USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 789 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 747 TYR OH : rot 30:sc= 0.13 USER MOD Set 1.2: A 755 SER OG : rot 151:sc= 0.143 USER MOD Set 2.1: A 735 LYS NZ :NH3+ 148:sc= 0.467 (180deg=0.0644) USER MOD Set 2.2: A 746 TYR OH : rot 180:sc= 0.00187 USER MOD Set 3.1: A 690 HIS : no HD1:sc= -0.719 K(o=0.39,f=-2.4!) USER MOD Set 3.2: A 694 THR OG1 : rot -137:sc= 1.11 USER MOD Single : A 668 TYR OH : rot 180:sc= 0.462 USER MOD Single : A 669 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 671 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.709 K(o=-0.71,f=-0.15) USER MOD Single : A 678 MET CE :methyl -137:sc= -1.12 (180deg=-3.26!) USER MOD Single : A 681 GLN : amide:sc= -0.0911 K(o=-0.091,f=-2.5!) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 683 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 685 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.61) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 SER OG : rot 180:sc= 0 USER MOD Single : A 692 SER OG : rot 180:sc= 0 USER MOD Single : A 695 TYR OH : rot 155:sc= 0.415 USER MOD Single : A 710 SER OG : rot -90:sc= -0.192 USER MOD Single : A 712 LYS NZ :NH3+ -157:sc= -0.568 (180deg=-0.58) USER MOD Single : A 714 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 718 LYS NZ :NH3+ -136:sc= -1.28 (180deg=-4.69!) USER MOD Single : A 719 HIS : no HD1:sc=-0.00201 X(o=-0.002,f=-0.047) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 730 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=-0.044) USER MOD Single : A 732 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 736 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 749 CYS SG : rot 180:sc= 0 USER MOD Single : A 750 HIS : no HD1:sc= -0.0824 X(o=-0.082,f=-0.0066) USER MOD Single : A 751 SER OG : rot 150:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 170:sc= 0.197 (180deg=0.169) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.35) USER MOD Single : A 761 THR OG1 : rot 138:sc= -0.216 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 764 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 TYR OH : rot 180:sc= 0 USER MOD Single : A 767 TYR OH : rot 12:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 133 N ASP A 667 0.314 14.103 1.021 1.00 0.00 N ATOM 134 CA ASP A 667 -1.037 13.728 0.620 1.00 0.00 C ATOM 135 C ASP A 667 -0.999 12.525 -0.317 1.00 0.00 C ATOM 136 O ASP A 667 -1.037 12.673 -1.540 1.00 0.00 O ATOM 137 CB ASP A 667 -1.749 14.901 -0.063 1.00 0.00 C ATOM 138 CG ASP A 667 -2.538 15.751 0.915 1.00 0.00 C ATOM 139 OD1 ASP A 667 -3.656 15.340 1.290 1.00 0.00 O ATOM 140 OD2 ASP A 667 -2.034 16.825 1.304 1.00 0.00 O ATOM 0 HA ASP A 667 -1.594 13.461 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -1.012 15.525 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -2.421 14.517 -0.830 1.00 0.00 H new ATOM 145 N TYR A 668 -0.923 11.331 0.266 1.00 0.00 N ATOM 146 CA TYR A 668 -0.879 10.096 -0.514 1.00 0.00 C ATOM 147 C TYR A 668 -2.114 9.970 -1.404 1.00 0.00 C ATOM 148 O TYR A 668 -2.060 9.357 -2.468 1.00 0.00 O ATOM 149 CB TYR A 668 -0.774 8.885 0.411 1.00 0.00 C ATOM 150 CG TYR A 668 0.298 9.026 1.472 1.00 0.00 C ATOM 151 CD1 TYR A 668 1.557 9.524 1.154 1.00 0.00 C ATOM 152 CD2 TYR A 668 0.046 8.668 2.788 1.00 0.00 C ATOM 153 CE1 TYR A 668 2.535 9.658 2.121 1.00 0.00 C ATOM 154 CE2 TYR A 668 1.019 8.799 3.760 1.00 0.00 C ATOM 155 CZ TYR A 668 2.261 9.293 3.420 1.00 0.00 C ATOM 156 OH TYR A 668 3.232 9.424 4.386 1.00 0.00 O ATOM 0 H TYR A 668 -0.891 11.192 1.276 1.00 0.00 H new ATOM 0 HA TYR A 668 0.004 10.131 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 668 -1.736 8.725 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 668 -0.567 7.998 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 668 1.774 9.810 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 668 -0.926 8.281 3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 668 3.508 10.047 1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 668 0.808 8.516 4.781 1.00 0.00 H new ATOM 0 HH TYR A 668 2.878 9.124 5.249 1.00 0.00 H new ATOM 166 N THR A 669 -3.224 10.568 -0.960 1.00 0.00 N ATOM 167 CA THR A 669 -4.475 10.539 -1.717 1.00 0.00 C ATOM 168 C THR A 669 -4.292 11.157 -3.106 1.00 0.00 C ATOM 169 O THR A 669 -4.938 10.744 -4.068 1.00 0.00 O ATOM 170 CB THR A 669 -5.573 11.290 -0.958 1.00 0.00 C ATOM 171 OG1 THR A 669 -5.020 12.336 -0.178 1.00 0.00 O ATOM 172 CG2 THR A 669 -6.377 10.404 -0.031 1.00 0.00 C ATOM 0 H THR A 669 -3.279 11.078 -0.079 1.00 0.00 H new ATOM 0 HA THR A 669 -4.769 9.496 -1.838 1.00 0.00 H new ATOM 0 HB THR A 669 -6.238 11.680 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 669 -5.738 12.804 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 669 -7.137 11.000 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 669 -6.860 9.616 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 669 -5.715 9.957 0.710 1.00 0.00 H new ATOM 180 N ALA A 670 -3.409 12.152 -3.198 1.00 0.00 N ATOM 181 CA ALA A 670 -3.137 12.831 -4.461 1.00 0.00 C ATOM 182 C ALA A 670 -2.464 11.901 -5.473 1.00 0.00 C ATOM 183 O ALA A 670 -2.598 12.091 -6.683 1.00 0.00 O ATOM 184 CB ALA A 670 -2.276 14.061 -4.216 1.00 0.00 C ATOM 0 H ALA A 670 -2.869 12.505 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 670 -4.092 13.139 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -2.078 14.561 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -2.800 14.744 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -1.332 13.760 -3.761 1.00 0.00 H new ATOM 190 N TYR A 671 -1.741 10.897 -4.975 1.00 0.00 N ATOM 191 CA TYR A 671 -1.049 9.943 -5.843 1.00 0.00 C ATOM 192 C TYR A 671 -2.042 9.162 -6.704 1.00 0.00 C ATOM 193 O TYR A 671 -3.200 8.977 -6.322 1.00 0.00 O ATOM 194 CB TYR A 671 -0.206 8.973 -5.008 1.00 0.00 C ATOM 195 CG TYR A 671 1.065 9.584 -4.456 1.00 0.00 C ATOM 196 CD1 TYR A 671 1.028 10.484 -3.398 1.00 0.00 C ATOM 197 CD2 TYR A 671 2.303 9.253 -4.991 1.00 0.00 C ATOM 198 CE1 TYR A 671 2.188 11.036 -2.890 1.00 0.00 C ATOM 199 CE2 TYR A 671 3.467 9.801 -4.490 1.00 0.00 C ATOM 200 CZ TYR A 671 3.405 10.691 -3.438 1.00 0.00 C ATOM 201 OH TYR A 671 4.562 11.236 -2.933 1.00 0.00 O ATOM 0 H TYR A 671 -1.619 10.723 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 671 -0.391 10.508 -6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 671 -0.810 8.603 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 671 0.054 8.111 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 671 0.077 10.756 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 671 2.356 8.555 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 671 2.142 11.734 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 671 4.421 9.534 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 671 5.332 10.888 -3.430 1.00 0.00 H new ATOM 211 N PRO A 672 -1.599 8.690 -7.888 1.00 0.00 N ATOM 212 CA PRO A 672 -2.453 7.930 -8.809 1.00 0.00 C ATOM 213 C PRO A 672 -2.728 6.500 -8.334 1.00 0.00 C ATOM 214 O PRO A 672 -3.689 5.869 -8.778 1.00 0.00 O ATOM 215 CB PRO A 672 -1.639 7.911 -10.106 1.00 0.00 C ATOM 216 CG PRO A 672 -0.221 8.012 -9.662 1.00 0.00 C ATOM 217 CD PRO A 672 -0.232 8.868 -8.424 1.00 0.00 C ATOM 0 HA PRO A 672 -3.440 8.383 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -1.813 6.995 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -1.911 8.742 -10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 672 0.192 7.026 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 672 0.400 8.458 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 672 0.524 8.546 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 672 -0.026 9.913 -8.657 1.00 0.00 H new ATOM 225 N TRP A 673 -1.888 5.992 -7.430 1.00 0.00 N ATOM 226 CA TRP A 673 -2.055 4.635 -6.907 1.00 0.00 C ATOM 227 C TRP A 673 -2.721 4.645 -5.529 1.00 0.00 C ATOM 228 O TRP A 673 -2.458 3.776 -4.694 1.00 0.00 O ATOM 229 CB TRP A 673 -0.704 3.905 -6.836 1.00 0.00 C ATOM 230 CG TRP A 673 0.451 4.770 -6.417 1.00 0.00 C ATOM 231 CD1 TRP A 673 1.278 5.490 -7.233 1.00 0.00 C ATOM 232 CD2 TRP A 673 0.913 4.996 -5.081 1.00 0.00 C ATOM 233 NE1 TRP A 673 2.222 6.152 -6.484 1.00 0.00 N ATOM 234 CE2 TRP A 673 2.020 5.864 -5.160 1.00 0.00 C ATOM 235 CE3 TRP A 673 0.499 4.548 -3.823 1.00 0.00 C ATOM 236 CZ2 TRP A 673 2.713 6.292 -4.030 1.00 0.00 C ATOM 237 CZ3 TRP A 673 1.189 4.972 -2.703 1.00 0.00 C ATOM 238 CH2 TRP A 673 2.284 5.837 -2.813 1.00 0.00 C ATOM 0 H TRP A 673 -1.089 6.497 -7.047 1.00 0.00 H new ATOM 0 HA TRP A 673 -2.707 4.099 -7.596 1.00 0.00 H new ATOM 0 HB2 TRP A 673 -0.791 3.073 -6.137 1.00 0.00 H new ATOM 0 HB3 TRP A 673 -0.485 3.477 -7.814 1.00 0.00 H new ATOM 0 HD1 TRP A 673 1.201 5.533 -8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 673 2.954 6.759 -6.854 1.00 0.00 H new ATOM 0 HE3 TRP A 673 -0.346 3.882 -3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 3.559 6.959 -4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 0.878 4.630 -1.727 1.00 0.00 H new ATOM 0 HH2 TRP A 673 2.801 6.152 -1.919 1.00 0.00 H new ATOM 249 N PHE A 674 -3.593 5.629 -5.298 1.00 0.00 N ATOM 250 CA PHE A 674 -4.291 5.740 -4.025 1.00 0.00 C ATOM 251 C PHE A 674 -5.804 5.637 -4.208 1.00 0.00 C ATOM 252 O PHE A 674 -6.368 6.185 -5.157 1.00 0.00 O ATOM 253 CB PHE A 674 -3.942 7.059 -3.340 1.00 0.00 C ATOM 254 CG PHE A 674 -4.160 