USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 998 THR OG1 : rot 115:sc= -0.438! USER MOD Set 1.2: A1018 HIS : no HD1:sc= -0.174 K(o=-0.61,f=-8.2!) USER MOD Set 2.1: A1014 MET CE :methyl -167:sc= 0 (180deg=-0.397) USER MOD Set 2.2: A1015 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 937 ASN : amide:sc= 0.519! C(o=0.62!,f=-8!) USER MOD Set 3.2: A 954 THR OG1 : rot 121:sc= 0.104 USER MOD Set 4.1: A 936 GLN : amide:sc= 2.05 K(o=3.1,f=-8.1!) USER MOD Set 4.2: A 953 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 927 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 928 THR OG1 : rot -170:sc= 0.021 USER MOD Single : A 931 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 935 TYR OH : rot 117:sc= 0.378 USER MOD Single : A 939 SER OG : rot 180:sc= 0 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= -0.257! C(o=-0.26!,f=-2!) USER MOD Single : A 960 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0304) USER MOD Single : A 963 SER OG : rot 88:sc= 1.3 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 969 CYS SG : rot 29:sc= 0.12 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc=-0.00253 X(o=-0.0025,f=-0.24) USER MOD Single : A 991 LYS NZ :NH3+ -127:sc= 0.651 (180deg=-0.103) USER MOD Single : A 995 TYR OH : rot 180:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.699 X(o=-0.7,f=-0.37) USER MOD Single : A1004 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.455) USER MOD Single : A1006 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1016 HIS :FLIP no HD1:sc= -10.8! C(o=-12!,f=-11!) USER MOD Single : A1017 THR OG1 : rot -138:sc= 0.0382 USER MOD Single : A1026 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.874) USER MOD Single : A1028 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.17) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A1033 GLN : amide:sc= -0.517 K(o=-0.52,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -0.182 -18.053 14.049 1.00 0.00 N ATOM 122 CA HIS A 927 0.051 -17.697 12.658 1.00 0.00 C ATOM 123 C HIS A 927 0.764 -16.383 12.620 1.00 0.00 C ATOM 124 O HIS A 927 0.664 -15.569 13.543 1.00 0.00 O ATOM 125 CB HIS A 927 -1.207 -17.436 11.817 1.00 0.00 C ATOM 126 CG HIS A 927 -2.440 -18.155 12.245 1.00 0.00 C ATOM 127 ND1 HIS A 927 -2.623 -19.516 12.118 1.00 0.00 N ATOM 128 CD2 HIS A 927 -3.552 -17.679 12.849 1.00 0.00 C ATOM 129 CE1 HIS A 927 -3.791 -19.844 12.629 1.00 0.00 C ATOM 130 NE2 HIS A 927 -4.371 -18.753 13.081 1.00 0.00 N ATOM 0 HA HIS A 927 0.587 -18.554 12.250 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.412 -16.366 11.829 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -0.992 -17.708 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -3.756 -16.649 13.101 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -4.204 -20.841 12.670 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -5.285 -18.713 13.532 1.00 0.00 H new ATOM 139 N THR A 928 1.506 -16.195 11.580 1.00 0.00 N ATOM 140 CA THR A 928 1.951 -14.895 11.244 1.00 0.00 C ATOM 141 C THR A 928 1.076 -14.413 10.104 1.00 0.00 C ATOM 142 O THR A 928 0.914 -15.117 9.104 1.00 0.00 O ATOM 143 CB THR A 928 3.395 -14.921 10.771 1.00 0.00 C ATOM 144 OG1 THR A 928 3.892 -16.276 10.818 1.00 0.00 O ATOM 145 CG2 THR A 928 4.268 -14.015 11.622 1.00 0.00 C ATOM 0 H THR A 928 1.816 -16.934 10.948 1.00 0.00 H new ATOM 0 HA THR A 928 1.889 -14.243 12.115 1.00 0.00 H new ATOM 0 HB THR A 928 3.430 -14.553 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.860 -16.275 10.667 1.00 0.00 H new ATOM 0 HG21 THR A 928 5.295 -14.054 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.900 -12.991 11.559 1.00 0.00 H new ATOM 0 HG23 THR A 928 4.236 -14.349 12.659 1.00 0.00 H new ATOM 153 N GLU A 929 0.446 -13.292 10.282 1.00 0.00 N ATOM 154 CA GLU A 929 -0.259 -12.643 9.217 1.00 0.00 C ATOM 155 C GLU A 929 -0.028 -11.146 9.387 1.00 0.00 C ATOM 156 O GLU A 929 -0.105 -10.608 10.491 1.00 0.00 O ATOM 157 CB GLU A 929 -1.765 -12.975 9.140 1.00 0.00 C ATOM 158 CG GLU A 929 -2.605 -12.463 10.263 1.00 0.00 C ATOM 159 CD GLU A 929 -2.312 -13.134 11.575 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.658 -14.323 11.735 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.709 -12.498 12.457 1.00 0.00 O ATOM 0 H GLU A 929 0.406 -12.799 11.174 1.00 0.00 H new ATOM 0 HA GLU A 929 0.132 -13.013 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.158 -12.574 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.876 -14.058 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.445 -11.390 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.657 -12.606 10.016 1.00 0.00 H new ATOM 168 N PHE A 930 0.308 -10.498 8.317 1.00 0.00 N ATOM 169 CA PHE A 930 0.629 -9.096 8.310 1.00 0.00 C ATOM 170 C PHE A 930 -0.208 -8.442 7.236 1.00 0.00 C ATOM 171 O PHE A 930 -0.363 -9.019 6.163 1.00 0.00 O ATOM 172 CB PHE A 930 2.134 -8.946 8.031 1.00 0.00 C ATOM 173 CG PHE A 930 2.622 -7.540 7.822 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.705 -6.647 8.876 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.009 -7.118 6.560 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.161 -5.359 8.673 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.467 -5.832 6.353 1.00 0.00 C ATOM 178 CZ PHE A 930 3.544 -4.952 7.411 1.00 0.00 C ATOM 0 H PHE A 930 0.370 -10.936 7.398 1.00 0.00 H new ATOM 0 HA PHE A 930 0.412 -8.618 9.265 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.684 -9.382 8.865 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.381 -9.532 7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.410 -6.960 9.867 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.952 -7.804 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.218 -4.670 9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 930 3.764 -5.516 5.364 1.00 0.00 H new ATOM 0 HZ PHE A 930 3.903 -3.946 7.253 1.00 0.00 H new ATOM 188 N THR A 931 -0.800 -7.304 7.515 1.00 0.00 N ATOM 189 CA THR A 931 -1.527 -6.612 6.482 1.00 0.00 C ATOM 190 C THR A 931 -0.495 -5.927 5.603 1.00 0.00 C ATOM 191 O THR A 931 0.314 -5.138 6.095 1.00 0.00 O ATOM 192 CB THR A 931 -2.522 -5.584 7.060 1.00 0.00 C ATOM 193 OG1 THR A 931 -3.376 -6.231 8.015 1.00 0.00 O ATOM 194 CG2 THR A 931 -3.383 -4.980 5.956 1.00 0.00 C ATOM 0 H THR A 931 -0.793 -6.848 8.427 1.00 0.00 H new ATOM 0 HA THR A 931 -2.127 -7.321 5.911 1.00 0.00 H new ATOM 0 HB THR A 931 -1.953 -4.787 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 931 -4.007 -5.579 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 931 -4.076 -4.259 6.389 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.744 -4.478 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.945 -5.771 5.460 1.00 0.00 H new ATOM 202 N ASP A 932 -0.528 -6.201 4.319 1.00 0.00 N ATOM 203 CA ASP A 932 0.503 -5.701 3.439 1.00 0.00 C ATOM 204 C ASP A 932 -0.142 -4.573 2.678 1.00 0.00 C ATOM 205 O ASP A 932 -1.377 -4.516 2.612 1.00 0.00 O ATOM 206 CB ASP A 932 0.998 -6.786 2.474 1.00 0.00 C ATOM 207 CG ASP A 932 2.398 -6.522 1.957 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.671 -5.446 1.396 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.265 -7.406 2.105 1.00 0.00 O ATOM 0 H ASP A 932 -1.249 -6.761 3.864 1.00 0.00 H new ATOM 0 HA ASP A 932 1.379 -5.376 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 932 0.979 -7.751 2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.312 -6.855 1.630 1.00 0.00 H new ATOM 214 N GLU A 933 0.625 -3.681 2.119 1.00 0.00 N ATOM 215 CA GLU A 933 0.044 -2.541 1.469 1.00 0.00 C ATOM 216 C GLU A 933 0.951 -2.061 0.345 1.00 0.00 C ATOM 217 O GLU A 933 2.166 -2.275 0.371 1.00 0.00 O ATOM 218 CB GLU A 933 -0.183 -1.437 2.495 1.00 0.00 C ATOM 219 CG GLU A 933 1.091 -0.757 2.968 1.00 0.00 C ATOM 220 CD GLU A 933 0.843 0.318 3.986 1.00 0.00 C ATOM 221 OE1 GLU A 933 0.544 1.452 3.588 1.00 0.00 O ATOM 222 OE2 GLU A 933 0.959 0.062 5.203 1.00 0.00 O ATOM 0 H GLU A 933 1.644 -3.719 2.100 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.916 -2.817 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.844 -0.686 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.699 -1.858 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 933 1.758 -1.506 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 933 1.605 -0.324 2.110 1.00 0.00 H new ATOM 229 N VAL A 934 0.357 -1.447 -0.645 1.00 0.00 N ATOM 230 CA VAL A 934 1.099 -0.866 -1.748 1.00 0.00 C ATOM 231 C VAL A 934 0.467 0.491 -2.025 1.00 0.00 C ATOM 232 O VAL A 934 -0.536 0.818 -1.396 1.00 0.00 O ATOM 233 CB VAL A 934 1.064 -1.808 -2.982 1.00 0.00 C ATOM 234 CG1 VAL A 934 -0.311 -1.871 -3.631 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.155 -1.502 -4.008 1.00 0.00 C ATOM 0 H VAL A 934 -0.654 -1.332 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 934 2.154 -0.737 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 934 1.281 -2.801 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 934 -0.278 -2.543 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -1.038 -2.240 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.603 -0.875 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.073 -2.197 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.037 -0.481 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.134 -1.610 -3.541 1.00 0.00 H new ATOM 245 N TYR A 935 0.977 1.244 -2.973 1.00 0.00 N ATOM 246 CA TYR A 935 0.498 2.589 -3.201 1.00 0.00 C ATOM 247 C TYR A 935 0.477 2.908 -4.683 1.00 0.00 C ATOM 248 O TYR A 935 1.524 2.909 -5.328 1.00 0.00 O ATOM 249 CB TYR A 935 1.396 3.591 -2.507 1.00 0.00 C ATOM 250 CG TYR A 935 1.231 3.726 -1.007 1.00 0.00 C ATOM 251 CD1 TYR A 935 0.142 4.400 -0.470 1.00 0.00 C ATOM 252 CD2 TYR A 935 2.199 3.253 -0.139 1.00 0.00 C ATOM 253 CE1 TYR A 935 0.029 4.602 0.890 1.00 0.00 C ATOM 254 CE2 TYR A 935 2.084 3.435 1.224 1.00 0.00 C ATOM 255 CZ TYR A 935 1.003 4.115 1.733 1.00 0.00 C ATOM 256 OH TYR A 935 0.919 4.351 3.090 1.00 0.00 O ATOM 0 H TYR A 935 1.725 0.947 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.513 2.653 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.432 3.320 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.227 4.569 -2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 935 -0.629 4.772 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 935 3.059 2.733 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 935 -0.818 5.139 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 935 2.841 3.045 1.889 1.00 0.00 H new ATOM 0 HH TYR A 935 0.830 3.499 3.565 1.00 0.00 H new ATOM 266 N GLN A 936 -0.720 3.080 -5.218 1.00 0.00 N ATOM 267 CA GLN A 936 -0.913 3.531 -6.595 1.00 0.00 C ATOM 268 C GLN A 936 -0.722 5.043 -6.682 1.00 0.00 C ATOM 269 O GLN A 936 -1.374 5.771 -5.949 1.00 0.00 O ATOM 270 CB GLN A 936 -2.335 3.193 -7.009 1.00 0.00 C ATOM 271 CG GLN A 936 -2.642 3.385 -8.479 1.00 0.00 C ATOM 272 CD GLN A 936 -4.115 3.202 -8.740 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.881 4.160 -8.763 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.537 1.969 -8.818 1.00 0.00 N ATOM 0 H GLN A 936 -1.590 2.912 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 936 -0.190 3.042 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.536 2.155 -6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -3.022 3.808 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.332 4.381 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -2.070 2.671 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.869 1.199 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.535 1.776 -8.901 1.00 0.00 H new ATOM 283 N ASN A 937 0.132 5.491 -7.588 1.00 0.00 N ATOM 284 CA ASN A 937 0.462 6.916 -7.740 1.00 0.00 C ATOM 285 C ASN A 937 0.092 7.476 -9.110 1.00 0.00 C ATOM 286 O ASN A 937 0.105 6.772 -10.124 1.00 0.00 O ATOM 287 CB ASN A 937 1.963 7.173 -7.573 1.00 0.00 C ATOM 288 CG ASN A 937 2.497 6.981 -6.180 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.576 7.920 -5.388 1.00 0.00 O ATOM 290 ND2 ASN A 937 2.870 5.771 -5.868 1.00 0.00 N ATOM 0 H ASN A 937 0.622 4.883 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 937 -0.120 7.409 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.506 6.510 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.177 8.194 -7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.243 5.576 -4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.789 5.020 -6.553 1.00 0.00 H new ATOM 297 N GLU A 938 -0.172 8.771 -9.107 1.00 0.00 N ATOM 298 CA GLU A 938 -0.383 9.593 -10.294 1.00 0.00 C ATOM 299 C GLU A 938 0.298 10.928 -10.016 1.00 0.00 C ATOM 300 O GLU A 938 0.592 11.245 -8.854 1.00 0.00 O ATOM 301 CB GLU A 938 -1.877 9.819 -10.573 1.00 0.00 C ATOM 302 CG GLU A 938 -2.615 8.595 -11.080 1.00 0.00 C ATOM 303 CD GLU A 938 -4.089 8.858 -11.273 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.860 8.692 -10.309 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.509 9.218 -12.393 1.00 0.00 O ATOM 0 H GLU A 938 -0.249 9.305 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 938 0.028 9.097 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.357 10.163 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.980 10.619 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.178 8.275 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.483 7.775 -10.374 1.00 0.00 H new ATOM 312 N SER A 939 0.555 11.690 -11.054 1.00 0.00 N ATOM 313 CA SER A 939 1.207 12.976 -10.908 1.00 0.00 C ATOM 314 C SER A 939 0.563 14.038 -11.786 1.00 0.00 C ATOM 315 O SER A 939 0.166 13.754 -12.913 1.00 0.00 