1.714 2.796 1.00 0.00 C ATOM 910 O ARG A1001 10.172 2.753 3.073 1.00 0.00 O ATOM 911 CB ARG A1001 7.194 1.657 2.097 1.00 0.00 C ATOM 912 CG ARG A1001 6.984 2.879 2.979 1.00 0.00 C ATOM 913 CD ARG A1001 5.490 3.066 3.241 1.00 0.00 C ATOM 914 NE ARG A1001 5.262 4.292 3.995 1.00 0.00 N ATOM 915 CZ ARG A1001 5.357 4.319 5.320 1.00 0.00 C ATOM 916 NH1 ARG A1001 5.654 3.235 5.982 1.00 0.00 N ATOM 917 NH2 ARG A1001 5.144 5.436 5.963 1.00 0.00 N ATOM 0 H ARG A1001 8.079 -0.201 0.783 1.00 0.00 H new ATOM 0 HA ARG A1001 8.820 2.501 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A1001 6.509 1.682 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A1001 6.976 0.747 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A1001 7.517 2.756 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A1001 7.393 3.765 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A1001 4.950 3.106 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A1001 5.101 2.212 3.795 1.00 0.00 H new ATOM 0 HE ARG A1001 5.024 5.148 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A1001 5.815 2.360 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A1001 5.726 3.262 6.999 1.00 0.00 H new ATOM 0 HH21 ARG A1001 4.906 6.284 5.448 1.00 0.00 H new ATOM 0 HH22 ARG A1001 5.216 5.461 6.980 1.00 0.00 H new ATOM 931 N ALA A1002 9.705 0.603 3.490 1.00 0.00 N ATOM 932 CA ALA A1002 10.579 0.550 4.643 1.00 0.00 C ATOM 933 C ALA A1002 11.996 0.903 4.200 1.00 0.00 C ATOM 934 O ALA A1002 12.763 1.512 4.945 1.00 0.00 O ATOM 935 CB ALA A1002 10.533 -0.863 5.268 1.00 0.00 C ATOM 0 H ALA A1002 9.220 -0.269 3.279 1.00 0.00 H new ATOM 0 HA ALA A1002 10.252 1.265 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A1002 11.192 -0.899 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A1002 9.513 -1.091 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A1002 10.861 -1.597 4.532 1.00 0.00 H new