7.030 -1.853 1.00 0.00 C ATOM 255 CD1 PHE A 674 -5.426 7.220 -1.323 1.00 0.00 C ATOM 256 CD2 PHE A 674 -3.101 6.809 -0.988 1.00 0.00 C ATOM 257 CE1 PHE A 674 -5.632 7.193 0.042 1.00 0.00 C ATOM 258 CE2 PHE A 674 -3.300 6.782 0.380 1.00 0.00 C ATOM 259 CZ PHE A 674 -4.567 6.974 0.896 1.00 0.00 C ATOM 0 H PHE A 674 -3.829 6.355 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 674 -3.966 4.911 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -2.899 7.302 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -4.545 7.857 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -6.262 7.391 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -2.109 6.656 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -6.624 7.343 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -2.466 6.611 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 674 -4.725 6.953 1.964 1.00 0.00 H new ATOM 269 N ALA A 675 -6.448 4.938 -3.275 1.00 0.00 N ATOM 270 CA ALA A 675 -7.897 4.754 -3.294 1.00 0.00 C ATOM 271 C ALA A 675 -8.511 5.211 -1.973 1.00 0.00 C ATOM 272 O ALA A 675 -7.875 5.121 -0.920 1.00 0.00 O ATOM 273 CB ALA A 675 -8.247 3.294 -3.558 1.00 0.00 C ATOM 0 H ALA A 675 -5.982 4.485 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 675 -8.308 5.362 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 675 -9.331 3.176 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 675 -7.839 2.991 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 675 -7.822 2.670 -2.772 1.00 0.00 H new ATOM 279 N GLY A 676 -9.746 5.698 -2.032 1.00 0.00 N ATOM 280 CA GLY A 676 -10.419 6.160 -0.829 1.00 0.00 C ATOM 281 C GLY A 676 -10.815 5.021 0.091 1.00 0.00 C ATOM 282 O GLY A 676 -10.182 3.962 0.089 1.00 0.00 O ATOM 0 H GLY A 676 -10.293 5.782 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -9.764 6.846 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -11.310 6.723 -1.109 1.00 0.00 H new ATOM 286 N ASN A 677 -11.868 5.236 0.881 1.00 0.00 N ATOM 287 CA ASN A 677 -12.352 4.217 1.808 1.00 0.00 C ATOM 288 C ASN A 677 -13.116 3.130 1.054 1.00 0.00 C ATOM 289 O ASN A 677 -14.348 3.111 1.046 1.00 0.00 O ATOM 290 CB ASN A 677 -13.247 4.848 2.883 1.00 0.00 C ATOM 291 CG ASN A 677 -12.539 5.941 3.662 1.00 0.00 C ATOM 292 OD1 ASN A 677 -12.924 7.108 3.604 1.00 0.00 O ATOM 293 ND2 ASN A 677 -11.497 5.567 4.398 1.00 0.00 N ATOM 0 H ASN A 677 -12.400 6.106 0.896 1.00 0.00 H new ATOM 0 HA ASN A 677 -11.491 3.762 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -14.138 5.262 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.582 4.073 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -10.983 6.259 4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -11.211 4.588 4.417 1.00 0.00 H new ATOM 300 N MET A 678 -12.371 2.233 0.412 1.00 0.00 N ATOM 301 CA MET A 678 -12.966 1.144 -0.360 1.00 0.00 C ATOM 302 C MET A 678 -13.162 -0.101 0.505 1.00 0.00 C ATOM 303 O MET A 678 -12.365 -0.378 1.402 1.00 0.00 O ATOM 304 CB MET A 678 -12.083 0.812 -1.567 1.00 0.00 C ATOM 305 CG MET A 678 -12.538 1.476 -2.859 1.00 0.00 C ATOM 306 SD MET A 678 -12.543 3.278 -2.759 1.00 0.00 S ATOM 307 CE MET A 678 -11.793 3.709 -4.328 1.00 0.00 C ATOM 0 H MET A 678 -11.351 2.239 0.411 1.00 0.00 H new ATOM 0 HA MET A 678 -13.945 1.471 -0.710 1.00 0.00 H new ATOM 0 HB2 MET A 678 -11.059 1.118 -1.352 1.00 0.00 H new ATOM 0 HB3 MET A 678 -12.069 -0.269 -1.710 1.00 0.00 H new ATOM 0 HG2 MET A 678 -11.883 1.164 -3.672 1.00 0.00 H new ATOM 0 HG3 MET A 678 -13.541 1.128 -3.107 1.00 0.00 H new ATOM 0 HE1 MET A 678 -11.070 4.511 -4.178 1.00 0.00 H new ATOM 0 HE2 MET A 678 -11.287 2.837 -4.741 1.00 0.00 H new ATOM 0 HE3 MET A 678 -12.565 4.042 -5.021 1.00 0.00 H new ATOM 317 N GLU A 679 -14.232 -0.848 0.228 1.00 0.00 N ATOM 318 CA GLU A 679 -14.541 -2.066 0.978 1.00 0.00 C ATOM 319 C GLU A 679 -13.727 -3.255 0.468 1.00 0.00 C ATOM 320 O GLU A 679 -13.014 -3.151 -0.532 1.00 0.00 O ATOM 321 CB GLU A 679 -16.038 -2.380 0.890 1.00 0.00 C ATOM 322 CG GLU A 679 -16.890 -1.568 1.853 1.00 0.00 C ATOM 323 CD GLU A 679 -17.582 -0.398 1.180 1.00 0.00 C ATOM 324 OE1 GLU A 679 -16.875 0.502 0.676 1.00 0.00 O ATOM 325 OE2 GLU A 679 -18.830 -0.379 1.157 1.00 0.00 O ATOM 0 H GLU A 679 -14.900 -0.630 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 679 -14.272 -1.892 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 679 -16.380 -2.195 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 679 -16.190 -3.441 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 679 -17.640 -2.218 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 679 -16.262 -1.196 2.662 1.00 0.00 H new ATOM 332 N ARG A 680 -13.846 -4.390 1.160 1.00 0.00 N ATOM 333 CA ARG A 680 -13.126 -5.604 0.775 1.00 0.00 C ATOM 334 C ARG A 680 -13.674 -6.170 -0.533 1.00 0.00 C ATOM 335 O ARG A 680 -12.910 -6.566 -1.415 1.00 0.00 O ATOM 336 CB ARG A 680 -13.221 -6.657 1.888 1.00 0.00 C ATOM 337 CG ARG A 680 -11.941 -7.462 2.078 1.00 0.00 C ATOM 338 CD ARG A 680 -11.782 -7.933 3.518 1.00 0.00 C ATOM 339 NE ARG A 680 -10.958 -7.019 4.312 1.00 0.00 N ATOM 340 CZ ARG A 680 -10.402 -7.340 5.486 1.00 0.00 C ATOM 341 NH1 ARG A 680 -10.582 -8.548 6.013 1.00 0.00 N ATOM 342 NH2 ARG A 680 -9.663 -6.449 6.136 1.00 0.00 N ATOM 0 H ARG A 680 -14.433 -4.493 1.988 1.00 0.00 H new ATOM 0 HA ARG A 680 -12.078 -5.344 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 680 -13.471 -6.161 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 680 -14.040 -7.340 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 680 -11.951 -8.325 1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 680 -11.082 -6.852 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 680 -12.766 -8.026 3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 680 -11.331 -8.925 3.526 1.00 0.00 H new ATOM 0 HE ARG A 680 -10.798 -6.080 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 680 -11.148 -9.240 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 680 -10.154 -8.783 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 680 -9.519 -5.520 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 680 -9.239 -6.694 7.031 1.00 0.00 H new ATOM 356 N GLN A 681 -15.002 -6.197 -0.656 1.00 0.00 N ATOM 357 CA GLN A 681 -15.656 -6.706 -1.860 1.00 0.00 C ATOM 358 C GLN A 681 -15.278 -5.868 -3.081 1.00 0.00 C ATOM 359 O GLN A 681 -15.011 -6.407 -4.154 1.00 0.00 O ATOM 360 CB GLN A 681 -17.178 -6.712 -1.679 1.00 0.00 C ATOM 361 CG GLN A 681 -17.932 -7.390 -2.815 1.00 0.00 C ATOM 362 CD GLN A 681 -17.950 -8.902 -2.688 1.00 0.00 C ATOM 363 OE1 GLN A 681 -16.904 -9.538 -2.569 1.00 0.00 O ATOM 364 NE2 GLN A 681 -19.144 -9.490 -2.715 1.00 0.00 N ATOM 0 H GLN A 681 -15.646 -5.872 0.065 1.00 0.00 H new ATOM 0 HA GLN A 681 -15.315 -7.728 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 681 -17.421 -7.216 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 681 -17.527 -5.684 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 681 -18.957 -7.019 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 681 -17.473 -7.115 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 681 -19.988 -8.926 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 681 -19.215 -10.504 -2.635 1.00 0.00 H new ATOM 373 N GLN A 682 -15.257 -4.546 -2.907 1.00 0.00 N ATOM 374 CA GLN A 682 -14.909 -3.633 -3.994 1.00 0.00 C ATOM 375 C GLN A 682 -13.480 -3.870 -4.468 1.00 0.00 C ATOM 376 O GLN A 682 -13.225 -3.964 -5.669 1.00 0.00 O ATOM 377 CB GLN A 682 -15.073 -2.176 -3.547 1.00 0.00 C ATOM 378 CG GLN A 682 -16.207 -1.449 -4.252 1.00 0.00 C ATOM 379 CD GLN A 682 -17.045 -0.615 -3.304 1.00 0.00 C ATOM 380 OE1 GLN A 682 -16.577 0.386 -2.762 1.00 0.00 O ATOM 381 NE2 GLN A 682 -18.290 -1.026 -3.099 1.00 0.00 N ATOM 0 H GLN A 682 -15.477 -4.085 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 682 -15.588 -3.828 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -15.250 -2.152 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -14.141 -1.641 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -15.793 -0.805 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -16.846 -2.178 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -18.635 -1.862 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -18.902 -0.506 -2.470 1.00 0.00 H new ATOM 390 N THR A 683 -12.550 -3.964 -3.517 1.00 0.00 N ATOM 391 CA THR A 683 -11.142 -4.193 -3.837 1.00 0.00 C ATOM 392 C THR A 683 -10.975 -5.441 -4.703 1.00 0.00 C ATOM 393 O THR A 683 -10.178 -5.450 -5.643 1.00 0.00 O ATOM 394 CB THR A 683 -10.314 -4.341 -2.554 1.00 0.00 C ATOM 395 OG1 THR A 683 -10.588 -3.288 -1.646 1.00 0.00 O ATOM 396 CG2 THR A 683 -8.822 -4.350 -2.805 1.00 0.00 C ATOM 0 H THR A 683 -12.747 -3.885 -2.519 1.00 0.00 H new ATOM 0 HA THR A 683 -10.783 -3.328 -4.395 1.00 0.00 H new ATOM 0 HB THR A 683 -10.606 -5.304 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 683 -11.397 -3.499 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 683 -8.294 -4.457 -1.857 1.00 0.00 H new ATOM 0 HG22 THR A 683 -8.568 -5.185 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 683 -8.527 -3.414 -3.280 1.00 0.00 H new ATOM 404 N ASP A 684 -11.727 -6.492 -4.377 1.00 0.00 N ATOM 405 CA ASP A 684 -11.658 -7.744 -5.125 1.00 0.00 C ATOM 406 C ASP A 684 -12.221 -7.577 -6.534 1.00 0.00 C ATOM 407 O ASP A 684 -11.549 -7.892 -7.515 1.00 0.00 O ATOM 408 CB ASP A 684 -12.411 -8.856 -4.388 1.00 0.00 C ATOM 409 CG ASP A 684 -11.677 -10.183 -4.447 1.00 0.00 C ATOM 410 OD1 ASP A 684 -11.667 -10.809 -5.526 1.00 0.00 O ATOM 411 OD2 ASP A 684 -11.111 -10.592 -3.411 1.00 0.00 O ATOM 0 H ASP A 684 -12.389 -6.500 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 684 -10.607 -8.023 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -12.553 -8.567 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -13.403 -8.972 -4.825 1.00 0.00 H new ATOM 416 N ASN A 685 -13.456 -7.078 -6.631 1.00 0.00 N ATOM 417 CA ASN A 685 -14.107 -6.867 -7.928 1.00 0.00 C ATOM 418 C ASN A 685 -13.320 -5.877 -8.795 1.00 0.00 C ATOM 419 O ASN A 685 -13.453 -5.872 -10.019 1.00 0.00 O ATOM 420 CB ASN A 685 -15.539 -6.354 -7.736 1.00 0.00 C ATOM 421 CG ASN A 685 -16.421 -7.331 -6.977 1.00 0.00 C ATOM 422 OD1 ASN A 685 -16.256 -8.547 -7.079 1.00 0.00 O ATOM 423 ND2 ASN A 685 -17.372 -6.801 -6.210 1.00 0.00 N ATOM 0 H ASN A 685 -14.026 -6.812 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 685 -14.134 -7.829 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 685 -15.511 -5.406 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 685 -15.982 -6.155 -8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 685 -17.997 -7.408 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 685 -17.476 -5.788 -6.153 1.00 0.00 H new ATOM 430 N LEU A 686 -12.505 -5.041 -8.154 1.00 0.00 N ATOM 431 CA LEU A 686 -11.703 -4.053 -8.868 1.00 0.00 C ATOM 432 C LEU A 686 -10.552 -4.715 -9.614 1.00 0.00 C ATOM 433 O LEU A 686 -10.382 -4.517 -10.816 1.00 0.00 O ATOM 434 CB LEU A 686 -11.170 -3.002 -7.913 1.00 0.00 C ATOM 435 CG LEU A 686 -11.699 -1.607 -8.212 1.00 0.00 C ATOM 436 CD1 LEU A 686 -12.518 -1.091 -7.049 1.00 0.00 C ATOM 437 CD2 LEU A 686 -10.557 -0.677 -8.560 1.00 0.00 C ATOM 0 H LEU A 686 -12.384 -5.029 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 686 -12.350 -3.567 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 686 -11.439 -3.276 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 686 -10.081 -2.991 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 686 -12.360 -1.653 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 686 -12.889 -0.092 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 686 -13.361 -1.759 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 686 -11.895 -1.049 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 686 -10.949 0.318 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 686 -9.864 -0.622 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 686 -10.034 -1.055 -9.439 1.00 0.00 H new ATOM 449 N LEU A 687 -9.764 -5.507 -8.890 1.00 0.00 N ATOM 450 CA LEU A 687 -8.627 -6.207 -9.480 1.00 0.00 C ATOM 451 C LEU A 687 -8.960 -7.681 -9.730 1.00 0.00 C ATOM 452 O LEU A 687 -8.067 -8.532 -9.767 1.00 0.00 O ATOM 453 CB LEU A 687 -7.402 -6.096 -8.567 1.00 0.00 C ATOM 454 CG LEU A 687 -7.227 -4.748 -7.859 1.00 0.00 C ATOM 455 CD1 LEU A 687 -6.631 -4.948 -6.472 1.00 0.00 C ATOM 456 CD2 LEU A 687 -6.358 -3.817 -8.694 1.00 0.00 C ATOM 0 H LEU A 687 -9.893 -5.680 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 687 -8.402 -5.738 -10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 687 -7.462 -6.879 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 687 -6.509 -6.294 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 687 -8.208 -4.286 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 687 -6.514 -3.981 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 687 -7.295 -5.576 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 687 -5.658 -5.430 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 687 -6.244 -2.864 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 687 -5.377 -4.269 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 687 -6.830 -3.650 -9.662 1.00 0.00 H new ATOM 468 N LYS A 688 -10.250 -7.975 -9.900 1.00 0.00 N ATOM 469 CA LYS A 688 -10.706 -9.337 -10.142 1.00 0.00 C ATOM 470 C LYS A 688 -10.184 -9.876 -11.476 1.00 0.00 C ATOM 471 O LYS A 688 -10.022 -11.086 -11.642 1.00 0.00 O ATOM 472 CB LYS A 688 -12.237 -9.390 -10.101 1.00 0.00 C ATOM 473 CG LYS A 688 -12.918 -8.756 -11.306 1.00 0.00 C ATOM 474 CD LYS A 688 -13.927 -9.699 -11.942 1.00 0.00 C ATOM 475 CE LYS A 688 -14.767 -8.987 -12.992 1.00 0.00 C ATOM 476 NZ LYS A 688 -15.594 -9.936 -13.789 1.00 0.00 N ATOM 0 H LYS A 688 -10.998 -7.282 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 688 -10.305 -9.974 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 688 -12.551 -10.431 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 688 -12.582 -8.888 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 688 -13.420 -7.839 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 688 -12.166 -8.476 -12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 688 -13.404 -10.539 -12.400 1.00 0.00 H new ATOM 0 HD3 LYS A 688 -14.578 -10.111 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 688 -15.418 -8.262 -12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 688 -14.112 -8.428 -13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 -16.149 -9.407 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 -14.973 -10.613 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 -16.238 -10.452 -13.156 1.00 0.00 H new ATOM 490 N SER A 689 -9.920 -8.974 -12.423 1.00 0.00 N ATOM 491 CA SER A 689 -9.411 -9.362 -13.736 1.00 0.00 C ATOM 492 C SER A 689 -8.289 -8.424 -14.190 1.00 0.00 C ATOM 493 O SER A 689 -8.122 -8.171 -15.384 1.00 0.00 O ATOM 494 CB SER A 689 -10.548 -9.358 -14.762 1.00 0.00 C ATOM 495 OG SER A 689 -10.310 -10.303 -15.791 1.00 0.00 O ATOM 0 H SER A 689 -10.051 -7.970 -12.303 1.00 0.00 H new ATOM 0 HA SER A 689 -9.001 -10.369 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 689 -11.491 -9.586 -14.265 1.00 0.00 H new ATOM 0 HB3 SER A 689 -10.648 -8.362 -15.194 1.00 0.00 H new ATOM 0 HG SER A 689 -11.051 -10.282 -16.432 1.00 0.00 H new ATOM 501 N HIS A 690 -7.521 -7.915 -13.228 1.00 0.00 N ATOM 502 CA HIS A 690 -6.416 -7.010 -13.528 1.00 0.00 C ATOM 503 C HIS A 690 -5.144 -7.790 -13.840 1.00 0.00 C ATOM 504 O HIS A 690 -5.038 -8.978 -13.525 1.00 0.00 O ATOM 505 CB HIS A 690 -6.173 -6.064 -12.349 1.00 0.00 C ATOM 506 CG HIS A 690 -6.382 -4.621 -12.689 1.00 0.00 C ATOM 507 ND1 HIS A 690 -5.454 -3.865 -13.373 1.00 0.00 N ATOM 508 CD2 HIS A 690 -7.421 -3.790 -12.426 1.00 0.00 C ATOM 509 CE1 HIS A 690 -5.911 -2.633 -13.515 1.00 0.00 C ATOM 510 NE2 HIS A 690 -7.101 -2.562 -12.950 1.00 0.00 N ATOM 0 H HIS A 690 -7.645 -8.115 -12.235 1.00 0.00 H new ATOM 0 HA HIS A 690 -6.685 -6.424 -14.407 1.00 0.00 H new ATOM 0 HB2 HIS A 690 -6.840 -6.337 -11.531 1.00 0.00 H new ATOM 0 HB3 HIS A 690 -5.154 -6.200 -11.988 1.00 0.00 H new ATOM 0 HD2 HIS A 690 -8.330 -4.046 -11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 690 -5.397 -1.822 -14.010 1.00 0.00 H new ATOM 0 HE2 HIS A 690 -7.689 -1.729 -12.909 1.00 0.00 H new ATOM 519 N ALA A 691 -4.178 -7.114 -14.455 1.00 0.00 N ATOM 520 CA ALA A 691 -2.906 -7.739 -14.808 1.00 0.00 C ATOM 521 C ALA A 691 -2.034 -7.946 -13.573 1.00 0.00 C ATOM 522 O ALA A 691 -2.209 -7.271 -12.555 1.00 0.00 O ATOM 523 CB ALA A 691 -2.173 -6.894 -15.840 1.00 0.00 C ATOM 0 H ALA A 691 -4.252 -6.132 -14.720 1.00 0.00 H new ATOM 0 HA ALA A 691 -3.116 -8.718 -15.239 1.00 0.00 H new ATOM 0 HB1 ALA A 691 -1.226 -7.371 -16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 691 -2.786 -6.802 -16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 691 -1.981 -5.903 -15.429 1.00 0.00 H new ATOM 529 N SER A 692 -1.091 -8.882 -13.668 1.00 0.00 N ATOM 530 CA SER A 692 -0.185 -9.178 -12.559 1.00 0.00 C ATOM 531 C SER A 692 0.725 -7.988 -12.271 1.00 0.00 C ATOM 532 O SER A 692 1.583 -7.638 -13.086 1.00 0.00 O ATOM 533 CB SER A 692 0.661 -10.413 -12.873 1.00 0.00 C ATOM 534 OG SER A 692 -0.011 -11.601 -12.495 1.00 0.00 O ATOM 0 H SER A 692 -0.934 -9.449 -14.502 1.00 0.00 H new ATOM 0 HA SER A 692 -0.790 -9.378 -11.675 1.00 0.00 H new ATOM 0 HB2 SER A 692 0.886 -10.442 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 692 1.614 -10.348 -12.348 1.00 0.00 H new ATOM 0 HG SER A 692 0.550 -12.376 -12.708 1.00 0.00 H new ATOM 540 N GLY A 693 0.532 -7.367 -11.109 1.00 0.00 N ATOM 541 CA GLY A 693 1.339 -6.220 -10.732 1.00 0.00 C ATOM 542 C GLY A 693 0.511 -4.993 -10.376 1.00 0.00 C ATOM 543 O GLY A 693 1.066 -3.956 -10.007 1.00 0.00 O ATOM 0 H GLY A 693 -0.171 -7.639 -10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.964 -6.488 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 693 2.011 -5.971 -11.554 1.00 0.00 H new ATOM 547 N THR A 694 -0.814 -5.102 -10.485 1.00 0.00 N ATOM 548 CA THR A 694 -1.700 -3.986 -10.166 1.00 0.00 C ATOM 549 C THR A 694 -1.710 -3.727 -8.662 1.00 0.00 C ATOM 550 O THR A 694 -2.020 -4.623 -7.875 1.00 0.00 O ATOM 551 CB THR A 694 -3.123 -4.261 -10.664 1.00 0.00 C ATOM 552 OG1 THR A 694 -3.107 -4.810 -11.972 1.00 0.00 O ATOM 553 CG2 THR A 694 -3.988 -3.019 -10.699 1.00 0.00 C ATOM 0 H THR A 694 -1.294 -5.949 -10.791 1.00 0.00 H new ATOM 0 HA THR A 694 -1.323 -3.098 -10.673 1.00 0.00 H new ATOM 0 HB THR A 694 -3.547 -4.967 -9.950 1.00 0.00 H new ATOM 0 HG1 THR A 694 -3.802 -4.382 -12.515 1.00 0.00 H new ATOM 0 HG21 THR A 694 -4.983 -3.279 -11.060 1.00 0.00 H new ATOM 0 HG22 THR A 694 -4.064 -2.600 -9.696 1.00 0.00 H new ATOM 0 HG23 THR A 694 -3.541 -2.283 -11.367 1.00 0.00 H new ATOM 561 N TYR A 695 -1.353 -2.507 -8.268 1.00 0.00 N