O ATOM 316 CB SER A 939 2.702 12.831 -11.195 1.00 0.00 C ATOM 317 OG SER A 939 2.921 12.172 -12.436 1.00 0.00 O ATOM 0 H SER A 939 0.322 11.442 -12.015 1.00 0.00 H new ATOM 0 HA SER A 939 1.083 13.314 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.169 13.816 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.177 12.268 -10.392 1.00 0.00 H new ATOM 0 HG SER A 939 3.884 12.092 -12.599 1.00 0.00 H new ATOM 323 N ARG A 940 0.471 15.256 -11.274 1.00 0.00 N ATOM 324 CA ARG A 940 -0.143 16.360 -11.950 1.00 0.00 C ATOM 325 C ARG A 940 0.500 17.642 -11.478 1.00 0.00 C ATOM 326 O ARG A 940 1.144 17.665 -10.429 1.00 0.00 O ATOM 327 CB ARG A 940 -1.630 16.475 -11.656 1.00 0.00 C ATOM 328 CG ARG A 940 -2.015 16.636 -10.186 1.00 0.00 C ATOM 329 CD ARG A 940 -3.385 17.280 -10.139 1.00 0.00 C ATOM 330 NE ARG A 940 -4.041 17.274 -8.828 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.365 17.450 -8.667 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.120 17.782 -9.710 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.942 17.251 -7.487 1.00 0.00 N ATOM 0 H ARG A 940 0.835 15.497 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.008 16.192 -13.018 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.024 17.328 -12.209 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.126 15.586 -12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.030 15.668 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.284 17.253 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.293 18.313 -10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.032 16.769 -10.852 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.466 17.129 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.695 17.903 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.124 17.916 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -5.380 16.961 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.947 17.389 -7.381 1.00 0.00 H new ATOM 347 N TYR A 941 0.346 18.673 -12.273 1.00 0.00 N ATOM 348 CA TYR A 941 0.741 20.010 -11.865 1.00 0.00 C ATOM 349 C TYR A 941 -0.169 20.428 -10.721 1.00 0.00 C ATOM 350 O TYR A 941 -1.247 19.833 -10.545 1.00 0.00 O ATOM 351 CB TYR A 941 0.553 21.020 -12.987 1.00 0.00 C ATOM 352 CG TYR A 941 1.165 20.602 -14.305 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.544 20.634 -14.481 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.376 20.183 -15.369 1.00 0.00 C ATOM 355 CE1 TYR A 941 3.118 20.260 -15.678 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.947 19.806 -16.571 1.00 0.00 C ATOM 357 CZ TYR A 941 2.319 19.847 -16.718 1.00 0.00 C ATOM 358 OH TYR A 941 2.898 19.483 -17.919 1.00 0.00 O ATOM 0 H TYR A 941 -0.051 18.617 -13.211 1.00 0.00 H new ATOM 0 HA TYR A 941 1.794 19.990 -11.583 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.514 21.191 -13.132 1.00 0.00 H new ATOM 0 HB3 TYR A 941 0.989 21.971 -12.682 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.176 20.957 -13.667 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.698 20.151 -15.256 1.00 0.00 H new ATOM 0 HE1 TYR A 941 4.191 20.291 -15.798 1.00 0.00 H new ATOM 0 HE2 TYR A 941 0.323 19.481 -17.390 1.00 0.00 H new ATOM 0 HH TYR A 941 2.199 19.215 -18.551 1.00 0.00 H new ATOM 368 N PRO A 942 0.220 21.431 -9.931 1.00 0.00 N ATOM 369 CA PRO A 942 -0.639 21.944 -8.870 1.00 0.00 C ATOM 370 C PRO A 942 -1.936 22.512 -9.431 1.00 0.00 C ATOM 371 O PRO A 942 -1.953 23.630 -9.959 1.00 0.00 O ATOM 372 CB PRO A 942 0.183 23.061 -8.241 1.00 0.00 C ATOM 373 CG PRO A 942 1.594 22.801 -8.641 1.00 0.00 C ATOM 374 CD PRO A 942 1.520 22.127 -9.978 1.00 0.00 C ATOM 0 HA PRO A 942 -0.925 21.164 -8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.150 24.037 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.078 23.061 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.161 23.730 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.097 22.168 -7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.562 22.847 -10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.345 21.430 -10.124 1.00 0.00 H new ATOM 382 N GLY A 943 -2.997 21.720 -9.403 1.00 0.00 N ATOM 383 CA GLY A 943 -4.258 22.167 -9.939 1.00 0.00 C ATOM 384 C GLY A 943 -4.330 21.814 -11.406 1.00 0.00 C ATOM 385 O GLY A 943 -4.413 22.698 -12.258 1.00 0.00 O ATOM 0 H GLY A 943 -3.004 20.776 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -5.082 21.699 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.361 23.244 -9.807 1.00 0.00 H new ATOM 389 N GLY A 944 -4.293 20.523 -11.699 1.00 0.00 N ATOM 390 CA GLY A 944 -4.254 20.070 -13.070 1.00 0.00 C ATOM 391 C GLY A 944 -4.785 18.654 -13.215 1.00 0.00 C ATOM 392 O GLY A 944 -5.441 18.137 -12.312 1.00 0.00 O ATOM 0 H GLY A 944 -4.289 19.777 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.843 20.744 -13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -3.229 20.112 -13.437 1.00 0.00 H new ATOM 396 N ASP A 945 -4.412 18.024 -14.304 1.00 0.00 N ATOM 397 CA ASP A 945 -4.861 16.665 -14.628 1.00 0.00 C ATOM 398 C ASP A 945 -3.753 15.662 -14.343 1.00 0.00 C ATOM 399 O ASP A 945 -2.598 15.904 -14.706 1.00 0.00 O ATOM 400 CB ASP A 945 -5.319 16.575 -16.090 1.00 0.00 C ATOM 401 CG ASP A 945 -5.688 15.165 -16.516 1.00 0.00 C ATOM 402 OD1 ASP A 945 -6.729 14.638 -16.069 1.00 0.00 O ATOM 403 OD2 ASP A 945 -4.957 14.571 -17.341 1.00 0.00 O ATOM 0 H ASP A 945 -3.787 18.429 -15.001 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.715 16.423 -13.996 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -6.179 17.228 -16.235 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -4.524 16.947 -16.736 1.00 0.00 H new ATOM 408 N TRP A 946 -4.072 14.557 -13.667 1.00 0.00 N ATOM 409 CA TRP A 946 -3.079 13.570 -13.345 1.00 0.00 C ATOM 410 C TRP A 946 -2.831 12.679 -14.544 1.00 0.00 C ATOM 411 O TRP A 946 -3.740 12.372 -15.309 1.00 0.00 O ATOM 412 CB TRP A 946 -3.530 12.642 -12.222 1.00 0.00 C ATOM 413 CG TRP A 946 -4.055 13.263 -10.990 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.328 13.647 -10.727 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.309 13.496 -9.812 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.401 14.133 -9.454 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.174 14.050 -8.873 1.00 0.00 C ATOM 418 CE3 TRP A 946 -1.982 13.300 -9.472 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.751 14.412 -7.604 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.564 13.654 -8.221 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.443 14.206 -7.300 1.00 0.00 C ATOM 0 H TRP A 946 -5.012 14.337 -13.339 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.189 14.121 -13.043 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -4.301 11.983 -12.621 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.684 12.013 -11.946 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.156 13.579 -11.417 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.242 14.500 -9.009 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.289 12.875 -10.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.434 14.841 -6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.531 13.502 -7.944 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.079 14.478 -6.320 1.00 0.00 H new ATOM 432 N LYS A 947 -1.620 12.234 -14.662 1.00 0.00 N ATOM 433 CA LYS A 947 -1.229 11.224 -15.607 1.00 0.00 C ATOM 434 C LYS A 947 -0.520 10.211 -14.747 1.00 0.00 C ATOM 435 O LYS A 947 -0.006 10.612 -13.698 1.00 0.00 O ATOM 436 CB LYS A 947 -0.296 11.785 -16.691 1.00 0.00 C ATOM 437 CG LYS A 947 -0.955 12.810 -17.591 1.00 0.00 C ATOM 438 CD LYS A 947 -0.001 13.328 -18.652 1.00 0.00 C ATOM 439 CE LYS A 947 -0.677 14.352 -19.547 1.00 0.00 C ATOM 440 NZ LYS A 947 0.234 14.886 -20.592 1.00 0.00 N ATOM 0 H LYS A 947 -0.848 12.571 -14.087 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.075 10.809 -16.156 1.00 0.00 H new ATOM 0 HB2 LYS A 947 0.571 12.239 -16.212 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.073 10.961 -17.302 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -1.826 12.364 -18.072 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -1.315 13.644 -16.989 1.00 0.00 H new ATOM 0 HD2 LYS A 947 0.869 13.778 -18.174 1.00 0.00 H new ATOM 0 HD3 LYS A 947 0.361 12.496 -19.256 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -1.544 13.896 -20.025 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -1.046 15.176 -18.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -0.276 15.580 -21.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 1.049 15.346 -20.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 0.567 14.106 -21.194 1.00 0.00 H new ATOM 454 N PRO A 948 -0.513 8.922 -15.099 1.00 0.00 N ATOM 455 CA PRO A 948 0.139 7.891 -14.290 1.00 0.00 C ATOM 456 C PRO A 948 1.558 8.289 -13.910 1.00 0.00 C ATOM 457 O PRO A 948 2.282 8.894 -14.709 1.00 0.00 O ATOM 458 CB PRO A 948 0.145 6.673 -15.210 1.00 0.00 C ATOM 459 CG PRO A 948 -1.040 6.876 -16.083 1.00 0.00 C ATOM 460 CD PRO A 948 -1.127 8.359 -16.306 1.00 0.00 C ATOM 0 HA PRO A 948 -0.374 7.716 -13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.065 6.617 -15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.069 5.745 -14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.927 6.343 -17.027 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.946 6.497 -15.609 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -0.593 8.662 -17.207 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.160 8.688 -16.422 1.00 0.00 H new ATOM 468 N ALA A 949 1.929 7.982 -12.677 1.00 0.00 N ATOM 469 CA ALA A 949 3.248 8.330 -12.164 1.00 0.00 C ATOM 470 C ALA A 949 4.357 7.592 -12.923 1.00 0.00 C ATOM 471 O ALA A 949 4.087 6.764 -13.801 1.00 0.00 O ATOM 472 CB ALA A 949 3.325 8.019 -10.681 1.00 0.00 C ATOM 0 H ALA A 949 1.334 7.491 -12.010 1.00 0.00 H new ATOM 0 HA ALA A 949 3.399 9.399 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.314 8.282 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.569 8.596 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.148 6.955 -10.523 1.00 0.00 H new ATOM 478 N GLU A 950 5.590 7.808 -12.512 1.00 0.00 N ATOM 479 CA GLU A 950 6.720 7.206 -13.205 1.00 0.00 C ATOM 480 C GLU A 950 6.957 5.901 -12.564 1.00 0.00 C ATOM 481 O GLU A 950 7.207 4.881 -13.207 1.00 0.00 O ATOM 482 CB GLU A 950 7.976 8.032 -13.082 1.00 0.00 C ATOM 483 CG GLU A 950 7.768 9.386 -13.637 1.00 0.00 C ATOM 484 CD GLU A 950 9.054 10.155 -13.795 1.00 0.00 C ATOM 485 OE1 GLU A 950 9.724 10.000 -14.840 1.00 0.00 O ATOM 486 OE2 GLU A 950 9.430 10.921 -12.883 1.00 0.00 O ATOM 0 H GLU A 950 5.838 8.389 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 950 6.487 7.125 -14.267 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.269 8.104 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 950 8.794 7.540 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.277 9.305 -14.607 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.095 9.942 -12.984 1.00 0.00 H new ATOM 493 N ASP A 951 6.825 5.940 -11.273 1.00 0.00 N ATOM 494 CA ASP A 951 6.916 4.765 -10.520 1.00 0.00 C ATOM 495 C ASP A 951 5.589 4.637 -9.813 1.00 0.00 C ATOM 496 O ASP A 951 5.382 5.196 -8.740 1.00 0.00 O ATOM 497 CB ASP A 951 8.120 4.742 -9.566 1.00 0.00 C ATOM 498 CG ASP A 951 9.441 4.772 -10.314 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.777 3.779 -10.976 1.00 0.00 O ATOM 500 OD2 ASP A 951 10.157 5.798 -10.275 1.00 0.00 O ATOM 0 H ASP A 951 6.653 6.788 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 951 7.103 3.904 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 951 8.065 5.598 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 951 8.075 3.846 -8.947 1.00 0.00 H new ATOM 505 N THR A 952 4.657 3.995 -10.498 1.00 0.00 N ATOM 506 CA THR A 952 3.274 3.948 -10.070 1.00 0.00 C ATOM 507 C THR A 952 3.099 3.202 -8.747 1.00 0.00 C ATOM 508 O THR A 952 2.578 3.776 -7.795 1.00 0.00 O ATOM 509 CB THR A 952 2.389 3.339 -11.179 1.00 0.00 C ATOM 510 OG1 THR A 952 2.619 4.059 -12.405 1.00 0.00 O ATOM 511 CG2 THR A 952 0.911 3.428 -10.817 1.00 0.00 C ATOM 0 H THR A 952 4.841 3.492 -11.366 1.00 0.00 H new ATOM 0 HA THR A 952 2.952 4.974 -9.891 1.00 0.00 H new ATOM 0 HB THR A 952 2.650 2.287 -11.294 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.063 3.679 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.313 2.991 -11.617 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.730 2.884 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.631 4.473 -10.684 1.00 0.00 H new ATOM 519 N TYR A 953 3.515 1.952 -8.677 1.00 0.00 N ATOM 520 CA TYR A 953 3.388 1.204 -7.447 1.00 0.00 C ATOM 521 C TYR A 953 4.644 1.310 -6.601 1.00 0.00 C ATOM 522 O TYR A 953 5.761 1.072 -7.066 1.00 0.00 O ATOM 523 CB TYR A 953 2.938 -0.227 -7.720 1.00 0.00 C ATOM 524 CG TYR A 953 1.463 -0.237 -8.045 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.530 -0.219 -7.017 1.00 0.00 C ATOM 526 CD2 TYR A 953 0.996 -0.196 -9.354 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.822 -0.173 -7.276 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.361 -0.136 -9.622 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.264 -0.128 -8.578 1.00 0.00 C ATOM 530 OH TYR A 953 -2.614 -0.056 -8.829 1.00 0.00 O ATOM 0 H TYR A 953 3.939 1.440 -9.450 1.00 0.00 H new ATOM 0 HA TYR A 953 2.598 1.652 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.507 -0.647 -8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.134 -0.854 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.872 -0.242 