ATOM 562 CA TYR A 695 -1.304 -2.144 -6.852 1.00 0.00 C ATOM 563 C TYR A 695 -2.154 -0.909 -6.551 1.00 0.00 C ATOM 564 O TYR A 695 -2.298 -0.019 -7.392 1.00 0.00 O ATOM 565 CB TYR A 695 0.147 -1.899 -6.426 1.00 0.00 C ATOM 566 CG TYR A 695 0.777 -0.667 -7.047 1.00 0.00 C ATOM 567 CD1 TYR A 695 1.280 -0.695 -8.343 1.00 0.00 C ATOM 568 CD2 TYR A 695 0.873 0.521 -6.333 1.00 0.00 C ATOM 569 CE1 TYR A 695 1.857 0.427 -8.908 1.00 0.00 C ATOM 570 CE2 TYR A 695 1.449 1.645 -6.892 1.00 0.00 C ATOM 571 CZ TYR A 695 1.939 1.593 -8.179 1.00 0.00 C ATOM 572 OH TYR A 695 2.513 2.712 -8.739 1.00 0.00 O ATOM 0 H TYR A 695 -1.094 -1.755 -8.906 1.00 0.00 H new ATOM 0 HA TYR A 695 -1.718 -2.976 -6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 695 0.184 -1.805 -5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 695 0.744 -2.772 -6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 695 1.219 -1.608 -8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 695 0.491 0.566 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 695 2.242 0.390 -9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 695 1.515 2.561 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 695 2.156 3.515 -8.305 1.00 0.00 H new ATOM 582 N LEU A 696 -2.703 -0.862 -5.336 1.00 0.00 N ATOM 583 CA LEU A 696 -3.530 0.263 -4.901 1.00 0.00 C ATOM 584 C LEU A 696 -3.551 0.375 -3.375 1.00 0.00 C ATOM 585 O LEU A 696 -3.329 -0.608 -2.666 1.00 0.00 O ATOM 586 CB LEU A 696 -4.960 0.123 -5.439 1.00 0.00 C ATOM 587 CG LEU A 696 -5.798 -0.995 -4.811 1.00 0.00 C ATOM 588 CD1 LEU A 696 -6.502 -0.499 -3.555 1.00 0.00 C ATOM 589 CD2 LEU A 696 -6.810 -1.529 -5.814 1.00 0.00 C ATOM 0 H LEU A 696 -2.589 -1.593 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 696 -3.090 1.175 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -5.479 1.070 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -4.909 -0.046 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 696 -5.129 -1.808 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -7.092 -1.308 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -5.760 -0.165 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -7.159 0.332 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -7.397 -2.323 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -7.473 -0.722 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -6.286 -1.925 -6.684 1.00 0.00 H new ATOM 601 N ILE A 697 -3.821 1.583 -2.878 1.00 0.00 N ATOM 602 CA ILE A 697 -3.877 1.832 -1.438 1.00 0.00 C ATOM 603 C ILE A 697 -5.302 2.170 -0.999 1.00 0.00 C ATOM 604 O ILE A 697 -5.985 2.958 -1.650 1.00 0.00 O ATOM 605 CB ILE A 697 -2.940 2.991 -1.027 1.00 0.00 C ATOM 606 CG1 ILE A 697 -1.568 2.849 -1.696 1.00 0.00 C ATOM 607 CG2 ILE A 697 -2.790 3.049 0.488 1.00 0.00 C ATOM 608 CD1 ILE A 697 -0.867 1.542 -1.387 1.00 0.00 C ATOM 0 H ILE A 697 -4.005 2.405 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 697 -3.548 0.917 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 697 -3.390 3.924 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 697 -1.690 2.938 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 697 -0.932 3.675 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 697 -2.127 3.871 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 697 -3.767 3.207 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 697 -2.369 2.110 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 697 0.096 1.517 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 697 -0.711 1.458 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 697 -1.481 0.710 -1.731 1.00 0.00 H new ATOM 620 N ARG A 698 -5.745 1.571 0.107 1.00 0.00 N ATOM 621 CA ARG A 698 -7.093 1.817 0.626 1.00 0.00 C ATOM 622 C ARG A 698 -7.058 2.147 2.119 1.00 0.00 C ATOM 623 O ARG A 698 -6.286 1.558 2.875 1.00 0.00 O ATOM 624 CB ARG A 698 -7.992 0.600 0.377 1.00 0.00 C ATOM 625 CG ARG A 698 -7.435 -0.703 0.937 1.00 0.00 C ATOM 626 CD ARG A 698 -8.518 -1.760 1.086 1.00 0.00 C ATOM 627 NE ARG A 698 -8.047 -2.922 1.839 1.00 0.00 N ATOM 628 CZ ARG A 698 -8.772 -4.020 2.052 1.00 0.00 C ATOM 629 NH1 ARG A 698 -10.010 -4.113 1.579 1.00 0.00 N ATOM 630 NH2 ARG A 698 -8.257 -5.027 2.748 1.00 0.00 N ATOM 0 H ARG A 698 -5.194 0.914 0.660 1.00 0.00 H new ATOM 0 HA ARG A 698 -7.504 2.676 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 698 -8.970 0.786 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 698 -8.145 0.487 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 698 -6.651 -1.076 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 698 -6.974 -0.515 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 698 -9.381 -1.326 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 698 -8.852 -2.079 0.099 1.00 0.00 H new ATOM 0 HE ARG A 698 -7.104 -2.890 2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 698 -10.413 -3.341 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 698 -10.558 -4.957 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 698 -7.309 -4.959 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 698 -8.810 -5.868 2.913 1.00 0.00 H new ATOM 644 N GLU A 699 -7.901 3.093 2.536 1.00 0.00 N ATOM 645 CA GLU A 699 -7.966 3.504 3.941 1.00 0.00 C ATOM 646 C GLU A 699 -9.131 2.824 4.660 1.00 0.00 C ATOM 647 O GLU A 699 -10.098 2.395 4.030 1.00 0.00 O ATOM 648 CB GLU A 699 -8.111 5.026 4.048 1.00 0.00 C ATOM 649 CG GLU A 699 -7.177 5.800 3.131 1.00 0.00 C ATOM 650 CD GLU A 699 -7.561 7.261 3.004 1.00 0.00 C ATOM 651 OE1 GLU A 699 -7.087 8.073 3.825 1.00 0.00 O ATOM 652 OE2 GLU A 699 -8.338 7.593 2.084 1.00 0.00 O ATOM 0 H GLU A 699 -8.548 3.589 1.923 1.00 0.00 H new ATOM 0 HA GLU A 699 -7.036 3.198 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 699 -9.140 5.300 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 699 -7.924 5.327 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 699 -6.158 5.728 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 699 -7.181 5.340 2.143 1.00 0.00 H new ATOM 747 N ARG A 706 -4.713 2.438 9.688 1.00 0.00 N ATOM 748 CA ARG A 706 -5.791 3.005 8.880 1.00 0.00 C ATOM 749 C ARG A 706 -5.390 3.121 7.405 1.00 0.00 C ATOM 750 O ARG A 706 -5.973 3.909 6.657 1.00 0.00 O ATOM 751 CB ARG A 706 -6.205 4.380 9.425 1.00 0.00 C ATOM 752 CG ARG A 706 -5.098 5.424 9.382 1.00 0.00 C ATOM 753 CD ARG A 706 -4.407 5.567 10.731 1.00 0.00 C ATOM 754 NE ARG A 706 -5.164 6.418 11.649 1.00 0.00 N ATOM 755 CZ ARG A 706 -5.222 7.749 11.560 1.00 0.00 C ATOM 756 NH1 ARG A 706 -4.581 8.390 10.585 1.00 0.00 N ATOM 757 NH2 ARG A 706 -5.927 8.443 12.446 1.00 0.00 N ATOM 0 HA ARG A 706 -6.641 2.326 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 706 -7.057 4.745 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 706 -6.541 4.264 10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 706 -4.365 5.146 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 706 -5.516 6.385 9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 706 -4.275 4.581 11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 706 -3.412 5.987 10.585 1.00 0.00 H new ATOM 0 HE ARG A 706 -5.680 5.966 12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 706 -4.040 7.864 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 706 -4.631 9.407 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 706 -6.424 7.959 13.194 1.00 0.00 H new ATOM 0 HH22 ARG A 706 -5.972 9.460 12.378 1.00 0.00 H new ATOM 771 N PHE A 707 -4.397 2.331 6.987 1.00 0.00 N ATOM 772 CA PHE A 707 -3.932 2.351 5.602 1.00 0.00 C ATOM 773 C PHE A 707 -3.539 0.949 5.141 1.00 0.00 C ATOM 774 O PHE A 707 -2.688 0.303 5.752 1.00 0.00 O ATOM 775 CB PHE A 707 -2.741 3.303 5.448 1.00 0.00 C ATOM 776 CG PHE A 707 -3.078 4.746 5.713 1.00 0.00 C ATOM 777 CD1 PHE A 707 -3.932 5.441 4.869 1.00 0.00 C ATOM 778 CD2 PHE A 707 -2.539 5.407 6.806 1.00 0.00 C ATOM 779 CE1 PHE A 707 -4.241 6.765 5.110 1.00 0.00 C ATOM 780 CE2 PHE A 707 -2.844 6.733 7.052 1.00 0.00 C ATOM 781 CZ PHE A 707 -3.696 7.412 6.204 1.00 0.00 C ATOM 0 H PHE A 707 -3.902 1.672 7.588 1.00 0.00 H new ATOM 0 HA PHE A 707 -4.752 2.706 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 707 -1.950 2.993 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 707 -2.344 3.212 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 707 -4.360 4.940 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 707 -1.873 4.880 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 707 -4.907 7.295 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 707 -2.416 7.237 7.906 1.00 0.00 H new ATOM 0 HZ PHE A 707 -3.937 8.447 6.395 1.00 0.00 H new ATOM 791 N ALA A 708 -4.168 0.486 4.064 1.00 0.00 N ATOM 792 CA ALA A 708 -3.891 -0.841 3.521 1.00 0.00 C ATOM 793 C ALA A 708 -3.370 -0.756 2.089 1.00 0.00 C ATOM 794 O ALA A 708 -3.552 0.254 1.411 1.00 0.00 O ATOM 795 CB ALA A 708 -5.142 -1.705 3.575 1.00 0.00 C ATOM 0 H ALA A 708 -4.874 1.011 3.549 1.00 0.00 H new ATOM 0 HA ALA A 708 -3.116 -1.299 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 708 -4.921 -2.691 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 708 -5.470 -1.805 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 708 -5.932 -1.238 2.987 1.00 0.00 H new ATOM 801 N ILE A 709 -2.722 -1.830 1.634 1.00 0.00 N ATOM 802 CA ILE A 709 -2.174 -1.880 0.281 1.00 0.00 C ATOM 803 C ILE A 709 -2.623 -3.146 -0.444 1.00 0.00 C ATOM 804 O ILE A 709 -1.985 -4.196 -0.339 1.00 0.00 O ATOM 805 CB ILE A 709 -0.631 -1.818 0.294 1.00 0.00 C ATOM 806 CG1 ILE A 709 -0.151 -0.677 1.198 1.00 0.00 C ATOM 807 CG2 ILE A 709 -0.094 -1.646 -1.122 1.00 0.00 C ATOM 808 CD1 ILE A 709 1.343 -0.675 1.431 1.00 0.00 C ATOM 0 H ILE A 709 -2.565 -2.675 2.183 1.00 0.00 H new ATOM 0 HA ILE A 709 -2.555 -1.008 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 709 -0.248 -2.757 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 709 -0.442 0.275 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 709 -0.660 -0.748 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 709 0.995 -1.604 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 709 -0.410 -2.489 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 709 -0.482 -0.721 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 709 1.609 0.160 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 709 1.639 -1.611 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 709 1.860 -0.573 0.477 1.00 0.00 H new ATOM 820 N SER A 710 -3.725 -3.036 -1.182 1.00 0.00 N ATOM 821 CA SER A 710 -4.266 -4.165 -1.932 1.00 0.00 C ATOM 822 C SER A 710 -3.542 -4.314 -3.267 1.00 0.00 C ATOM 823 O SER A 710 -3.548 -3.397 -4.091 1.00 0.00 O ATOM 824 CB SER A 710 -5.765 -3.975 -2.172 1.00 0.00 C ATOM 825 OG SER A 710 -6.360 -3.212 -1.136 1.00 0.00 O ATOM 0 H SER A 710 -4.262 -2.174 -1.276 1.00 0.00 H new ATOM 0 HA SER A 710 -4.114 -5.071 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 710 -5.922 -3.477 -3.129 1.00 0.00 H new ATOM 0 HB3 SER A 710 -6.252 -4.948 -2.235 1.00 0.00 H new ATOM 0 HG SER A 710 -6.673 -3.811 -0.426 1.00 0.00 H new ATOM 831 N ILE A 711 -2.911 -5.468 -3.472 1.00 0.00 N ATOM 832 CA ILE A 711 -2.176 -5.724 -4.706 1.00 0.00 C ATOM 833 C ILE A 711 -2.714 -6.952 -5.442 1.00 0.00 C ATOM 834 O ILE A 711 -3.279 -7.864 -4.834 1.00 0.00 O ATOM 835 CB ILE A 711 -0.662 -5.887 -4.423 1.00 0.00 C ATOM 836 CG1 ILE A 711 0.169 -5.216 -5.528 1.00 0.00 C ATOM 837 CG2 ILE A 711 -0.272 -7.351 -4.248 1.00 0.00 C ATOM 838 CD1 ILE A 711 0.448 -6.095 -6.728 1.00 0.00 C ATOM 0 H ILE A 711 -2.894 -6.237 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 711 -2.320 -4.858 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 711 -0.445 -5.386 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 711 -0.353 -4.320 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 711 1.119 -4.891 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 711 0.798 -7.422 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 711 -0.824 -7.777 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 711 -0.511 -7.902 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 711 1.039 -5.540 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 711 1.000 -6.979 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 711 -0.495 -6.400 -7.183 1.00 0.00 H new ATOM 850 N LYS A 712 -2.529 -6.955 -6.759 1.00 0.00 N ATOM 851 CA LYS A 712 -2.983 -8.052 -7.611 1.00 0.00 C ATOM 852 C LYS A 712 -1.800 -8.881 -8.108 1.00 0.00 C ATOM 853 O LYS A 712 -0.955 -8.386 -8.855 1.00 0.00 O ATOM 854 CB LYS A 712 -3.774 -7.504 -8.803 1.00 0.00 C ATOM 855 CG LYS A 712 -4.871 -8.437 -9.292 1.00 0.00 C ATOM 856 CD LYS A 712 -4.352 -9.408 -10.342 1.00 0.00 C ATOM 857 CE LYS A 712 -5.068 -10.748 -10.267 1.00 0.00 C ATOM 858 NZ LYS A 712 -5.737 -11.097 -11.551 1.00 0.00 N ATOM 0 H LYS A 712 -2.063 -6.202 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 712 -3.631 -8.697 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -4.220 -6.549 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -3.085 -7.306 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -5.278 -8.995 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -5.689 -7.850 -9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -4.486 -8.978 -11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -3.282 -9.558 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -4.352 -11.528 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -5.809 -10.718 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -6.506 -11.773 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -6.128 -10.236 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -5.045 -11.526 -12.198 1.00 0.00 H new ATOM 872 N PHE A 713 -1.745 -10.144 -7.685 1.00 0.00 N ATOM 873 CA PHE A 713 -0.664 -11.038 -8.088 1.00 0.00 C ATOM 874 C PHE A 713 -1.123 -12.494 -8.081 1.00 0.00 C ATOM 875 O PHE A 713 -2.013 -12.869 -7.317 1.00 0.00 O ATOM 876 CB PHE A 713 0.535 -10.865 -7.152 1.00 0.00 C ATOM 877 CG PHE A 713 1.849 -11.231 -7.781 1.00 0.00 C ATOM 878 CD1 PHE A 713 2.231 -10.679 -8.995 1.00 0.00 C ATOM 879 CD2 PHE A 713 2.701 -12.126 -7.156 1.00 0.00 C ATOM 880 CE1 PHE A 713 3.439 -11.016 -9.572 1.00 0.00 C ATOM 881 CE2 PHE A 713 3.911 -12.467 -7.728 1.00 0.00 C ATOM 882 CZ PHE A 713 4.282 -11.911 -8.938 1.00 0.00 C ATOM 0 H PHE A 713 -2.435 -10.568 -7.065 1.00 0.00 H new ATOM 0 HA PHE A 713 -0.370 -10.778 -9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 713 0.578 -9.828 -6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 713 0.383 -11.479 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 713 1.577 -9.979 -9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 713 2.416 -12.563 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 713 3.726 -10.581 -10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 713 4.566 -13.167 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 713 5.228 -12.175 -9.387 1.00 0.00 H new ATOM 892 N ASN A 714 -0.508 -13.309 -8.943 1.00 0.00 N ATOM 893 CA ASN A 714 -0.849 -14.727 -9.050 1.00 0.00 C ATOM 894 C ASN A 714 -2.335 -14.907 -9.367 1.00 0.00 C ATOM 895 O ASN A 714 -2.981 -15.828 -8.864 1.00 0.00 O ATOM 896 CB ASN A 714 -0.491 -15.461 -7.752 1.00 0.00 C ATOM 897 CG ASN A 714 0.379 -16.679 -7.997 1.00 0.00 C ATOM 898 OD1 ASN A 714 1.606 -16.598 -7.952 1.00 0.00 O ATOM 899 ND2 ASN A 714 -0.254 -17.819 -8.259 1.00 0.00 N ATOM 0 H ASN A 714 0.231 -13.008 -9.578 1.00 0.00 H new ATOM 0 HA ASN A 714 -0.270 -15.156 -9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 714 0.028 -14.776 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 714 -1.407 -15.768 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 714 0.280 -18.671 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 714 -1.273 -17.842 -8.287 1.00 0.00 H new ATOM 906 N ASP A 715 -2.871 -14.015 -10.204 1.00 0.00 N ATOM 907 CA ASP A 715 -4.283 -14.061 -10.591 1.00 0.00 C ATOM 908 C ASP A 715 -5.195 -14.009 -9.360 1.00 0.00 C ATOM 909 O ASP A 715 -6.306 -14.544 -9.375 1.00 0.00 O ATOM 910 CB ASP A 715 -4.567 -15.324 -11.411 1.00 0.00 C ATOM 911 CG ASP A 715 -3.677 -15.435 -12.635 1.00 0.00 C ATOM 912 OD1 ASP A 715 -2.576 -16.012 -12.519 1.00 0.00 O ATOM 913 OD2 ASP A 715 -4.077 -14.937 -13.708 1.00 0.00 O ATOM 0 H ASP A 715 -2.346 -13.250 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 715 -4.495 -13.186 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 715 -4.424 -16.202 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 715 -5.611 -15.323 -11.724 1.00 0.00 H new ATOM 918 N GLU A 716 -4.720 -13.360 -8.297 1.00 0.00 N ATOM 919 CA GLU A 716 -5.484 -13.235 -7.059 1.00 0.00 C ATOM 920 C GLU A 716 -5.421 -11.805 -6.524 1.00 0.00 C ATOM 921 O GLU A 716 -4.794 -10.933 -7.131 1.00 0.00 O ATOM 922 CB GLU A 716 -4.947 -14.216 -6.010 1.00 0.00 C ATOM 923 CG GLU A 716 -5.991 -15.188 -5.482 1.00 0.00 C ATOM 924 CD GLU A 716 -5.587 -15.822 -4.164 1.00 0.00 C ATOM 925 OE1 GLU A 716 -5.450 -15.083 -3.167 1.00 0.00 O ATOM 926 OE2 GLU A 716 -5.406 -17.059 -4.130 1.00 0.00 O ATOM 0 H GLU A 716 -3.805 -12.911 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 716 -6.526 -13.475 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 716 -4.124 -14.783 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 716 -4.537 -13.650 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 716 -6.938 -14.663 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 716 -6.159 -15.971 -6.221 1.00 0.00 H new ATOM 933 N VAL A 717 -6.073 -11.569 -5.384 1.00 0.00 N ATOM 934 CA VAL A 717 -6.091 -10.244 -4.768 1.00 0.00 C ATOM 935 C VAL A 717 -5.677 -10.315 -3.296 1.00 0.00 C ATOM 936 O VAL A 717 -6.398 -10.872 -2.466 1.00 0.00 O ATOM 937 CB VAL A 717 -7.487 -9.590 -4.869 1.00 0.00 C ATOM 938 CG1 VAL A 717 -7.438 -8.144 -4.397 1.00 0.00 C ATOM 939 CG2 VAL A 717 -8.025 -9.672 -6.293 1.00 0.00 C ATOM 0 H VAL A 717 -6.595 -12.279 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 717 -5.374 -9.632 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 717 -8.166 -10.141 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 717 -8.431 -7.702 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 717 -7.108 -8.111 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 717 -6.740 -7.582 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 717 -9.009 -9.205 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 717 -7.346 -9.153 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 717 -8.106 -10.717 -6.592 1.00 0.00 H new ATOM 949 N LYS A 718 -4.513 -9.743 -2.980 1.00 0.00 N ATOM 950 CA LYS A 718 -4.008 -9.738 -1.606 1.00 0.00 C ATOM 951 C LYS A 718 -4.424 -8.462 -0.875 1.00 0.00 C ATOM 952 O LYS A 718 -4.766 -7.458 -1.504 1.00 0.00 O ATOM 953 CB LYS A 718 -2.482 -9.870 -1.593 1.00 0.00 C ATOM 954 CG LYS A 718 -1.964 -10.849 -0.549 1.00 0.00 C ATOM 955 CD LYS A 718 -1.523 -12.163 -1.180 1.00 