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.701 -0.211 -10.172 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.531 -0.172 -6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.711 -0.096 -10.643 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.766 -0.030 -9.797 1.00 0.00 H new ATOM 540 N THR A 954 4.435 1.657 -5.344 1.00 0.00 N ATOM 541 CA THR A 954 5.503 2.027 -4.436 1.00 0.00 C ATOM 542 C THR A 954 5.156 1.663 -3.008 1.00 0.00 C ATOM 543 O THR A 954 4.064 1.157 -2.715 1.00 0.00 O ATOM 544 CB THR A 954 5.742 3.548 -4.495 1.00 0.00 C ATOM 545 OG1 THR A 954 4.483 4.212 -4.452 1.00 0.00 O ATOM 546 CG2 THR A 954 6.515 3.968 -5.741 1.00 0.00 C ATOM 0 H THR A 954 3.507 1.690 -4.921 1.00 0.00 H new ATOM 0 HA THR A 954 6.397 1.485 -4.743 1.00 0.00 H new ATOM 0 HB THR A 954 6.352 3.829 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.454 4.809 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.657 5.049 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.487 3.475 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.954 3.681 -6.631 1.00 0.00 H new ATOM 554 N ASP A 955 6.112 1.952 -2.155 1.00 0.00 N ATOM 555 CA ASP A 955 6.009 1.834 -0.714 1.00 0.00 C ATOM 556 C ASP A 955 5.721 3.242 -0.208 1.00 0.00 C ATOM 557 O ASP A 955 5.767 4.175 -1.012 1.00 0.00 O ATOM 558 CB ASP A 955 7.356 1.325 -0.170 1.00 0.00 C ATOM 559 CG ASP A 955 7.453 1.319 1.342 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.021 0.339 1.968 1.00 0.00 O ATOM 561 OD2 ASP A 955 7.951 2.313 1.921 1.00 0.00 O ATOM 0 H ASP A 955 7.025 2.291 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 955 5.231 1.140 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.524 0.313 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.156 1.947 -0.572 1.00 0.00 H new ATOM 566 N ALA A 956 5.436 3.417 1.077 1.00 0.00 N ATOM 567 CA ALA A 956 5.240 4.741 1.663 1.00 0.00 C ATOM 568 C ALA A 956 6.424 5.668 1.362 1.00 0.00 C ATOM 569 O ALA A 956 6.253 6.876 1.192 1.00 0.00 O ATOM 570 CB ALA A 956 5.029 4.627 3.167 1.00 0.00 C ATOM 0 H ALA A 956 5.334 2.650 1.741 1.00 0.00 H new ATOM 0 HA ALA A 956 4.350 5.178 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.884 5.621 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.148 4.016 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.903 4.162 3.623 1.00 0.00 H new ATOM 576 N ASN A 957 7.623 5.104 1.250 1.00 0.00 N ATOM 577 CA ASN A 957 8.798 5.915 0.946 1.00 0.00 C ATOM 578 C ASN A 957 8.946 6.149 -0.556 1.00 0.00 C ATOM 579 O ASN A 957 9.759 6.973 -0.972 1.00 0.00 O ATOM 580 CB ASN A 957 10.092 5.276 1.478 1.00 0.00 C ATOM 581 CG ASN A 957 10.677 4.188 0.586 1.00 0.00 C ATOM 582 OD1 ASN A 957 11.491 4.463 -0.296 1.00 0.00 O ATOM 583 ND2 ASN A 957 10.285 2.951 0.793 1.00 0.00 N ATOM 0 H ASN A 957 7.806 4.107 1.363 1.00 0.00 H new ATOM 0 HA ASN A 957 8.642 6.870 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.839 6.058 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 957 9.894 4.852 2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.656 2.195 0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 957 9.610 2.747 1.530 1.00 0.00 H new ATOM 590 N GLY A 958 8.128 5.484 -1.362 1.00 0.00 N ATOM 591 CA GLY A 958 8.295 5.564 -2.789 1.00 0.00 C ATOM 592 C GLY A 958 9.465 4.761 -3.242 1.00 0.00 C ATOM 593 O GLY A 958 10.380 5.283 -3.872 1.00 0.00 O ATOM 0 H GLY A 958 7.357 4.895 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.392 5.206 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.429 6.605 -3.084 1.00 0.00 H new ATOM 597 N ASP A 959 9.455 3.498 -2.917 1.00 0.00 N ATOM 598 CA ASP A 959 10.470 2.619 -3.408 1.00 0.00 C ATOM 599 C ASP A 959 9.743 1.842 -4.465 1.00 0.00 C ATOM 600 O ASP A 959 8.759 1.168 -4.140 1.00 0.00 O ATOM 601 CB ASP A 959 10.995 1.677 -2.319 1.00 0.00 C ATOM 602 CG ASP A 959 12.225 0.892 -2.755 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.115 -0.010 -3.605 1.00 0.00 O ATOM 604 OD2 ASP A 959 13.331 1.182 -2.249 1.00 0.00 O ATOM 0 H ASP A 959 8.757 3.059 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 959 11.349 3.153 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.238 2.258 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.206 0.979 -2.038 1.00 0.00 H new ATOM 609 N LYS A 960 10.091 2.103 -5.710 1.00 0.00 N ATOM 610 CA LYS A 960 9.479 1.418 -6.853 1.00 0.00 C ATOM 611 C LYS A 960 9.414 -0.088 -6.622 1.00 0.00 C ATOM 612 O LYS A 960 10.438 -0.769 -6.484 1.00 0.00 O ATOM 613 CB LYS A 960 10.249 1.704 -8.150 1.00 0.00 C ATOM 614 CG LYS A 960 9.765 0.891 -9.347 1.00 0.00 C ATOM 615 CD LYS A 960 8.323 1.205 -9.719 1.00 0.00 C ATOM 616 CE LYS A 960 7.784 0.249 -10.778 1.00 0.00 C ATOM 617 NZ LYS A 960 8.616 0.200 -12.012 1.00 0.00 N ATOM 0 H LYS A 960 10.800 2.790 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 960 8.465 1.805 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.164 2.765 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 960 11.307 1.497 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 960 10.410 1.091 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.856 -0.172 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 960 7.698 1.148 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.259 2.228 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.719 -0.753 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 960 6.770 0.548 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 8.142 -0.388 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 8.743 1.163 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 9.545 -0.210 -11.788 1.00 0.00 H new ATOM 631 N ALA A 961 8.195 -0.579 -6.555 1.00 0.00 N ATOM 632 CA ALA A 961 7.937 -1.979 -6.319 1.00 0.00 C ATOM 633 C ALA A 961 7.109 -2.549 -7.455 1.00 0.00 C ATOM 634 O ALA A 961 6.811 -1.857 -8.438 1.00 0.00 O ATOM 635 CB ALA A 961 7.218 -2.155 -4.987 1.00 0.00 C ATOM 0 H ALA A 961 7.353 -0.014 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 961 8.883 -2.519 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.026 -3.214 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.841 -1.763 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.272 -1.614 -5.010 1.00 0.00 H new ATOM 641 N ALA A 962 6.757 -3.807 -7.333 1.00 0.00 N ATOM 642 CA ALA A 962 5.914 -4.453 -8.304 1.00 0.00 C ATOM 643 C ALA A 962 4.465 -4.079 -8.024 1.00 0.00 C ATOM 644 O ALA A 962 4.141 -3.619 -6.926 1.00 0.00 O ATOM 645 CB ALA A 962 6.119 -5.958 -8.251 1.00 0.00 C ATOM 0 H ALA A 962 7.047 -4.407 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 962 6.174 -4.120 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.477 -6.439 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.161 -6.191 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.866 -6.325 -7.256 1.00 0.00 H new ATOM 651 N SER A 963 3.594 -4.256 -8.992 1.00 0.00 N ATOM 652 CA SER A 963 2.203 -3.928 -8.805 1.00 0.00 C ATOM 653 C SER A 963 1.554 -5.096 -8.051 1.00 0.00 C ATOM 654 O SER A 963 2.123 -6.177 -8.044 1.00 0.00 O ATOM 655 CB SER A 963 1.557 -3.733 -10.174 1.00 0.00 C ATOM 656 OG SER A 963 2.430 -3.039 -11.057 1.00 0.00 O ATOM 0 H SER A 963 3.826 -4.625 -9.914 1.00 0.00 H new ATOM 0 HA SER A 963 2.076 -3.009 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.300 -4.703 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 963 0.627 -3.176 -10.065 1.00 0.00 H new ATOM 0 HG SER A 963 3.010 -3.682 -11.516 1.00 0.00 H new ATOM 662 N PRO A 964 0.396 -4.901 -7.395 1.00 0.00 N ATOM 663 CA PRO A 964 -0.290 -5.951 -6.614 1.00 0.00 C ATOM 664 C PRO A 964 -0.408 -7.310 -7.316 1.00 0.00 C ATOM 665 O PRO A 964 -0.348 -8.350 -6.673 1.00 0.00 O ATOM 666 CB PRO A 964 -1.680 -5.388 -6.399 1.00 0.00 C ATOM 667 CG PRO A 964 -1.572 -3.912 -6.552 1.00 0.00 C ATOM 668 CD PRO A 964 -0.313 -3.618 -7.319 1.00 0.00 C ATOM 0 HA PRO A 964 0.279 -6.162 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.381 -5.802 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.054 -5.648 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.441 -3.519 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.546 -3.428 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.538 -3.232 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.290 -2.864 -6.813 1.00 0.00 H new ATOM 676 N SER A 965 -0.561 -7.293 -8.624 1.00 0.00 N ATOM 677 CA SER A 965 -0.675 -8.509 -9.406 1.00 0.00 C ATOM 678 C SER A 965 0.683 -9.209 -9.490 1.00 0.00 C ATOM 679 O SER A 965 0.805 -10.414 -9.243 1.00 0.00 O ATOM 680 CB SER A 965 -1.200 -8.118 -10.775 1.00 0.00 C ATOM 681 OG SER A 965 -0.621 -6.877 -11.167 1.00 0.00 O ATOM 0 H SER A 965 -0.610 -6.437 -9.176 1.00 0.00 H new ATOM 0 HA SER A 965 -1.362 -9.217 -8.943 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.958 -8.891 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 965 -2.286 -8.033 -10.749 1.00 0.00 H new ATOM 0 HG SER A 965 -0.958 -6.624 -12.052 1.00 0.00 H new ATOM 687 N GLU A 966 1.688 -8.405 -9.808 1.00 0.00 N ATOM 688 CA GLU A 966 3.079 -8.841 -9.894 1.00 0.00 C ATOM 689 C GLU A 966 3.590 -9.281 -8.516 1.00 0.00 C ATOM 690 O GLU A 966 4.428 -10.175 -8.416 1.00 0.00 O ATOM 691 CB GLU A 966 3.948 -7.684 -10.400 1.00 0.00 C ATOM 692 CG GLU A 966 3.499 -7.056 -11.712 1.00 0.00 C ATOM 693 CD GLU A 966 4.404 -5.917 -12.145 1.00 0.00 C ATOM 694 OE1 GLU A 966 4.317 -4.806 -11.573 1.00 0.00 O ATOM 695 OE2 GLU A 966 5.238 -6.108 -13.061 1.00 0.00 O ATOM 0 H GLU A 966 1.560 -7.415 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 966 3.137 -9.684 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 966 3.972 -6.908 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 966 4.970 -8.045 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 966 3.481 -7.819 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 966 2.479 -6.686 -11.605 1.00 0.00 H new ATOM 702 N LEU A 967 3.086 -8.630 -7.469 1.00 0.00 N ATOM 703 CA LEU A 967 3.433 -8.924 -6.093 1.00 0.00 C ATOM 704 C LEU A 967 3.058 -10.356 -5.724 1.00 0.00 C ATOM 705 O LEU A 967 1.879 -10.722 -5.637 1.00 0.00 O ATOM 706 CB LEU A 967 2.740 -7.880 -5.206 1.00 0.00 C ATOM 707 CG LEU A 967 3.541 -6.588 -4.999 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.692 -5.520 -4.341 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.773 -6.862 -4.149 1.00 0.00 C ATOM 0 H LEU A 967 2.412 -7.870 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 967 4.511 -8.860 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.776 -7.628 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.537 -8.326 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 967 3.853 -6.226 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.285 -4.615 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.831 -5.299 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.348 -5.876 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.332 -5.937 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.466 -7.250 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.405 -7.596 -4.650 1.00 0.00 H new ATOM 721 N THR A 968 4.077 -11.171 -5.533 1.00 0.00 N ATOM 722 CA THR A 968 3.898 -12.566 -5.232 1.00 0.00 C ATOM 723 C THR A 968 4.161 -12.878 -3.768 1.00 0.00 C ATOM 724 O THR A 968 4.733 -12.068 -3.035 1.00 0.00 O ATOM 725 CB THR A 968 4.838 -13.399 -6.116 1.00 0.00 C ATOM 726 OG1 THR A 968 6.158 -12.831 -6.071 1.00 0.00 O ATOM 727 CG2 THR A 968 4.341 -13.436 -7.552 1.00 0.00 C ATOM 0 H THR A 968 5.053 -10.877 -5.584 1.00 0.00 H new ATOM 0 HA THR A 968 2.858 -12.820 -5.436 1.00 0.00 H new ATOM 0 HB THR A 968 4.861 -14.421 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.761 -13.361 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 968 5.024 -14.032 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 968 3.347 -13.881 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 968 4.296 -12.421 -7.948 1.00 0.00 H new ATOM 735 N CYS A 969 3.718 -14.043 -3.339 1.00 0.00 N ATOM 736 CA CYS A 969 3.972 -14.515 -2.000 1.00 0.00 C ATOM 737 C CYS A 969 5.169 -15.476 -2.016 1.00 0.00 C ATOM 738 O CYS A 969 5.285 -16.310 -2.918 1.00 0.00 O ATOM 739 CB CYS A 969 2.717 -15.210 -1.463 1.00 0.00 C ATOM 740 SG CYS A 969 2.075 -16.509 -2.543 1.00 0.00 S ATOM 0 H CYS A 969 3.172 -14.686 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 969 4.212 -13.677 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.943 -15.641 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.939 -14.463 -1.309 1.00 0.00 H new ATOM 0 HG CYS A 969 3.053 -17.031 -3.223 1.00 0.00 H new ATOM 746 N PRO A 970 6.090 -15.339 -1.051 1.00 0.00 N ATOM 747 CA PRO A 970 7.254 -16.225 -0.903 1.00 0.00 C ATOM 748 C PRO A 970 6.817 -17.606 -0.396 1.00 0.00 C ATOM 749 O PRO A 970 5.640 -17.784 -0.105 1.00 0.00 O ATOM 750 CB PRO A 970 8.090 -15.489 0.151 1.00 0.00 C ATOM 751 CG PRO A 970 7.087 -14.778 0.967 1.00 0.00 C ATOM 752 CD PRO A 970 6.070 -14.308 -0.017 1.00 0.00 C ATOM 0 HA PRO A 970 7.792 -16.410 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.675 -16.184 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.794 -14.796 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.643 -15.437 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.534 -13.942 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 970 5.084 -14.216 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 970 6.326 -13.329 -0.422 1.00 0.00 H new ATOM 760 N PRO A 971 7.726 -18.597 -0.278 1.00 0.00 N ATOM 761 CA PRO A 971 7.370 -19.952 0.180 1.00 0.00 C ATOM 762 C PRO A 971 6.582 -19.979 1.491 1.00 0.00 C ATOM 763 O PRO A 971 5.577 -20.680 1.599 1.00 0.00 O ATOM 764 CB PRO A 971 8.720 -20.656 0.349 1.00 0.00 C ATOM 765 CG PRO A 971 9.748 -19.581 0.262 1.00 0.00 C ATOM 766 CD PRO A 971 9.156 -18.513 -0.605 1.00 0.00 C ATOM 0 HA PRO A 971 6.706 -20.435 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.775 -21.174 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.871 -21.406 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.990 -19.191 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 971 10.675 -19.962 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.568 -17.530 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 971 9.342 -18.699 -1.663 1.00 0.00 H new ATOM 774 N GLY A 972 7.037 -19.225 2.474 1.00 0.00 N ATOM 775 CA GLY A 972 6.351 -19.160 3.739 1.00 0.00 C ATOM 776 C GLY A 972 5.059 -18.393 3.661 1.00 0.00 C ATOM 777 O GLY A 972 4.025 -18.879 4.114 1.00 0.00 O ATOM 0 H GLY A 972 7.878 -18.651 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 972 6.147 -20.172 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 972 7.002 -18.692 4.477 1.00 0.00 H new ATOM 781 N TRP A 973 5.110 -17.186 3.129 1.00 0.00 N ATOM 782 CA TRP A 973 3.922 -16.351 3.054 1.00 0.00 C ATOM 783 C TRP A 973 2.889 -16.799 2.030 1.00 0.00 C ATOM 784 O TRP A 973 3.199 -17.248 0.935 1.00 0.00 O ATOM 785 CB TRP A 973 4.278 -14.879 2.864 1.00 0.00 C ATOM 786 CG TRP A 973 4.851 -14.237 4.083 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.157 -13.943 4.315 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.138 -13.844 5.254 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.293 -13.337 5.538 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.066 -13.270 6.137 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.804 -13.908 5.631 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.694 -12.763 7.379 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.438 -13.420 6.865 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.379 -12.853 7.728 1.00 0.00 C ATOM 0 H TRP A 973 5.954 -16.762 2.744 1.00 0.00 H new ATOM 0 HA TRP A 973 3.439 -16.476 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.994 -14.790 2.047 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.383 -14.334 2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.969 -14.155 3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.167 -12.993 5.936 1.00 0.00 H new ATOM 0 HE3 TRP A 973 2.066 -14.333 4.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.420 -12.315 8.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.404 -13.477 7.172 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.059 -12.479 8.689 1.00 0.00 H new ATOM 805 N GLU A 974 1.660 -16.599 2.416 1.00 0.00 N ATOM 806 CA GLU A 974 0.480 -16.971 1.673 1.00 0.00 C ATOM 807 C GLU A 974 -0.449 -15.762 1.704 1.00 0.00 C ATOM 808 O GLU A 974 -0.237 -14.863 2.510 1.00 0.00 O ATOM 809 CB GLU A 974 -0.125 -18.202 2.375 1.00 0.00 C ATOM 810 CG GLU A 974 -1.595 -18.472 2.134 1.00 0.00 C ATOM 811 CD GLU A 974 -1.925 -18.960 0.738 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.647 -18.257 -0.265 1.00 0.00 O ATOM 813 OE2 GLU A 974 -2.520 -20.046 0.620 1.00 0.00 O ATOM 0 H GLU A 974 1.439 -16.148 3.304 1.00 0.00 H new ATOM 0 HA GLU A 974 0.673 -17.235 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.438 -19.082 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 974 0.028 -18.090 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -1.938 -19.214 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.156 -17.557 2.327 1.00 0.00 H new ATOM 820 N TRP A 975 -1.347 -15.639 0.759 1.00 0.00 N ATOM 821 CA TRP A 975 -2.346 -14.591 0.838 1.00 0.00 C ATOM 822 C TRP A 975 -3.581 -15.079 1.587 1.00 0.00 C ATOM 823 O TRP A 975 -3.889 -16.270 1.591 1.00 0.00 O ATOM 824 CB TRP A 975 -2.707 -14.081 -0.559 1.00 0.00 C ATOM 825 CG TRP A 975 -1.528 -13.546 -1.290 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.947 -14.083 -2.389 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.772 -12.375 -0.959 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.119 -13.321 -2.769 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.256 -12.268 -1.907 1.00 0.00 C ATOM 830 CE3 TRP A 975 -0.866 -11.406 0.044 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.192 -11.236 -1.877 1.00 0.00 C ATOM 832 CZ3 TRP A 975 0.061 -10.382 0.067 1.00 0.00 C ATOM 833 CH2 TRP A 975 1.080 -10.306 -0.884 1.00 0.00 C ATOM 0 H TRP A 975 -1.412 -16.239 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.926 -13.756 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.151 -14.893 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.463 -13.300 -0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.278 -14.981 -2.890 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.720 -13.508 -3.571 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.648 -11.457 0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.979 -11.174 -2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.004 -9.626 0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.793 -9.496 -0.833 1.00 0.00 H new ATOM 844 N GLU A 976 -4.280 -14.152 2.216 1.00 0.00 N ATOM 845 CA GLU A 976 -5.501 -14.484 2.940 1.00 0.00 C ATOM 846 C GLU A 976 -6.614 -13.514 2.532 1.00 0.00 C ATOM 847 O GLU A 976 -7.796 -13.870 2.484 1.00 0.00 O ATOM 848 CB GLU A 976 -5.325 -14.474 4.466 1.00 0.00 C ATOM 849 CG GLU A 976 -6.610 -14.909 5.163 1.00 0.00 C ATOM 850 CD GLU A 976 -6.490 -15.141 6.644 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.187 -14.196 7.389 1.00 0.00 O ATOM 852 OE2 GLU A 976 -6.694 -16.289 7.086 1.00 0.00 O ATOM 0 H GLU A 976 -4.027 -13.164 2.242 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.767 -15.506 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.510 -15.141 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.047 -13.474 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.372 -14.149 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -6.965 -15.828 4.695 1.00 0.00 H new ATOM 859 N ASP A 977 -6.217 -12.277 2.254 1.00 0.00 N ATOM 860 CA ASP A 977 -7.124 -11.228 1.794 1.00 0.00 C ATOM 861 C ASP A 977 -7.539 -11.547 0.364 1.00 0.00 C ATOM 862 O ASP A 977 -6.759 -12.159 -0.375 1.00 0.00 O ATOM 863 CB ASP A 977 -6.384 -9.901 1.802 1.00 0.00 C ATOM 864 CG ASP A 977 -7.266 -8.673 1.869 1.00 0.00 C ATOM 865 OD1 ASP A 977 -8.273 -8.581 1.128 1.00 0.00 O ATOM 866 OD2 ASP A 977 -6.911 -7.763 2.647 1.00 0.00 O ATOM 0 H ASP A 977 -5.248 -11.970 2.342 1.00 0.00 H new ATOM 0 HA ASP A 977 -7.999 -11.171 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.704 -9.887 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -5.770 -9.840 0.903 1.00 0.00 H new ATOM 871 N ASP A 978 -8.721 -11.113 -0.025 1.00 0.00 N ATOM 872 CA ASP A 978 -9.275 -11.404 -1.345 1.00 0.00 C ATOM 873 C ASP A 978 -8.457 -10.740 -2.446 1.00 0.00 C ATOM 874 O ASP A 978 -8.087 -11.388 -3.433 1.00 0.00 O ATOM 875 CB ASP A 978 -10.729 -10.914 -1.455 1.00 0.00 C ATOM 876 CG ASP A 978 -11.651 -11.467 -0.387 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.652 -10.934 0.741 1.00 0.00 O ATOM 878 OD2 ASP A 978 -12.405 -12.433 -0.649 1.00 0.00 O ATOM 0 H ASP A 978 -9.332 -10.546 0.563 1.00 0.00 H new ATOM 0 HA ASP A 978 -9.242 -12.486 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.739 -9.825 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -11.120 -11.188 -2.435 1.00 0.00 H new ATOM 883 N ALA A 979 -8.150 -9.457 -2.264 1.00 0.00 N ATOM 884 CA ALA A 979 -7.484 -8.658 -3.287 1.00 0.00 C ATOM 885 C ALA A 979 -6.942 -7.388 -2.665 1.00 0.00 C ATOM 886 O ALA A 979 -7.220 -7.105 -1.509 1.00 0.00 O ATOM 887 CB ALA A 979 -8.461 -8.311 -4.405 1.00 0.00 C ATOM 0 H ALA A 979 -8.356 -8.945 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.661 -9.235 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.951 -7.715 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.836 -9.229 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.295 -7.741 -3.995 1.00 0.00 H new ATOM 893 N TRP A 980 -6.173 -6.645 -3.435 1.00 0.00 N ATOM 894 CA TRP A 980 -5.602 -5.403 -2.941 1.00 0.00 C ATOM 895 C TRP A 980 -6.611 -4.287 -3.119 1.00 0.00 C ATOM 896 O TRP A 980 -6.671 -3.621 -4.158 1.00 0.00 O ATOM 897 CB TRP A 980 -4.299 -5.023 -3.622 1.00 0.00 C ATOM 898 CG TRP A 980 -3.211 -6.055 -3.561 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.184 -7.260 -4.202 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.960 -5.946 -2.864 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.999 -7.900 -3.949 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.231 -7.119 -3.137 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.386 -4.977 -2.037 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.040 -7.347 -2.624 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.124 -5.206 -1.521 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.578 -6.381 -1.818 1.00 0.00 C ATOM 0 H TRP A 980 -5.929 -6.875 -4.398 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.368 -5.557 -1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.508 -4.802 -4.669 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.928 -4.103 -3.170 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.980 -7.652 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.733 -8.816 -4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.918 -4.066 -1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.583 -8.252 -2.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.328 -4.466 -0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.564 -6.528 -1.402 1.00 0.00 H new ATOM 917 N SER A 981 -7.449 -4.150 -2.135 1.00 0.00 N ATOM 918 CA SER A 981 -8.526 -3.182 -2.151 1.00 0.00 C ATOM 919 C SER A 981 -8.045 -1.914 -1.477 1.00 0.00 C ATOM 920 O SER A 981 -7.318 -1.987 -0.514 1.00 0.00 O ATOM 921 CB SER A 981 -9.708 -3.766 -1.386 1.00 0.00 C ATOM 922 OG SER A 981 -9.887 -5.137 -1.722 1.00 0.00 O ATOM 0 H SER A 981 -7.411 -4.711 -1.284 1.00 0.00 H new ATOM 0 HA SER A 981 -8.831 -2.954 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.540 -3.667 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.613 -3.206 -1.620 1.00 0.00 H new ATOM 0 HG SER A 981 -10.648 -5.500 -1.222 1.00 0.00 H new ATOM 928 N TYR A 982 -8.475 -0.766 -1.921 1.00 0.00 N ATOM 929 CA TYR A 982 -7.972 0.470 -1.352 1.00 0.00 C ATOM 930 C TYR A 982 -8.548 0.697 0.031 1.00 0.00 C ATOM 931 O TYR A 982 -9.737 0.477 0.288 1.00 0.00 O ATOM 932 CB TYR A 982 -8.225 1.657 -2.287 1.00 0.00 C ATOM 933 CG TYR A 982 -9.601 1.684 -2.897 1.00 0.00 C ATOM 934 CD1 TYR A 982 -9.916 0.820 -3.930 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.569 2.565 -2.455 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.163 0.830 -4.512 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.819 2.589 -3.035 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.112 1.720 -4.065 1.00 0.00 C ATOM 939 OH TYR A 982 -13.358 1.744 -4.651 1.00 0.00 O ATOM 0 H TYR A 982 -9.163 -0.652 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.891 0.382 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -8.069 2.582 -1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.486 1.637 -3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.170 0.125 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.343 3.243 -1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.395 0.144 -5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.566 3.286 -2.684 1.00 0.00 H new ATOM 0 HH TYR A 982 -13.910 2.429 -4.218 1.00 0.00 H new ATOM 949 N ASP A 983 -7.663 1.099 0.910 1.00 0.00 N ATOM 950 CA ASP A 983 -7.940 1.235 2.326 1.00 0.00 C ATOM 951 C ASP A 983 -8.606 2.554 2.642 1.00 0.00 C ATOM 952 O ASP A 983 -8.315 3.569 2.012 1.00 0.00 O ATOM 953 CB ASP A 983 -6.633 1.092 3.100 1.00 0.00 C ATOM 954 CG ASP A 983 -6.709 1.600 4.522 1.00 0.00 C ATOM 955 OD1 ASP A 983 -7.560 1.117 5.307 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.883 2.460 4.879 1.00 0.00 O ATOM 0 H ASP A 983 -6.706 1.348 0.658 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.635 0.450 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -6.343 0.041 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.848 1.633 2.572 1.00 0.00 H new ATOM 961 N ILE A 984 -9.559 2.497 3.561 1.00 0.00 N ATOM 962 CA ILE A 984 -10.251 3.674 4.051 1.00 0.00 C ATOM 963 C ILE A 984 -10.319 3.687 5.578 1.00 0.00 C ATOM 964 O ILE A 984 -10.932 4.567 6.180 1.00 0.00 O ATOM 965 CB ILE A 984 -11.673 3.797 3.430 1.00 0.00 C ATOM 966 CG1 ILE A 984 -12.464 2.471 3.436 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.582 4.326 2.017 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.971 2.010 4.787 1.00 0.00 C ATOM 0 H ILE A 984 -9.874 1.626 3.989 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.673 4.543 3.736 1.00 0.00 H new ATOM 0 HB ILE A 984 -12.221 4.495 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -13.317 2.576 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.828 1.689 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.583 4.407 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -11.111 5.309 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.986 3.644 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -13.511 1.070 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -12.127 1.863 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.640 2.764 5.201 1.00 0.00 H new ATOM 980 N ASN A 985 -9.661 2.726 6.208 1.00 0.00 N ATOM 981 CA ASN A 985 -9.721 2.579 7.664 1.00 0.00 C ATOM 982 C ASN A 985 -8.595 