0.00 C ATOM 956 CE LYS A 718 -0.671 -12.991 -0.226 1.00 0.00 C ATOM 957 NZ LYS A 718 0.498 -12.225 0.299 1.00 0.00 N ATOM 0 H LYS A 718 -3.905 -9.279 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 718 -4.443 -10.593 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -2.145 -10.191 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -2.042 -8.890 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -1.125 -10.402 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -2.744 -11.042 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -2.401 -12.737 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -0.957 -11.958 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -1.286 -13.328 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -0.316 -13.884 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 1.347 -12.825 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 0.652 -11.381 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 0.310 -11.934 1.280 1.00 0.00 H new ATOM 971 N HIS A 719 -4.396 -8.508 0.456 1.00 0.00 N ATOM 972 CA HIS A 719 -4.774 -7.359 1.276 1.00 0.00 C ATOM 973 C HIS A 719 -3.731 -7.090 2.365 1.00 0.00 C ATOM 974 O HIS A 719 -3.748 -7.724 3.420 1.00 0.00 O ATOM 975 CB HIS A 719 -6.149 -7.589 1.910 1.00 0.00 C ATOM 976 CG HIS A 719 -7.223 -7.914 0.916 1.00 0.00 C ATOM 977 ND1 HIS A 719 -7.929 -6.950 0.224 1.00 0.00 N ATOM 978 CD2 HIS A 719 -7.708 -9.106 0.495 1.00 0.00 C ATOM 979 CE1 HIS A 719 -8.801 -7.536 -0.577 1.00 0.00 C ATOM 980 NE2 HIS A 719 -8.688 -8.844 -0.431 1.00 0.00 N ATOM 0 H HIS A 719 -4.115 -9.330 0.990 1.00 0.00 H new ATOM 0 HA HIS A 719 -4.822 -6.484 0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 719 -6.075 -8.403 2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 719 -6.438 -6.696 2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 719 -7.384 -10.082 0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 719 -9.489 -7.031 -1.239 1.00 0.00 H new ATOM 0 HE2 HIS A 719 -9.239 -9.546 -0.926 1.00 0.00 H new ATOM 989 N ILE A 720 -2.825 -6.148 2.094 1.00 0.00 N ATOM 990 CA ILE A 720 -1.770 -5.794 3.047 1.00 0.00 C ATOM 991 C ILE A 720 -2.237 -4.709 4.020 1.00 0.00 C ATOM 992 O ILE A 720 -3.115 -3.907 3.696 1.00 0.00 O ATOM 993 CB ILE A 720 -0.496 -5.302 2.322 1.00 0.00 C ATOM 994 CG1 ILE A 720 -0.107 -6.265 1.195 1.00 0.00 C ATOM 995 CG2 ILE A 720 0.654 -5.145 3.309 1.00 0.00 C ATOM 996 CD1 ILE A 720 0.133 -7.689 1.658 1.00 0.00 C ATOM 0 H ILE A 720 -2.800 -5.617 1.224 1.00 0.00 H new ATOM 0 HA ILE A 720 -1.538 -6.701 3.605 1.00 0.00 H new ATOM 0 HB ILE A 720 -0.709 -4.328 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 720 -0.896 -6.266 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 720 0.796 -5.894 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 720 1.542 -4.798 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 720 0.380 -4.419 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 720 0.864 -6.106 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 720 0.404 -8.309 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 720 0.943 -7.703 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 720 -0.775 -8.080 2.117 1.00 0.00 H new ATOM 1008 N LYS A 721 -1.639 -4.690 5.215 1.00 0.00 N ATOM 1009 CA LYS A 721 -1.988 -3.706 6.240 1.00 0.00 C ATOM 1010 C LYS A 721 -0.774 -2.862 6.637 1.00 0.00 C ATOM 1011 O LYS A 721 0.283 -3.398 6.979 1.00 0.00 O ATOM 1012 CB LYS A 721 -2.570 -4.402 7.473 1.00 0.00 C ATOM 1013 CG LYS A 721 -1.606 -5.371 8.150 1.00 0.00 C ATOM 1014 CD LYS A 721 -2.319 -6.628 8.627 1.00 0.00 C ATOM 1015 CE LYS A 721 -2.391 -6.686 10.145 1.00 0.00 C ATOM 1016 NZ LYS A 721 -2.145 -8.062 10.664 1.00 0.00 N ATOM 0 H LYS A 721 -0.910 -5.346 5.495 1.00 0.00 H new ATOM 0 HA LYS A 721 -2.741 -3.040 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -2.875 -3.645 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -3.469 -4.944 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -0.814 -5.644 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.129 -4.878 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -3.327 -6.655 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -1.796 -7.508 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.656 -6.002 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -3.372 -6.344 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.203 -8.057 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -2.861 -8.711 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -1.199 -8.379 10.372 1.00 0.00 H new ATOM 1030 N VAL A 722 -0.939 -1.539 6.595 1.00 0.00 N ATOM 1031 CA VAL A 722 0.132 -0.610 6.952 1.00 0.00 C ATOM 1032 C VAL A 722 -0.153 0.055 8.300 1.00 0.00 C ATOM 1033 O VAL A 722 -1.201 0.676 8.484 1.00 0.00 O ATOM 1034 CB VAL A 722 0.312 0.487 5.876 1.00 0.00 C ATOM 1035 CG1 VAL A 722 1.638 1.210 6.057 1.00 0.00 C ATOM 1036 CG2 VAL A 722 0.212 -0.105 4.476 1.00 0.00 C ATOM 0 H VAL A 722 -1.809 -1.086 6.316 1.00 0.00 H new ATOM 0 HA VAL A 722 1.051 -1.192 7.019 1.00 0.00 H new ATOM 0 HB VAL A 722 -0.492 1.213 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 722 1.742 1.977 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 722 1.667 1.676 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 722 2.457 0.496 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 722 0.342 0.685 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 722 0.989 -0.858 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 722 -0.767 -0.567 4.345 1.00 0.00 H new ATOM 1046 N VAL A 723 0.781 -0.090 9.241 1.00 0.00 N ATOM 1047 CA VAL A 723 0.625 0.485 10.577 1.00 0.00 C ATOM 1048 C VAL A 723 1.567 1.671 10.802 1.00 0.00 C ATOM 1049 O VAL A 723 2.705 1.672 10.328 1.00 0.00 O ATOM 1050 CB VAL A 723 0.877 -0.576 11.672 1.00 0.00 C ATOM 1051 CG1 VAL A 723 0.548 -0.022 13.052 1.00 0.00 C ATOM 1052 CG2 VAL A 723 0.071 -1.839 11.396 1.00 0.00 C ATOM 0 H VAL A 723 1.653 -0.601 9.102 1.00 0.00 H new ATOM 0 HA VAL A 723 -0.404 0.840 10.644 1.00 0.00 H new ATOM 0 HB VAL A 723 1.936 -0.834 11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 723 0.734 -0.788 13.805 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.175 0.846 13.255 1.00 0.00 H new ATOM 0 HG13 VAL A 723 -0.501 0.273 13.085 1.00 0.00 H new ATOM 0 HG21 VAL A 723 0.264 -2.572 12.179 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.992 -1.596 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 723 0.363 -2.254 10.431 1.00 0.00 H new ATOM 1062 N GLU A 724 1.079 2.674 11.539 1.00 0.00 N ATOM 1063 CA GLU A 724 1.866 3.869 11.847 1.00 0.00 C ATOM 1064 C GLU A 724 2.049 4.024 13.357 1.00 0.00 C ATOM 1065 O GLU A 724 1.080 3.984 14.116 1.00 0.00 O ATOM 1066 CB GLU A 724 1.184 5.120 11.279 1.00 0.00 C ATOM 1067 CG GLU A 724 2.113 6.319 11.156 1.00 0.00 C ATOM 1068 CD GLU A 724 1.885 7.356 12.239 1.00 0.00 C ATOM 1069 OE1 GLU A 724 2.413 7.175 13.357 1.00 0.00 O ATOM 1070 OE2 GLU A 724 1.181 8.353 11.968 1.00 0.00 O ATOM 0 H GLU A 724 0.139 2.680 11.934 1.00 0.00 H new ATOM 0 HA GLU A 724 2.846 3.755 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 724 0.775 4.886 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 724 0.343 5.387 11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 724 3.147 5.977 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 724 1.972 6.783 10.180 1.00 0.00 H new ATOM 1077 N LYS A 725 3.298 4.210 13.787 1.00 0.00 N ATOM 1078 CA LYS A 725 3.609 4.378 15.206 1.00 0.00 C ATOM 1079 C LYS A 725 4.912 5.155 15.392 1.00 0.00 C ATOM 1080 O LYS A 725 5.864 4.969 14.633 1.00 0.00 O ATOM 1081 CB LYS A 725 3.718 3.012 15.889 1.00 0.00 C ATOM 1082 CG LYS A 725 2.442 2.580 16.597 1.00 0.00 C ATOM 1083 CD LYS A 725 2.180 1.090 16.427 1.00 0.00 C ATOM 1084 CE LYS A 725 3.028 0.255 17.379 1.00 0.00 C ATOM 1085 NZ LYS A 725 4.099 -0.501 16.665 1.00 0.00 N ATOM 0 H LYS A 725 4.111 4.248 13.172 1.00 0.00 H new ATOM 0 HA LYS A 725 2.799 4.946 15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 725 3.981 2.262 15.143 1.00 0.00 H new ATOM 0 HB3 LYS A 725 4.533 3.041 16.612 1.00 0.00 H new ATOM 0 HG2 LYS A 725 2.516 2.818 17.658 1.00 0.00 H new ATOM 0 HG3 LYS A 725 1.598 3.145 16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 725 1.124 0.884 16.604 1.00 0.00 H new ATOM 0 HD3 LYS A 725 2.393 0.798 15.399 1.00 0.00 H new ATOM 0 HE2 LYS A 725 3.482 0.907 18.125 1.00 0.00 H new ATOM 0 HE3 LYS A 725 2.387 -0.445 17.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 4.650 -1.054 17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 3.667 -1.143 15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 4.727 0.167 16.175 1.00 0.00 H new ATOM 1099 N ASP A 726 4.944 6.024 16.408 1.00 0.00 N ATOM 1100 CA ASP A 726 6.129 6.834 16.707 1.00 0.00 C ATOM 1101 C ASP A 726 6.573 7.647 15.491 1.00 0.00 C ATOM 1102 O ASP A 726 7.768 7.838 15.263 1.00 0.00 O ATOM 1103 CB ASP A 726 7.280 5.943 17.186 1.00 0.00 C ATOM 1104 CG ASP A 726 7.078 5.447 18.605 1.00 0.00 C ATOM 1105 OD1 ASP A 726 7.132 6.277 19.537 1.00 0.00 O ATOM 1106 OD2 ASP A 726 6.861 4.230 18.783 1.00 0.00 O ATOM 0 H ASP A 726 4.159 6.185 17.039 1.00 0.00 H new ATOM 0 HA ASP A 726 5.859 7.530 17.501 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.377 5.089 16.516 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.215 6.500 17.129 1.00 0.00 H new ATOM 1111 N ASN A 727 5.602 8.125 14.711 1.00 0.00 N ATOM 1112 CA ASN A 727 5.883 8.915 13.511 1.00 0.00 C ATOM 1113 C ASN A 727 6.588 8.072 12.439 1.00 0.00 C ATOM 1114 O ASN A 727 7.293 8.605 11.581 1.00 0.00 O ATOM 1115 CB ASN A 727 6.733 10.139 13.866 1.00 0.00 C ATOM 1116 CG ASN A 727 6.221 11.406 13.206 1.00 0.00 C ATOM 1117 OD1 ASN A 727 6.107 11.478 11.982 1.00 0.00 O ATOM 1118 ND2 ASN A 727 5.906 12.414 14.011 1.00 0.00 N ATOM 0 H ASN A 727 4.609 7.978 14.890 1.00 0.00 H new ATOM 0 HA ASN A 727 4.930 9.251 13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 727 6.740 10.273 14.948 1.00 0.00 H new ATOM 0 HB3 ASN A 727 7.764 9.964 13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 727 5.555 13.288 13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 727 6.015 12.314 15.020 1.00 0.00 H new ATOM 1125 N TRP A 728 6.383 6.756 12.490 1.00 0.00 N ATOM 1126 CA TRP A 728 6.983 5.840 11.524 1.00 0.00 C ATOM 1127 C TRP A 728 5.925 4.900 10.957 1.00 0.00 C ATOM 1128 O TRP A 728 4.911 4.638 11.606 1.00 0.00 O ATOM 1129 CB TRP A 728 8.109 5.036 12.176 1.00 0.00 C ATOM 1130 CG TRP A 728 9.415 5.773 12.235 1.00 0.00 C ATOM 1131 CD1 TRP A 728 9.690 6.898 12.956 1.00 0.00 C ATOM 1132 CD2 TRP A 728 10.623 5.432 11.549 1.00 0.00 C ATOM 1133 NE1 TRP A 728 10.994 7.279 12.761 1.00 0.00 N ATOM 1134 CE2 TRP A 728 11.590 6.394 11.900 1.00 0.00 C ATOM 1135 CE3 TRP A 728 10.983 4.405 10.673 1.00 0.00 C ATOM 1136 CZ2 TRP A 728 12.890 6.360 11.403 1.00 0.00 C ATOM 1137 CZ3 TRP A 728 12.273 4.372 10.180 1.00 0.00 C ATOM 1138 CH2 TRP A 728 13.213 5.342 10.546 1.00 0.00 C ATOM 0 H TRP A 728 5.803 6.300 13.194 1.00 0.00 H new ATOM 0 HA TRP A 728 7.403 6.427 10.708 1.00 0.00 H new ATOM 0 HB2 TRP A 728 7.810 4.762 13.188 1.00 0.00 H new ATOM 0 HB3 TRP A 728 8.250 4.108 11.622 1.00 0.00 H new ATOM 0 HD1 TRP A 728 8.983 7.414 13.589 1.00 0.00 H new ATOM 0 HE1 TRP A 728 11.446 8.088 13.187 1.00 0.00 H new ATOM 0 HE3 TRP A 728 10.266 3.650 10.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 728 13.617 7.108 11.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 728 12.561 3.584 9.500 1.00 0.00 H new ATOM 0 HH2 TRP A 728 14.214 5.287 10.144 1.00 0.00 H new ATOM 1149 N ILE A 729 6.156 4.402 9.743 1.00 0.00 N ATOM 1150 CA ILE A 729 5.208 3.500 9.096 1.00 0.00 C ATOM 1151 C ILE A 729 5.897 2.247 8.554 1.00 0.00 C ATOM 1152 O ILE A 729 6.993 2.320 7.997 1.00 0.00 O ATOM 1153 CB ILE A 729 4.455 4.213 7.948 1.00 0.00 C ATOM 1154 CG1 ILE A 729 3.284 3.357 7.462 1.00 0.00 C ATOM 1155 CG2 ILE A 729 5.398 4.537 6.795 1.00 0.00 C ATOM 1156 CD1 ILE A 729 1.966 3.702 8.122 1.00 0.00 C ATOM 0 H ILE A 729 6.988 4.608 9.191 1.00 0.00 H new ATOM 0 HA ILE A 729 4.491 3.197 9.859 1.00 0.00 H new ATOM 0 HB ILE A 729 4.060 5.153 8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 729 3.182 3.474 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 729 3.510 2.307 7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 729 4.844 5.038 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 729 6.195 5.191 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 729 5.831 3.614 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 729 1.182 3.055 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 729 2.050 3.557 9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 729 1.716 4.742 7.914 1.00 0.00 H new ATOM 1168 N HIS A 730 5.239 1.100 8.720 1.00 0.00 N ATOM 1169 CA HIS A 730 5.778 -0.173 8.248 1.00 0.00 C ATOM 1170 C HIS A 730 4.735 -1.286 8.347 1.00 0.00 C ATOM 1171 O HIS A 730 4.037 -1.408 9.355 1.00 0.00 O ATOM 1172 CB HIS A 730 7.030 -0.563 9.044 1.00 0.00 C ATOM 1173 CG HIS A 730 6.887 -0.398 10.527 1.00 0.00 C ATOM 1174 ND1 HIS A 730 7.469 0.637 11.229 1.00 0.00 N ATOM 1175 CD2 HIS A 730 6.229 -1.147 11.444 1.00 0.00 C ATOM 1176 CE1 HIS A 730 7.178 0.514 12.512 1.00 0.00 C ATOM 1177 NE2 HIS A 730 6.425 -0.560 12.667 1.00 0.00 N ATOM 0 H HIS A 730 4.331 1.027 9.179 1.00 0.00 H new ATOM 0 HA HIS A 730 6.050 -0.045 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 730 7.277 -1.602 8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 730 7.869 0.042 8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 730 5.656 -2.041 11.248 1.00 0.00 H new ATOM 0 HE1 HIS A 730 7.501 1.178 13.300 1.00 0.00 H new ATOM 0 HE2 HIS A 730 6.050 -0.898 13.553 1.00 0.00 H new ATOM 1186 N ILE A 731 4.639 -2.096 7.291 1.00 0.00 N ATOM 1187 CA ILE A 731 3.688 -3.208 7.256 1.00 0.00 C ATOM 1188 C ILE A 731 4.134 -4.351 8.170 1.00 0.00 C ATOM 1189 O ILE A 731 3.304 -5.088 8.702 1.00 0.00 O ATOM 1190 CB ILE A 731 3.494 -3.758 5.822 1.00 0.00 C ATOM 1191 CG1 ILE A 731 4.845 -4.089 5.171 1.00 0.00 C ATOM 1192 CG2 ILE A 731 2.717 -2.762 4.974 1.00 0.00 C ATOM 1193 CD1 ILE A 731 4.727 -4.981 3.954 1.00 0.00 C ATOM 0 H ILE A 731 5.208 -2.003 6.449 1.00 0.00 H new ATOM 0 HA ILE A 731 2.738 -2.809 7.611 1.00 0.00 H new ATOM 0 HB ILE A 731 2.919 -4.682 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 731 5.338 -3.160 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 731 5.485 -4.575 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 731 2.588 -3.163 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 731 1.739 -2.587 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 731 3.266 -1.822 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 731 5.719 -5.173 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 731 4.262 -5.925 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 731 4.114 -4.488 3.200 1.00 0.00 H new ATOM 1205 N THR A 732 5.450 -4.491 8.343 1.00 0.00 N ATOM 1206 CA THR A 732 6.015 -5.539 9.189 1.00 0.00 C ATOM 1207 C THR A 732 7.221 -5.008 9.963 1.00 0.00 C ATOM 1208 O THR A 732 7.548 -3.822 9.885 1.00 0.00 O ATOM 1209 CB THR A 732 6.415 -6.753 8.338 1.00 0.00 C ATOM 1210 OG1 THR A 732 6.956 -7.784 9.146 1.00 0.00 O ATOM 1211 CG2 THR A 732 7.435 -6.436 7.260 1.00 0.00 C ATOM 0 H THR A 732 6.146 -3.887 7.905 1.00 0.00 H new ATOM 0 HA THR A 732 5.257 -5.853 9.906 1.00 0.00 H new ATOM 0 HB THR A 732 5.490 -7.070 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 732 7.202 -8.547 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 732 7.667 -7.343 6.701 1.00 0.00 H new ATOM 0 HG22 THR A 732 7.027 -5.686 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 732 8.344 -6.051 7.721 1.00 0.00 H new ATOM 1219 N GLU A 733 7.883 -5.892 10.706 1.00 0.00 N ATOM 1220 CA GLU A 733 9.054 -5.510 11.488 1.00 0.00 C ATOM 1221 C GLU A 733 10.352 -5.850 10.749 1.00 0.00 C ATOM 1222 O GLU A 733 11.383 -6.108 11.373 1.00 0.00 O ATOM 1223 CB GLU A 733 9.025 -6.204 12.853 1.00 0.00 C ATOM 1224 CG GLU A 733 8.494 -5.320 13.970 1.00 0.00 C ATOM 1225 CD GLU A 733 7.032 -4.959 13.782 1.00 0.00 C ATOM 1226 OE1 GLU A 733 6.209 -5.884 13.617 1.00 0.00 O ATOM 1227 OE2 GLU A 733 6.713 -3.752 13.796 1.00 0.00 O ATOM 0 H GLU A 733 7.628 -6.877 10.782 1.00 0.00 H new ATOM 0 HA GLU A 733 9.024 -4.430 11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 733 8.407 -7.099 12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 733 10.033 -6.531 13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 733 8.618 -5.832 14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 733 9.087 -4.407 14.019 1.00 0.00 H new ATOM 1234 N ALA A 734 10.298 -5.836 9.418 1.00 0.00 N ATOM 1235 CA ALA A 734 11.470 -6.131 8.602 1.00 0.00 C ATOM 1236 C ALA A 734 12.202 -4.848 8.208 1.00 0.00 C ATOM 1237 O ALA A 734 13.433 -4.824 8.149 1.00 0.00 O ATOM 1238 CB ALA A 734 11.069 -6.919 7.364 1.00 0.00 C ATOM 0 H ALA A 734 9.455 -5.624 8.884 1.00 0.00 H new ATOM 0 HA ALA A 734 12.153 -6.738 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 734 11.955 -7.131 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 734 10.601 -7.856 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 734 10.363 -6.335 6.773 1.00 0.00 H new ATOM 1244 N LYS A 735 11.440 -3.786 7.939 1.00 0.00 N ATOM 1245 CA LYS A 735 12.018 -2.505 7.552 1.00 0.00 C ATOM 1246 C LYS A 735 11.073 -1.354 7.895 1.00 0.00 C ATOM 1247 O LYS A 735 9.940 -1.305 7.413 1.00 0.00 O ATOM 1248 CB LYS A 735 12.334 -2.499 6.053 1.00 0.00 C ATOM 1249 CG LYS A 735 13.805 -2.717 5.732 1.00 0.00 C ATOM 1250 CD LYS A 735 14.631 -1.464 5.986 1.00 0.00 C ATOM 1251 CE LYS A 735 14.512 -0.471 4.839 1.00 0.00 C ATOM 1252 NZ LYS A 735 15.838 0.070 4.428 1.00 0.00 N ATOM 0 H LYS A 735 10.421 -3.791 7.983 1.00 0.00 H new ATOM 0 HA LYS A 735 12.943 -2.366 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 735 11.747 -3.277 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 735 12.017 -1.546 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 735 14.192 -3.536 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 735 13.909 -3.016 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 735 14.302 -0.992 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 735 15.677 -1.739 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 735 14.039 -0.958 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 735 13.862 0.351 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 15.830 0.271 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 16.033 0.947 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 16.578 -0.630 4.637 1.00 0.00 H new ATOM 1266 N LYS A 736 11.548 -0.433 8.732 1.00 0.00 N ATOM 1267 CA LYS A 736 10.752 0.722 9.149 1.00 0.00 C ATOM 1268 C LYS A 736 11.012 1.921 8.234 1.00 0.00 C ATOM 1269 O LYS A 736 12.126 2.098 7.738 1.00 