3.327 8.354 1.00 0.00 C ATOM 983 O ASN A 985 -8.308 3.099 9.530 1.00 0.00 O ATOM 984 CB ASN A 985 -9.689 1.102 8.066 1.00 0.00 C ATOM 985 CG ASN A 985 -10.958 0.364 7.692 1.00 0.00 C ATOM 986 OD1 ASN A 985 -11.078 -0.178 6.593 1.00 0.00 O ATOM 987 ND2 ASN A 985 -11.911 0.323 8.605 1.00 0.00 N ATOM 0 H ASN A 985 -9.078 2.033 5.739 1.00 0.00 H new ATOM 0 HA ASN A 985 -10.665 3.015 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.838 0.618 7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -9.534 1.026 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -12.783 -0.170 8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -11.776 0.784 9.505 1.00 0.00 H new ATOM 994 N ARG A 986 -8.003 4.266 7.649 1.00 0.00 N ATOM 995 CA ARG A 986 -6.888 5.051 8.148 1.00 0.00 C ATOM 996 C ARG A 986 -7.068 6.455 7.588 1.00 0.00 C ATOM 997 O ARG A 986 -8.074 6.707 6.910 1.00 0.00 O ATOM 998 CB ARG A 986 -5.503 4.484 7.745 1.00 0.00 C ATOM 999 CG ARG A 986 -5.069 3.166 8.415 1.00 0.00 C ATOM 1000 CD ARG A 986 -5.767 1.943 7.835 1.00 0.00 C ATOM 1001 NE ARG A 986 -5.337 0.684 8.442 1.00 0.00 N ATOM 1002 CZ ARG A 986 -5.685 -0.531 7.999 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -6.502 -0.672 6.960 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -5.211 -1.613 8.592 1.00 0.00 N ATOM 0 H ARG A 986 -8.284 4.511 6.700 1.00 0.00 H new ATOM 0 HA ARG A 986 -6.896 5.033 9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.499 4.333 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.750 5.241 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.991 3.048 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -5.277 3.223 9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -6.843 2.052 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -5.580 1.902 6.762 1.00 0.00 H new ATOM 0 HE ARG A 986 -4.730 0.735 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -6.874 0.152 6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -6.757 -1.604 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -4.579 -1.523 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -5.477 -2.538 8.254 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.154 7.374 7.867 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.272 8.730 7.339 1.00 0.00 C ATOM 1020 C ALA A 987 -5.892 8.804 5.859 1.00 0.00 C ATOM 1021 O ALA A 987 -4.751 9.109 5.504 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.446 9.715 8.155 1.00 0.00 C ATOM 0 H ALA A 987 -5.332 7.211 8.448 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.322 9.011 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.555 10.716 7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.794 9.714 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.397 9.422 8.126 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.859 8.487 5.016 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.734 8.511 3.564 1.00 0.00 C ATOM 1030 C VAL A 988 -8.066 8.985 2.984 1.00 0.00 C ATOM 1031 O VAL A 988 -9.084 8.940 3.690 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.400 7.104 2.997 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -4.985 6.669 3.358 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.397 6.081 3.507 1.00 0.00 C ATOM 0 H VAL A 988 -7.784 8.196 5.331 1.00 0.00 H new ATOM 0 HA VAL A 988 -5.920 9.182 3.288 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.465 7.167 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.791 5.680 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.269 7.381 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.881 6.634 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -7.151 5.100 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.356 6.045 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.401 6.363 3.191 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.055 9.513 1.756 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.294 9.914 1.048 1.00 0.00 C ATOM 1046 C ASP A 989 -10.275 8.743 0.966 1.00 0.00 C ATOM 1047 O ASP A 989 -9.932 7.607 1.298 1.00 0.00 O ATOM 1048 CB ASP A 989 -8.932 10.406 -0.370 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.073 11.011 -1.169 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.813 10.249 -1.832 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.229 12.254 -1.166 1.00 0.00 O ATOM 0 H ASP A 989 -7.202 9.677 1.222 1.00 0.00 H new ATOM 0 HA ASP A 989 -9.776 10.719 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.139 11.149 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.524 9.566 -0.933 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.485 8.983 0.487 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.487 7.943 0.368 1.00 0.00 C ATOM 1058 C GLU A 990 -12.050 6.909 -0.615 1.00 0.00 C ATOM 1059 O GLU A 990 -12.450 5.748 -0.556 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.794 8.540 -0.096 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.399 9.379 0.972 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.667 10.069 0.553 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.727 9.415 0.514 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -15.638 11.293 0.300 1.00 0.00 O ATOM 0 H GLU A 990 -11.797 9.902 0.172 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.618 7.479 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.627 9.143 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.484 7.744 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.606 8.753 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -13.674 10.130 1.286 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.312 7.356 -1.583 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.788 6.444 -2.540 1.00 0.00 C ATOM 1073 C LYS A 991 -9.390 5.963 -2.134 1.00 0.00 C ATOM 1074 O LYS A 991 -8.754 5.200 -2.859 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.805 7.129 -3.888 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.189 7.653 -4.253 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.109 8.652 -5.388 1.00 0.00 C ATOM 1078 CE LYS A 991 -11.505 9.954 -4.889 1.00 0.00 C ATOM 1079 NZ LYS A 991 -12.474 10.762 -4.112 1.00 0.00 N ATOM 0 H LYS A 991 -11.063 8.335 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.401 5.544 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.096 7.957 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.471 6.429 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.832 6.821 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.645 8.123 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.503 8.247 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -13.104 8.835 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -10.637 9.734 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -11.149 10.536 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -12.518 11.724 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -13.415 10.322 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -12.170 10.808 -3.118 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.901 6.445 -0.994 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.635 5.994 -0.436 1.00 0.00 C ATOM 1095 C GLY A 992 -6.518 6.987 -0.673 1.00 0.00 C ATOM 1096 O GLY A 992 -5.474 6.926 -0.038 1.00 0.00 O ATOM 0 H GLY A 992 -9.372 7.157 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.751 5.829 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -7.366 5.035 -0.879 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.728 7.829 -1.669 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.767 8.856 -2.068 1.00 0.00 C ATOM 1102 C TRP A 993 -5.259 9.730 -0.913 1.00 0.00 C ATOM 1103 O TRP A 993 -6.014 10.342 -0.167 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.354 9.736 -3.165 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.740 8.980 -4.400 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -7.999 8.790 -4.876 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.866 8.298 -5.310 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.962 8.051 -6.028 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.666 7.747 -6.324 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.485 8.112 -5.374 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.132 7.028 -7.387 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.957 7.392 -6.426 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.776 6.861 -7.422 1.00 0.00 C ATOM 0 H TRP A 993 -7.578 7.823 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.898 8.313 -2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.232 10.251 -2.775 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.627 10.503 -3.431 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.898 9.167 -4.412 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.775 7.772 -6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.840 8.525 -4.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.766 6.616 -8.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.890 7.237 -6.479 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.331 6.308 -8.236 1.00 0.00 H new ATOM 1124 N GLU A 994 -3.959 9.768 -0.783 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.302 10.607 0.198 1.00 0.00 C ATOM 1126 C GLU A 994 -2.810 11.873 -0.475 1.00 0.00 C ATOM 1127 O GLU A 994 -2.567 11.902 -1.702 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.068 9.972 0.821 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.202 8.551 1.294 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.965 8.093 2.046 1.00 0.00 C ATOM 1131 OE1 GLU A 994 0.055 7.724 1.420 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.988 8.099 3.296 1.00 0.00 O ATOM 0 H GLU A 994 -3.319 9.217 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.046 10.783 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.260 10.012 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -1.762 10.585 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -3.075 8.463 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.372 7.897 0.439 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.631 12.875 0.363 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.149 14.195 0.017 1.00 0.00 C ATOM 1141 C TYR A 995 -0.633 14.168 -0.051 1.00 0.00 C ATOM 1142 O TYR A 995 0.026 14.373 0.942 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.684 15.162 1.092 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.241 16.616 1.072 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -2.794 17.542 0.197 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -1.324 17.075 2.006 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -2.439 18.877 0.249 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -0.957 18.402 2.059 1.00 0.00 C ATOM 1149 CZ TYR A 995 -1.518 19.301 1.182 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.167 20.630 1.248 1.00 0.00 O ATOM 0 H TYR A 995 -2.830 12.783 1.359 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.499 14.527 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -3.772 15.150 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.415 14.751 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -3.514 17.213 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -0.889 16.378 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -2.881 19.584 -0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -0.232 18.735 2.786 1.00 0.00 H new ATOM 0 HH TYR A 995 -0.507 20.759 1.961 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.095 13.806 -1.203 1.00 0.00 N ATOM 1161 CA GLY A 996 1.340 13.754 -1.348 1.00 0.00 C ATOM 1162 C GLY A 996 1.836 14.844 -2.235 1.00 0.00 C ATOM 1163 O GLY A 996 2.071 14.662 -3.419 1.00 0.00 O ATOM 0 H GLY A 996 -0.624 13.549 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.810 13.838 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.631 12.787 -1.759 1.00 0.00 H new ATOM 1167 N ILE A 997 2.024 15.981 -1.658 1.00 0.00 N ATOM 1168 CA ILE A 997 2.425 17.132 -2.411 1.00 0.00 C ATOM 1169 C ILE A 997 3.942 17.259 -2.434 1.00 0.00 C ATOM 1170 O ILE A 997 4.618 17.111 -1.418 1.00 0.00 O ATOM 1171 CB ILE A 997 1.724 18.399 -1.857 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.503 19.673 -2.166 1.00 0.00 C ATOM 1173 CG2 ILE A 997 1.455 18.275 -0.370 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.895 20.920 -1.559 1.00 0.00 C ATOM 0 H ILE A 997 1.907 16.145 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 997 2.109 17.016 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 997 0.766 18.477 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 997 3.524 19.562 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.564 19.798 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 997 0.963 19.180 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 997 0.811 17.415 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 997 2.398 18.141 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 997 2.503 21.786 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.884 21.056 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 997 1.859 20.817 -0.475 1.00 0.00 H new ATOM 1186 N THR A 998 4.467 17.471 -3.616 1.00 0.00 N ATOM 1187 CA THR A 998 5.885 17.596 -3.828 1.00 0.00 C ATOM 1188 C THR A 998 6.098 18.840 -4.691 1.00 0.00 C ATOM 1189 O THR A 998 5.539 18.939 -5.786 1.00 0.00 O ATOM 1190 CB THR A 998 6.407 16.335 -4.547 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.779 15.182 -3.964 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.916 16.194 -4.395 1.00 0.00 C ATOM 0 H THR A 998 3.913 17.562 -4.467 1.00 0.00 H new ATOM 0 HA THR A 998 6.426 17.693 -2.887 1.00 0.00 H new ATOM 0 HB THR A 998 6.172 16.420 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.208 14.748 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 998 8.251 15.296 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 998 8.408 17.066 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 998 8.170 16.119 -3.338 1.00 0.00 H new ATOM 1200 N ILE A 999 6.866 19.789 -4.199 1.00 0.00 N ATOM 1201 CA ILE A 999 7.048 21.047 -4.911 1.00 0.00 C ATOM 1202 C ILE A 999 8.500 21.178 -5.337 1.00 0.00 C ATOM 1203 O ILE A 999 9.339 21.556 -4.530 1.00 0.00 O ATOM 1204 CB ILE A 999 6.650 22.276 -4.050 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.215 22.128 -3.529 1.00 0.00 C ATOM 1206 CG2 ILE A 999 6.788 23.564 -4.863 1.00 0.00 C ATOM 1207 CD1 ILE A 999 4.773 23.248 -2.607 1.00 0.00 C ATOM 0 H ILE A 999 7.373 19.720 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 999 6.392 21.031 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 999 7.324 22.329 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.534 22.081 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 999 5.128 21.180 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 999 6.505 24.416 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.822 23.679 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.136 23.516 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 999 3.748 23.069 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.428 23.283 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.825 24.198 -3.138 1.00 0.00 H new ATOM 1219 N PRO A1000 8.823 20.846 -6.599 1.00 0.00 N ATOM 1220 CA PRO A1000 10.207 20.860 -7.086 1.00 0.00 C ATOM 1221 C PRO A1000 10.854 22.252 -7.045 1.00 0.00 C ATOM 1222 O PRO A1000 10.240 23.248 -7.454 1.00 0.00 O ATOM 1223 CB PRO A1000 10.095 20.347 -8.527 1.00 0.00 C ATOM 1224 CG PRO A1000 8.671 20.558 -8.913 1.00 0.00 C ATOM 1225 CD PRO A1000 7.870 20.438 -7.649 1.00 0.00 C ATOM 0 HA PRO A1000 10.853 20.249 -6.455 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.767 20.891 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A1000 10.367 19.294 -8.591 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.533 21.538 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A1000 8.353 19.817 -9.647 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.992 21.083 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.514 19.420 -7.494 1.00 0.00 H new ATOM 1233 N PRO A1001 12.086 22.342 -6.506 1.00 0.00 N ATOM 1234 CA PRO A1001 12.796 21.199 -5.948 1.00 0.00 C ATOM 1235 C PRO A1001 12.321 20.853 -4.557 1.00 0.00 C ATOM 1236 O PRO A1001 12.024 21.723 -3.730 1.00 0.00 O ATOM 1237 CB PRO A1001 14.253 21.616 -5.889 1.00 0.00 C ATOM 1238 CG PRO A1001 14.302 23.028 -6.326 1.00 0.00 C ATOM 1239 CD PRO A1001 12.892 23.556 -6.409 1.00 0.00 C ATOM 0 HA PRO A1001 12.627 20.315 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.647 21.509 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.863 20.987 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A1001 14.887 23.621 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.793 23.107 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.630 24.144 -5.529 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.754 24.201 -7.277 1.00 0.00 H new ATOM 1247 N ASP A1002 12.306 19.582 -4.312 1.00 0.00 N ATOM 1248 CA ASP A1002 11.760 19.031 -3.082 1.00 0.00 C ATOM 1249 C ASP A1002 12.563 17.789 -2.730 1.00 0.00 C ATOM 1250 O ASP A1002 13.526 17.440 -3.423 1.00 0.00 O ATOM 1251 CB ASP A1002 10.270 18.672 -3.293 1.00 0.00 C ATOM 1252 CG ASP A1002 9.421 18.615 -2.023 1.00 0.00 C ATOM 1253 OD1 ASP A1002 9.725 17.837 -1.107 1.00 0.00 O ATOM 1254 OD2 ASP A1002 8.422 19.365 -1.935 1.00 0.00 O ATOM 0 H ASP A1002 12.672 18.880 -4.955 1.00 0.00 H new ATOM 0 HA ASP A1002 11.824 19.756 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A1002 9.830 19.404 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.214 17.704 -3.790 1.00 0.00 H new ATOM 1259 N HIS A1003 12.136 17.110 -1.706 1.00 0.00 N ATOM 1260 CA HIS A1003 12.799 15.925 -1.240 1.00 0.00 C ATOM 1261 C HIS A1003 11.875 14.749 -1.398 1.00 0.00 C ATOM 1262 O HIS A1003 12.140 13.842 -2.180 1.00 0.00 O ATOM 1263 CB HIS A1003 13.244 16.064 0.216 1.00 0.00 C ATOM 1264 CG HIS A1003 14.722 16.026 0.352 1.00 0.00 C ATOM 1265 ND1 HIS A1003 15.410 16.582 1.398 1.00 0.00 N ATOM 1266 CD2 HIS A1003 15.643 15.472 -0.455 1.00 0.00 C ATOM 1267 CE1 HIS A1003 16.698 16.372 1.228 1.00 0.00 C ATOM 1268 NE2 HIS A1003 16.870 15.698 0.107 1.00 0.00 N ATOM 0 H HIS A1003 11.310 17.365 -1.165 1.00 0.00 H new ATOM 0 HA HIS A1003 13.697 15.771 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS A1003 12.867 17.002 0.622 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.805 15.261 0.808 1.00 0.00 H new ATOM 0 HD2 HIS A1003 15.450 14.945 -1.378 1.00 0.00 H new ATOM 0 HE1 HIS A1003 17.483 16.697 1.895 1.00 0.00 H new ATOM 0 HE2 HIS A1003 17.766 15.396 -0.276 1.00 0.00 H new ATOM 1277 N LYS A1004 10.758 14.818 -0.707 1.00 0.00 N ATOM 1278 CA LYS A1004 9.746 13.788 -0.668 1.00 0.00 C ATOM 1279 C LYS A1004 8.536 14.557 -0.178 1.00 0.00 C ATOM 1280 O LYS A1004 8.742 15.625 0.394 1.00 0.00 O ATOM 1281 CB LYS A1004 10.067 12.680 0.365 1.00 0.00 C ATOM 1282 CG LYS A1004 11.463 12.081 0.276 1.00 0.00 C ATOM 1283 CD LYS A1004 11.692 10.973 1.290 1.00 0.00 C ATOM 1284 CE LYS A1004 10.923 9.708 0.941 1.00 0.00 C ATOM 1285 NZ LYS A1004 11.257 9.234 -0.427 1.00 0.00 N ATOM 0 H LYS A1004 10.522 15.628 -0.134 1.00 0.00 H new ATOM 0 HA LYS A1004 9.637 13.284 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A1004 9.931 13.091 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.339 11.877 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A1004 11.622 11.687 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A1004 12.202 12.867 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.757 10.746 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.390 11.319 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A1004 11.155 8.927 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A1004 9.852 9.900 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 10.882 8.273 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 10.833 9.873 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 12.290 9.223 -0.548 1.00 0.00 H new ATOM 1299 N PRO A1005 7.285 14.131 -0.394 1.00 0.00 N ATOM 1300 CA PRO A1005 6.166 14.860 0.199 1.00 0.00 C ATOM 1301 C PRO A1005 6.309 14.884 1.712 1.00 0.00 C ATOM 1302 O PRO A1005 6.364 13.839 2.358 1.00 0.00 O ATOM 1303 CB PRO A1005 4.954 14.025 -0.207 1.00 0.00 C ATOM 1304 CG PRO A1005 5.393 13.327 -1.441 1.00 0.00 C ATOM 1305 CD PRO A1005 6.852 13.022 -1.244 1.00 0.00 C ATOM 0 HA PRO A1005 6.099 15.898 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.678 13.317 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A1005 4.082 14.652 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.820 12.413 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A1005 5.240 13.953 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A1005 7.005 12.056 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A1005 7.394 12.997 -2.189 1.00 0.00 H new ATOM 1313 N LYS A1006 6.372 16.080 2.259 1.00 0.00 N ATOM 1314 CA LYS A1006 6.567 16.304 3.699 1.00 0.00 C ATOM 1315 C LYS A1006 5.405 15.824 4.533 1.00 0.00 C ATOM 1316 O LYS A1006 5.563 15.417 5.688 1.00 0.00 O ATOM 1317 CB LYS A1006 6.662 17.802 3.934 1.00 0.00 C ATOM 1318 CG LYS A1006 7.595 18.515 2.988 1.00 0.00 C ATOM 1319 CD LYS A1006 7.317 20.000 2.997 1.00 0.00 C ATOM 1320 CE LYS A1006 8.078 20.743 1.917 1.00 0.00 C ATOM 1321 NZ LYS A1006 7.507 22.097 1.723 1.00 0.00 N ATOM 0 H LYS A1006 6.290 16.942 1.720 1.00 0.00 H new ATOM 0 HA LYS A1006 7.463 15.755 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A1006 5.667 18.237 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A1006 6.994 17.978 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A1006 8.629 18.330 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A1006 7.472 18.121 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A1006 6.248 20.166 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A1006 7.584 20.410 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A1006 9.130 20.821 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.033 20.185 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 8.038 22.595 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 6.510 22.016 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 7.572 22.632 2.613 1.00 0.00 H new ATOM 1335 N SER A1007 4.258 15.858 3.926 1.00 0.00 N ATOM 1336 CA SER A1007 3.032 15.732 4.642 1.00 0.00 C ATOM 1337 C SER A1007 2.031 14.980 3.791 1.00 0.00 C ATOM 1338 O SER A1007 1.998 15.158 2.577 1.00 0.00 O ATOM 1339 CB SER A1007 2.558 17.155 4.984 1.00 0.00 C ATOM 1340 OG SER A1007 1.265 17.185 5.579 1.00 0.00 O ATOM 0 H SER A1007 4.149 15.974 2.919 1.00 0.00 H new ATOM 0 HA SER A1007 3.152 15.165 5.565 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.275 17.617 5.663 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.547 17.756 4.075 1.00 0.00 H new ATOM 0 HG SER A1007 1.017 18.112 5.776 1.00 0.00 H new ATOM 1346 N TRP A1008 1.277 14.123 4.456 1.00 0.00 N ATOM 1347 CA TRP A1008 0.205 13.342 3.862 1.00 0.00 C ATOM 1348 C TRP A1008 -1.045 13.598 4.678 1.00 0.00 C ATOM 1349 O TRP A1008 -0.991 13.669 5.911 1.00 0.00 O ATOM 1350 CB TRP A1008 0.536 11.849 3.855 1.00 0.00 C ATOM 1351 CG TRP A1008 1.820 11.550 3.180 1.00 0.00 C ATOM 1352 CD1 TRP A1008 3.054 11.597 3.729 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.988 11.161 1.820 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.984 11.282 2.792 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.359 10.997 1.605 1.00 0.00 C ATOM 1356 CE3 TRP A1008 1.107 10.938 0.765 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.874 10.617 0.366 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.610 10.560 -0.457 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.979 10.401 -0.652 1.00 0.00 C ATOM 0 H TRP A1008 1.397 13.946 5.453 1.00 0.00 H new ATOM 0 HA TRP A1008 0.063 13.639 2.823 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.577 11.486 4.882 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.267 11.306 3.356 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.268 11.847 4.758 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.992 11.261 2.947 1.00 0.00 H new ATOM 0 HE3 TRP A1008 0.043 11.060 0.905 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.936 10.497 0.213 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.932 10.384 -1.279 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.344 10.102 -1.623 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.162 13.751 4.003 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.427 14.075 4.638 1.00 0.00 C ATOM 1372 C VAL A1009 -4.484 13.241 3.919 1.00 0.00 C ATOM 1373 O VAL A1009 -4.207 12.707 2.845 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.767 15.610 4.572 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -5.025 15.957 5.364 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.616 16.459 5.092 1.00 0.00 C ATOM 0 H VAL A1009 -2.222 13.654 2.989 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.385 13.844 5.702 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.940 15.832 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -5.219 17.027 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.873 15.405 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.882 15.687 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.885 17.513 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.410 16.196 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.727 16.277 4.488 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.667 13.155 4.477 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.695 12.246 3.991 1.00 0.00 C ATOM 1388 C ALA A1010 -7.653 12.886 2.978 1.00 0.00 C ATOM 1389 O ALA A1010 -8.779 12.420 2.824 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.490 11.735 5.179 1.00 0.00 C ATOM 0 H ALA A1010 -5.952 13.711 5.283 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.187 11.436 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.265 11.052 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -6.824 11.210 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -7.953 12.576 5.696 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.240 13.923 2.283 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.126 14.541 1.309 1.00 0.00 C ATOM 1398 C ALA A1011 -7.391 14.843 0.019 1.00 0.00 C ATOM 1399 O ALA A1011 -6.236 15.279 0.047 1.00 0.00 O ATOM 1400 CB ALA A1011 -8.731 15.814 1.880 1.00 0.00 C ATOM 0 H ALA A1011 -6.318 14.352 2.367 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.928 13.837 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -9.392 16.266 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -9.301 15.575 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -7.935 16.514 2.131 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.031 14.564 -1.108 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.464 14.892 -2.401 1.00 0.00 C ATOM 1408 C GLU A1012 -7.974 16.278 -2.819 1.00 0.00 C ATOM 1409 O GLU A1012 -9.165 16.573 -2.718 1.00 0.00 O ATOM 1410 CB GLU A1012 -7.808 13.792 -3.415 1.00 0.00 C ATOM 1411 CG GLU A1012 -6.664 13.446 -4.361 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.400 14.485 -5.418 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -5.711 15.480 -5.135 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -6.852 14.292 -6.556 1.00 0.00 O ATOM 0 H GLU A1012 -8.944 14.111 -1.149 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.376 14.938 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.105 12.893 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -8.669 14.109 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -5.756 13.300 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -6.885 12.496 -4.848 1.00 0.00 H new ATOM 1421 N LYS A1013 -7.052 17.125 -3.263 1.00 0.00 N ATOM 1422 CA LYS A1013 -7.312 18.539 -3.540 1.00 0.00 C ATOM 1423 C LYS A1013 -6.340 19.007 -4.610 1.00 0.00 C ATOM 1424 O LYS A1013 -5.389 18.304 -4.935 1.00 0.00 O ATOM 1425 CB LYS A1013 -7.060 19.419 -2.306 1.00 0.00 C ATOM 1426 CG LYS A1013 -7.882 19.106 -1.070 1.00 0.00 C ATOM 1427 CD LYS A1013 -7.499 20.051 0.050 1.00 0.00 C ATOM 1428 CE LYS A1013 -8.231 19.746 1.338 1.00 0.00 C ATOM 1429 NZ LYS A1013 -7.809 20.668 2.412 1.00 0.00 N ATOM 0 H LYS A1013 -6.087 16.848 -3.444 1.00 0.00 H new ATOM 0 HA LYS A1013 -8.354 18.629 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -6.005 19.342 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -7.244 20.457 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -8.944 19.203 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -7.714 18.074 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -6.425 19.989 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -7.714 21.076 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -9.306 19.832 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -8.035 18.717 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -8.324 20.441 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -6.787 20.566 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -8.019 21.647 2.131 1.00 0.00 H new ATOM 1443 N MET A1014 -6.471 20.251 -5.036 1.00 0.00 N ATOM 1444 CA MET A1014 -5.626 20.807 -6.092 1.00 0.00 C ATOM 1445 C MET A1014 -4.292 21.284 -5.530 1.00 0.00 C ATOM 1446 O MET A1014 -3.474 21.875 -6.227 1.00 0.00 O ATOM 1447 CB MET A1014 -6.332 21.932 -6.842 1.00 0.00 C ATOM 1448 CG MET A1014 -6.747 23.138 -6.006 1.00 0.00 C ATOM 1449 SD MET A1014 -7.966 22.751 -4.734 1.00 0.00 S ATOM 1450 CE MET A1014 -8.341 24.394 -4.140 1.00 0.00 C ATOM 0 H MET A1014 -7.160 20.905 -4.666 1.00 0.00 H new ATOM 0 HA MET A1014 -5.429 20.008 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A1014 -5.675 22.277 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A1014 -7.223 21.521 -7.318 1.00 0.00 H new ATOM 0 HG2 MET A1014 -5.862 23.563 -5.532 1.00 0.00 H new ATOM 0 HG3 MET A1014 -7.154 23.904 -6.666 1.00 0.00 H new ATOM 0 HE1 MET A1014 -8.898 24.325 -3.205 1.00 0.00 H new ATOM 0 HE2 MET A1014 -7.413 24.940 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A1014 -8.941 24.921 -4.882 1.00 0.00 H new ATOM 1460 N TYR A1015 -4.086 20.998 -4.259 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.831 21.298 -3.580 1.00 0.00 C ATOM 1462 C TYR A1015 -1.918 20.090 -3.712 1.00 0.00 C ATOM 1463 O TYR A1015 -0.874 19.987 -3.090 1.00 0.00 O ATOM 1464 CB TYR A1015 -3.078 21.653 -2.111 1.00 0.00 C ATOM 1465 CG TYR A1015 -3.883 22.919 -1.954 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -3.276 24.159 -2.082 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -5.251 22.877 -1.713 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -4.008 25.321 -1.980 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -5.985 24.037 -1.601 1.00 0.00 C ATOM 1470 CZ TYR A1015 -5.358 25.256 -1.740 1.00 0.00 C ATOM 1471 OH TYR A1015 -6.090 26.413 -1.660 1.00 0.00 O ATOM 0 H TYR A1015 -4.782 20.550 -3.663 1.00 0.00 H new ATOM 0 HA TYR A1015 -2.356 22.165 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -3.601 20.830 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -2.121 21.768 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -2.213 24.214 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -5.745 21.922 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -3.522 26.279 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -7.046 23.991 -1.405 1.00 0.00 H new ATOM 0 HH TYR A1015 -7.029 26.194 -1.487 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.375 19.155 -4.516 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.633 17.979 -4.842 1.00 0.00 C ATOM 1483 C HIS A1016 -0.735 18.195 -6.041 1.00 0.00 C ATOM 1484 O HIS A1016 -0.835 19.181 -6.764 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.582 16.850 -5.143 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.132 16.166 -3.952 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.056 14.885 -3.628 1.00 0.00 N flip ATOM 1488 CD2 HIS A1016 -3.898 16.763 -2.987 1.00 0.00 C flip ATOM 1489 CE1 HIS A1016 -3.777 14.693 -2.488 1.00 0.00 C flip ATOM 1490 NE2 HIS A1016 -4.275 15.850 -2.119 1.00 0.00 N flip ATOM 0 H HIS A1016 -3.290 19.201 -4.964 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.007 17.736 -3.983 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.410 17.239 -5.736 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.065 16.115 -5.760 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -4.151 17.812 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -3.915 13.752 -1.977 1.00 0.00 H new ATOM 0 HE2 HIS A1016 -4.857 16.013 -1.297 1.00 0.00 H new ATOM 1499 N THR A1017 0.060 17.189 -6.249 1.00 0.00 N ATOM 1500 CA THR A1017 1.053 17.085 -7.303 1.00 0.00 C ATOM 1501 C THR A1017 1.320 15.602 -7.491 1.00 0.00 C ATOM 1502 O THR A1017 1.538 15.101 -8.581 1.00 0.00 O ATOM 1503 CB THR A1017 2.346 17.833 -6.920 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.447 17.909 -5.486 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.378 19.235 -7.514 1.00 0.00 C ATOM 0 H THR A1017 0.040 16.360 -5.655 1.00 0.00 H new ATOM 0 HA THR A1017 0.695 17.541 -8.226 1.00 0.00 H new ATOM 0 HB THR A1017 3.193 17.280 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.757 18.802 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.303 19.732 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.326 19.171 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.527 19.807 -7.144 1.00 0.00 H new ATOM 1513 N HIS A1018 1.282 14.905 -6.376 1.00 0.00 N ATOM 1514 CA HIS A1018 1.312 13.458 -6.332 1.00 0.00 C ATOM 1515 C HIS A1018 0.197 13.019 -5.398 1.00 0.00 C ATOM 1516 O HIS A1018 -0.246 13.796 -4.542 1.00 0.00 O ATOM 1517 CB HIS A1018 2.660 12.917 -5.821 1.00 0.00 C ATOM 1518 CG HIS A1018 3.831 13.279 -6.673 1.00 0.00 C ATOM 1519 ND1 HIS A1018 5.005 13.803 -6.184 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.005 13.161 -8.002 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.846 13.984 -7.181 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.262 13.603 -8.294 1.00 0.00 N ATOM 0 H HIS A1018 1.228 15.338 -5.454 1.00 0.00 H new ATOM 0 HA HIS A1018 1.179 13.063 -7.339 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.830 13.293 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.599 11.831 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.281 12.785 -8.709 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.848 14.379 -7.098 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.680 13.633 -9.224 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.341 11.851 -5.613 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.314 11.285 -4.707 1.00 0.00 C ATOM 1533 C ARG A1019 -1.134 9.807 -4.780 1.00 0.00 C ATOM 1534 O ARG A1019 -0.722 9.303 -5.831 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.762 11.616 -5.088 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.223 11.010 -6.406 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.702 11.240 -6.608 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.195 10.700 -7.878 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.378 10.987 -8.446 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.153 11.973 -7.995 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.735 10.331 -9.535 1.00 0.00 N ATOM 0 H ARG A1019 -0.122 11.263 -6.417 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.152 11.698 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.422 11.269 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.871 12.699 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.665 11.452 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.011 9.941 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.251 10.781 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.907 12.310 -6.570 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.586 10.049 -8.374 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -6.853 12.534 -7.198 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.046 12.167 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.117 9.622 -9.929 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.629 10.533 -9.982 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.382 9.114 -3.703 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.276 7.667 -3.792 1.00 0.00 C ATOM 1557 C ARG A1020 -2.186 7.012 -2.823 1.00 0.00 C ATOM 1558 O ARG A1020 -2.482 7.555 -1.789 1.00 0.00 O ATOM 1559 CB ARG A1020 0.149 7.201 -3.530 1.00 0.00 C ATOM 1560 CG ARG A1020 0.660 7.648 -2.174 1.00 0.00 C ATOM 1561 CD ARG A1020 1.988 7.026 -1.834 1.00 0.00 C ATOM 1562 NE ARG A1020 3.054 7.398 -2.751 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.328 7.480 -2.391 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.656 7.355 -1.101 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.257 7.716 -3.312 1.00 0.00 N ATOM 0 H ARG A1020 -1.646 9.493 -2.794 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.561 7.385 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.190 6.113 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.805 7.589 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.756 8.734 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.069 7.385 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.270 7.320 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.883 5.941 -1.833 1.00 0.00 H new ATOM 0 HE ARG A1020 2.810 7.606 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.929 7.198 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.633 7.417 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.988 7.833 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.238 7.780 -3.042 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.607 5.835 -3.148 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.524 5.158 -2.281 1.00 0.00 C ATOM 1581 C ARG A1021 -3.049 3.776 -1.945 1.00 0.00 C ATOM 1582 O ARG A1021 -2.484 3.075 -2.789 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.905 5.123 -2.891 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.965 4.511 -4.274 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.382 4.476 -4.759 1.00 0.00 C ATOM 1586 NE ARG A1021 -6.423 4.252 -6.184 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.499 3.787 -6.837 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.577 3.406 -6.162 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -7.496 3.713 -8.159 1.00 0.00 N ATOM 0 H ARG A1021 -2.340 5.326 -3.991 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.575 5.719 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.566 4.562 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.292 6.141 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -4.350 5.090 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.555 3.501 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.929 3.686 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.878 5.416 -4.518 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.585 4.459 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.589 3.466 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -9.393 3.053 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.674 4.010 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -8.316 3.359 -8.652 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.303 3.404 -0.714 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.940 2.125 -0.202 1.00 0.00 C ATOM 1605 C ARG A1022 -3.920 1.075 -0.673 1.00 0.00 C ATOM 1606 O ARG A1022 -5.128 1.215 -0.477 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.965 2.185 1.313 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.910 0.829 1.982 1.00 0.00 C ATOM 1609 CD ARG A1022 -3.090 0.982 3.467 1.00 0.00 C ATOM 1610 NE ARG A1022 -2.024 1.773 4.015 1.00 0.00 N ATOM 1611 CZ ARG A1022 -2.126 2.580 5.062 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -3.313 2.941 5.542 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -1.023 3.077 5.591 1.00 0.00 N ATOM 0 H ARG A1022 -3.777 4.000 -0.035 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.944 1.862 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -2.121 2.783 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.872 2.700 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.689 0.183 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.955 0.348 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -4.049 1.455 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -3.107 0.001 3.942 1.00 0.00 H new ATOM 0 HE ARG A1022 -1.113 1.709 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -4.167 2.596 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -3.369 3.563 6.349 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -0.114 2.838 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -1.080 3.700 6.397 1.00 0.00 H new ATOM 1627 N LEU A1023 -3.416 0.061 -1.325 1.00 0.00 N ATOM 1628 CA LEU A1023 -4.223 -1.098 -1.587 1.00 0.00 C ATOM 1629 C LEU A1023 -3.728 -2.120 -0.591 1.00 0.00 C ATOM 1630 O LEU A1023 -2.520 -2.312 -0.445 1.00 0.00 O ATOM 1631 CB LEU A1023 -4.088 -1.639 -3.013 1.00 0.00 C ATOM 1632 CG LEU A1023 -4.090 -0.606 -4.149 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.907 -1.294 -5.491 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.383 0.197 -4.155 1.00 0.00 C ATOM 0 H LEU A1023 -2.461 0.014 -1.681 1.00 0.00 H new ATOM 0 HA LEU A1023 -5.281 -0.857 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -3.161 -2.209 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.904 -2.339 -3.189 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.258 0.078 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.911 -0.548 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.957 -1.828 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.722 -2.000 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.358 0.921 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.229 -0.476 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.490 0.722 -3.206 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.640 -2.713 0.115 1.00 0.00 N ATOM 1647 CA VAL A1024 -4.306 -3.602 1.207 1.00 0.00 C ATOM 1648 C VAL A1024 -4.534 -5.029 0.834 1.00 0.00 C ATOM 1649 O VAL A1024 -5.547 -5.376 0.220 1.00 0.00 O ATOM 1650 CB VAL A1024 -5.088 -3.319 2.522 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.663 -2.013 3.140 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.593 -3.321 2.306 1.00 0.00 C ATOM 0 H VAL A1024 -5.641 -2.600 -0.042 1.00 0.00 H new ATOM 0 HA VAL A1024 -3.250 -3.411 1.397 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.845 -4.131 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -5.227 -1.844 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.598 -2.049 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.855 -1.200 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -7.097 -3.119 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.858 -2.550 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.905 -4.295 1.929 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.566 -5.836 1.149 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.711 -7.262 0.998 1.00 0.00 C ATOM 1664 C ARG A1025 -3.162 -7.918 2.245 1.00 0.00 C ATOM 1665 O ARG A1025 -1.954 -7.963 2.436 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.930 -7.763 -0.207 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.204 -9.206 -0.587 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.498 -9.354 -1.357 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.736 -10.737 -1.785 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.191 -11.283 -2.879 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.344 -10.588 -3.619 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -4.493 -12.514 -3.242 1.00 0.00 N ATOM 0 H ARG A1025 -2.662 -5.535 1.514 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.763 -7.506 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.160 -7.127 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.865 -7.651 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.378 -9.585 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.247 -9.816 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.329 -9.020 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.474 -8.704 -2.232 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.353 -11.316 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.104 -9.632 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -2.931 -11.008 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.149 -13.063 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.070 -12.917 -4.078 1.00 0.00 H new ATOM 1686 N LYS A1026 -4.029 -8.379 3.114 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.587 -9.061 4.312 1.00 0.00 C ATOM 1688 C LYS A1026 -3.020 -10.406 3.871 1.00 0.00 C ATOM 1689 O LYS A1026 -3.601 -11.099 3.019 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.755 -9.231 5.297 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.387 -9.209 6.781 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.617 -10.429 7.240 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.430 -11.701 7.080 1.00 0.00 C ATOM 1694 NZ LYS A1026 -5.706 -11.667 7.834 1.00 0.00 N ATOM 0 H LYS A1026 -5.041 -8.296 3.017 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.823 -8.486 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -5.480 -8.439 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.253 -10.176 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.793 -8.318 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -5.300 -9.125 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -2.694 -10.513 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.333 -10.308 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -4.642 -11.860 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -3.837 -12.551 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.043 -12.638 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.555 -11.202 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.416 -11.137 7.290 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.921 -10.797 4.456 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.226 -11.971 4.012 1.00 0.00 C ATOM 1710 C ARG A1027 -0.951 -12.775 5.233 1.00 0.00 C ATOM 1711 O ARG A1027 -0.724 -12.218 6.283 1.00 0.00 O ATOM 1712 CB ARG A1027 0.065 -11.615 3.255 1.00 0.00 C ATOM 1713 CG ARG A1027 1.133 -10.899 4.065 1.00 0.00 C ATOM 1714 CD ARG A1027 2.227 -10.334 3.170 1.00 0.00 C ATOM 1715 NE ARG A1027 2.910 -11.324 2.355 1.00 0.00 N ATOM 1716 CZ ARG A1027 3.861 -10.998 1.477 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.214 -9.733 1.287 1.00 0.00 N ATOM 1718 NH2 ARG A1027 4.430 -11.927 0.753 1.00 0.00 N ATOM 0 H ARG A1027 -1.487 -10.317 5.244 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.827 -12.538 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.494 -12.534 2.856 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.198 -10.989 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.677 -10.091 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.571 -11.591 4.784 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.790 -9.581 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.962 -9.825 3.793 1.00 0.00 H new ATOM 0 HE ARG A1027 2.653 -12.306 2.458 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.756 -8.991 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A1027 4.943 -9.503 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A1027 4.147 -12.901 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A1027 5.157 -11.677 0.082 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.026 -14.049 5.117 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.871 -14.914 6.230 1.00 0.00 C ATOM 1734 C LYS A1028 0.079 -16.022 5.860 1.00 0.00 C ATOM 1735 O LYS A1028 -0.040 -16.594 4.813 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.242 -15.435 6.623 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.190 -16.680 7.454 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.550 -17.069 7.935 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.095 -16.099 8.958 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.441 -16.512 9.398 1.00 0.00 N ATOM 0 H LYS A1028 -1.199 -14.529 4.234 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.447 -14.392 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -2.772 -14.660 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.819 -15.634 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.763 -17.494 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.531 -16.523 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.232 -17.120 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.507 -18.067 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.424 -16.052 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.137 -15.097 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -5.908 -15.717 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.005 -16.796 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.361 -17.315 10.054 1.00 0.00 H new ATOM 1754 N LYS A1029 1.008 -16.312 6.731 1.00 0.00 N ATOM 1755 CA LYS A1029 2.022 -17.329 6.482 1.00 0.00 C ATOM 1756 C LYS A1029 1.429 -18.677 6.853 1.00 0.00 C ATOM 1757 O LYS A1029 1.891 -19.746 6.444 1.00 0.00 O ATOM 1758 CB LYS A1029 3.226 -17.039 7.385 1.00 0.00 C ATOM 1759 CG LYS A1029 4.470 -17.849 7.083 1.00 0.00 C ATOM 1760 CD LYS A1029 5.607 -17.520 8.042 1.00 0.00 C ATOM 1761 CE LYS A1029 5.864 -16.026 8.092 1.00 0.00 C ATOM 1762 NZ LYS A1029 7.006 -15.665 8.961 1.00 0.00 N ATOM 0 H LYS A1029 1.092 -15.854 7.639 1.00 0.00 H new ATOM 0 HA LYS A1029 2.335 -17.328 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.473 -15.980 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.936 -17.221 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A1029 4.236 -18.912 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.790 -17.655 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.362 -17.884 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.513 -18.038 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A1029 6.053 -15.661 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.967 -15.520 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.133 -14.633 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.818 -15.986 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.870 -16.122 8.606 1.00 0.00 H new ATOM 1776 N ASP A1030 0.417 -18.562 7.702 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.319 -19.646 8.394 1.00 0.00 C ATOM 1778 C ASP A1030 0.554 -20.406 9.383 1.00 0.00 C ATOM 1779 O ASP A1030 0.097 -20.844 10.439 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.042 -20.596 7.437 1.00 0.00 C ATOM 1781 CG ASP A1030 -1.939 -21.562 8.188 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -2.933 -21.119 8.802 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -1.658 -22.776 8.199 1.00 0.00 O ATOM 0 H ASP A1030 0.050 -17.644 7.954 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.095 -19.141 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.638 -20.019 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.310 -21.155 6.855 1.00 0.00 H new ATOM 1788 N LEU A1031 1.797 -20.489 8.980 1.00 0.00 N ATOM 1789 CA LEU A1031 2.948 -21.042 9.683 1.00 0.00 C ATOM 1790 C LEU A1031 3.047 -22.529 9.411 1.00 0.00 C ATOM 1791 O LEU A1031 3.876 -23.238 9.974 1.00 0.00 O ATOM 1792 CB LEU A1031 2.899 -20.746 11.181 1.00 0.00 C ATOM 1793 CG LEU A1031 4.187 -20.997 11.966 1.00 0.00 C ATOM 1794 CD1 LEU A1031 5.300 -20.073 11.490 1.00 0.00 C ATOM 1795 CD2 LEU A1031 3.937 -20.826 13.453 1.00 0.00 C ATOM 0 H LEU A1031 2.064 -20.138 8.060 1.00 0.00 H new ATOM 0 HA LEU A1031 3.847 -20.556 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A1031 2.616 -19.702 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A1031 2.106 -21.350 11.623 1.00 0.00 H new ATOM 0 HG LEU A1031 4.508 -22.023 11.787 1.00 0.00 H new ATOM 0 HD11 LEU A1031 6.206 -20.270 12.063 1.00 0.00 H new ATOM 0 HD12 LEU A1031 5.493 -20.251 10.432 1.00 0.00 H new ATOM 0 HD13 LEU A1031 4.998 -19.036 11.634 1.00 0.00 H new ATOM 0 HD21 LEU A1031 4.862 -21.007 14.001 1.00 0.00 H new ATOM 0 HD22 LEU A1031 3.592 -19.811 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A1031 3.177 -21.537 13.778 1.00 0.00 H new ATOM 1807 N THR A1032 2.248 -22.983 8.473 1.00 0.00 N ATOM 1808 CA THR A1032 2.216 -24.380 8.139 1.00 0.00 C ATOM 1809 C THR A1032 2.774 -24.515 6.739 1.00 0.00 C ATOM 1810 O THR A1032 3.082 -25.605 6.248 1.00 0.00 O ATOM 1811 CB THR A1032 0.765 -24.875 8.179 1.00 0.00 C ATOM 1812 OG1 THR A1032 0.110 -24.323 9.330 1.00 0.00 O ATOM 1813 CG2 THR A1032 0.716 -26.381 8.260 1.00 0.00 C ATOM 0 H THR A1032 1.612 -22.400 7.929 1.00 0.00 H new ATOM 0 HA THR A1032 2.802 -24.971 8.843 1.00 0.00 H new ATOM 0 HB THR A1032 0.262 -24.555 7.266 1.00 0.00 H new ATOM 0 HG1 THR A1032 -0.733 -23.903 9.057 1.00 0.00 H new ATOM 0 HG21 THR A1032 -0.323 -26.710 8.287 1.00 0.00 H new ATOM 0 HG22 THR A1032 1.209 -26.809 7.387 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.226 -26.714 9.164 1.00 0.00 H new ATOM 1821 N GLN A1033 2.959 -23.357 6.131 1.00 0.00 N ATOM 1822 CA GLN A1033 3.377 -23.289 4.756 1.00 0.00 C ATOM 1823 C GLN A1033 4.891 -23.339 4.680 1.00 0.00 C ATOM 1824 O GLN A1033 5.469 -23.959 3.793 1.00 0.00 O ATOM 1825 CB GLN A1033 2.834 -22.031 4.095 1.00 0.00 C ATOM 1826 CG GLN A1033 2.872 -22.157 2.602 1.00 0.00 C ATOM 1827 CD GLN A1033 2.127 -21.066 1.868 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.929 -21.186 1.605 1.00 0.00 O ATOM 1829 NE2 GLN A1033 2.830 -20.035 1.481 1.00 0.00 N ATOM 0 H GLN A1033 2.824 -22.450 6.577 1.00 0.00 H new ATOM 0 HA GLN A1033 2.975 -24.146 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.810 -21.855 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.422 -21.168 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.912 -22.155 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.451 -23.122 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A1033 3.820 -19.974 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A1033 2.389 -19.291 0.940 1.00 0.00 H new