0.00 O ATOM 1270 CB LYS A 736 11.076 1.095 10.601 1.00 0.00 C ATOM 1271 CG LYS A 736 11.053 -0.088 11.560 1.00 0.00 C ATOM 1272 CD LYS A 736 11.981 0.136 12.745 1.00 0.00 C ATOM 1273 CE LYS A 736 11.206 0.520 13.998 1.00 0.00 C ATOM 1274 NZ LYS A 736 10.818 -0.672 14.806 1.00 0.00 N ATOM 0 H LYS A 736 12.484 -0.464 9.137 1.00 0.00 H new ATOM 0 HA LYS A 736 9.699 0.452 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 736 12.061 1.560 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 736 10.359 1.842 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 736 10.036 -0.248 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 736 11.350 -0.993 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 736 12.555 -0.771 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 736 12.697 0.922 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 736 11.813 1.189 14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 736 10.310 1.072 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 10.293 -0.364 15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 10.217 -1.299 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 11.673 -1.186 15.100 1.00 0.00 H new ATOM 1288 N PHE A 737 9.980 2.737 8.012 1.00 0.00 N ATOM 1289 CA PHE A 737 10.105 3.916 7.152 1.00 0.00 C ATOM 1290 C PHE A 737 9.559 5.168 7.835 1.00 0.00 C ATOM 1291 O PHE A 737 8.673 5.086 8.688 1.00 0.00 O ATOM 1292 CB PHE A 737 9.365 3.693 5.832 1.00 0.00 C ATOM 1293 CG PHE A 737 9.991 2.641 4.962 1.00 0.00 C ATOM 1294 CD1 PHE A 737 9.693 1.302 5.151 1.00 0.00 C ATOM 1295 CD2 PHE A 737 10.877 2.992 3.957 1.00 0.00 C ATOM 1296 CE1 PHE A 737 10.267 0.332 4.354 1.00 0.00 C ATOM 1297 CE2 PHE A 737 11.454 2.026 3.156 1.00 0.00 C ATOM 1298 CZ PHE A 737 11.148 0.694 3.354 1.00 0.00 C ATOM 0 H PHE A 737 9.052 2.604 8.414 1.00 0.00 H new ATOM 0 HA PHE A 737 11.167 4.066 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 737 8.335 3.409 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 737 9.329 4.633 5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 737 9.004 1.013 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 737 11.119 4.032 3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 737 10.027 -0.709 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 737 12.144 2.312 2.376 1.00 0.00 H new ATOM 0 HZ PHE A 737 11.597 -0.063 2.728 1.00 0.00 H new ATOM 1308 N ASP A 738 10.089 6.327 7.441 1.00 0.00 N ATOM 1309 CA ASP A 738 9.652 7.602 8.002 1.00 0.00 C ATOM 1310 C ASP A 738 8.264 7.975 7.480 1.00 0.00 C ATOM 1311 O ASP A 738 7.362 8.273 8.263 1.00 0.00 O ATOM 1312 CB ASP A 738 10.656 8.705 7.658 1.00 0.00 C ATOM 1313 CG ASP A 738 11.765 8.815 8.688 1.00 0.00 C ATOM 1314 OD1 ASP A 738 12.661 7.947 8.695 1.00 0.00 O ATOM 1315 OD2 ASP A 738 11.737 9.772 9.489 1.00 0.00 O ATOM 0 H ASP A 738 10.821 6.407 6.736 1.00 0.00 H new ATOM 0 HA ASP A 738 9.598 7.498 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 738 11.091 8.505 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 738 10.134 9.659 7.586 1.00 0.00 H new ATOM 1320 N SER A 739 8.102 7.956 6.156 1.00 0.00 N ATOM 1321 CA SER A 739 6.824 8.293 5.532 1.00 0.00 C ATOM 1322 C SER A 739 6.288 7.125 4.707 1.00 0.00 C ATOM 1323 O SER A 739 7.050 6.268 4.256 1.00 0.00 O ATOM 1324 CB SER A 739 6.974 9.527 4.640 1.00 0.00 C ATOM 1325 OG SER A 739 7.447 10.641 5.376 1.00 0.00 O ATOM 0 H SER A 739 8.840 7.711 5.496 1.00 0.00 H new ATOM 0 HA SER A 739 6.113 8.509 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 739 7.664 9.307 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 739 6.013 9.770 4.187 1.00 0.00 H new ATOM 0 HG SER A 739 7.535 11.414 4.780 1.00 0.00 H new ATOM 1331 N LEU A 740 4.969 7.103 4.505 1.00 0.00 N ATOM 1332 CA LEU A 740 4.325 6.047 3.722 1.00 0.00 C ATOM 1333 C LEU A 740 4.807 6.072 2.273 1.00 0.00 C ATOM 1334 O LEU A 740 4.888 5.030 1.620 1.00 0.00 O ATOM 1335 CB LEU A 740 2.801 6.204 3.760 1.00 0.00 C ATOM 1336 CG LEU A 740 2.014 4.909 3.976 1.00 0.00 C ATOM 1337 CD1 LEU A 740 0.636 5.216 4.548 1.00 0.00 C ATOM 1338 CD2 LEU A 740 1.890 4.134 2.671 1.00 0.00 C ATOM 0 H LEU A 740 4.326 7.804 4.873 1.00 0.00 H new ATOM 0 HA LEU A 740 4.597 5.089 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 740 2.544 6.903 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 740 2.475 6.655 2.823 1.00 0.00 H new ATOM 0 HG LEU A 740 2.556 4.290 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 740 0.088 4.285 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 740 0.745 5.729 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 740 0.088 5.853 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 740 1.328 3.217 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 740 1.369 4.745 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 740 2.884 3.885 2.300 1.00 0.00 H new ATOM 1350 N LEU A 741 5.127 7.267 1.775 1.00 0.00 N ATOM 1351 CA LEU A 741 5.602 7.424 0.403 1.00 0.00 C ATOM 1352 C LEU A 741 6.976 6.779 0.228 1.00 0.00 C ATOM 1353 O LEU A 741 7.252 6.163 -0.802 1.00 0.00 O ATOM 1354 CB LEU A 741 5.638 8.910 0.017 1.00 0.00 C ATOM 1355 CG LEU A 741 6.997 9.603 0.157 1.00 0.00 C ATOM 1356 CD1 LEU A 741 7.864 9.320 -1.061 1.00 0.00 C ATOM 1357 CD2 LEU A 741 6.810 11.102 0.347 1.00 0.00 C ATOM 0 H LEU A 741 5.065 8.138 2.302 1.00 0.00 H new ATOM 0 HA LEU A 741 4.907 6.914 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 741 5.308 9.005 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 741 4.914 9.444 0.633 1.00 0.00 H new ATOM 0 HG LEU A 741 7.502 9.206 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 741 8.826 9.819 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 741 8.021 8.245 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 741 7.366 9.692 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 741 7.784 11.581 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 741 6.288 11.516 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 741 6.224 11.284 1.248 1.00 0.00 H new ATOM 1369 N GLU A 742 7.829 6.918 1.244 1.00 0.00 N ATOM 1370 CA GLU A 742 9.170 6.344 1.203 1.00 0.00 C ATOM 1371 C GLU A 742 9.100 4.825 1.074 1.00 0.00 C ATOM 1372 O GLU A 742 9.868 4.224 0.321 1.00 0.00 O ATOM 1373 CB GLU A 742 9.957 6.730 2.458 1.00 0.00 C ATOM 1374 CG GLU A 742 10.699 8.049 2.325 1.00 0.00 C ATOM 1375 CD GLU A 742 11.139 8.611 3.663 1.00 0.00 C ATOM 1376 OE1 GLU A 742 10.260 9.003 4.458 1.00 0.00 O ATOM 1377 OE2 GLU A 742 12.362 8.659 3.913 1.00 0.00 O ATOM 0 H GLU A 742 7.613 7.423 2.104 1.00 0.00 H new ATOM 0 HA GLU A 742 9.685 6.744 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 742 9.271 6.791 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 742 10.673 5.940 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 742 11.574 7.907 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 742 10.057 8.774 1.825 1.00 0.00 H new ATOM 1384 N LEU A 743 8.171 4.211 1.805 1.00 0.00 N ATOM 1385 CA LEU A 743 7.996 2.762 1.760 1.00 0.00 C ATOM 1386 C LEU A 743 7.628 2.306 0.349 1.00 0.00 C ATOM 1387 O LEU A 743 8.206 1.353 -0.172 1.00 0.00 O ATOM 1388 CB LEU A 743 6.915 2.321 2.753 1.00 0.00 C ATOM 1389 CG LEU A 743 6.846 0.813 3.012 1.00 0.00 C ATOM 1390 CD1 LEU A 743 6.335 0.532 4.419 1.00 0.00 C ATOM 1391 CD2 LEU A 743 5.962 0.128 1.976 1.00 0.00 C ATOM 0 H LEU A 743 7.530 4.694 2.434 1.00 0.00 H new ATOM 0 HA LEU A 743 8.941 2.297 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 743 7.086 2.829 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 743 5.946 2.655 2.383 1.00 0.00 H new ATOM 0 HG LEU A 743 7.854 0.407 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 743 6.293 -0.545 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 743 7.008 0.984 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 743 5.337 0.955 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 743 5.927 -0.942 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 743 4.954 0.540 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 743 6.372 0.296 0.980 1.00 0.00 H new ATOM 1403 N VAL A 744 6.663 2.993 -0.264 1.00 0.00 N ATOM 1404 CA VAL A 744 6.223 2.653 -1.616 1.00 0.00 C ATOM 1405 C VAL A 744 7.368 2.790 -2.617 1.00 0.00 C ATOM 1406 O VAL A 744 7.615 1.883 -3.409 1.00 0.00 O ATOM 1407 CB VAL A 744 5.040 3.531 -2.079 1.00 0.00 C ATOM 1408 CG1 VAL A 744 4.485 3.029 -3.408 1.00 0.00 C ATOM 1409 CG2 VAL A 744 3.949 3.566 -1.017 1.00 0.00 C ATOM 0 H VAL A 744 6.173 3.785 0.153 1.00 0.00 H new ATOM 0 HA VAL A 744 5.891 1.615 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 744 5.405 4.548 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 744 3.652 3.661 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 744 5.268 3.064 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 744 4.138 2.002 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 744 3.125 4.190 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 744 3.587 2.554 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 744 4.354 3.979 -0.093 1.00 0.00 H new ATOM 1419 N GLU A 745 8.066 3.926 -2.572 1.00 0.00 N ATOM 1420 CA GLU A 745 9.188 4.174 -3.474 1.00 0.00 C ATOM 1421 C GLU A 745 10.298 3.144 -3.262 1.00 0.00 C ATOM 1422 O GLU A 745 10.891 2.655 -4.225 1.00 0.00 O ATOM 1423 CB GLU A 745 9.736 5.587 -3.267 1.00 0.00 C ATOM 1424 CG GLU A 745 9.011 6.651 -4.080 1.00 0.00 C ATOM 1425 CD GLU A 745 9.960 7.620 -4.767 1.00 0.00 C ATOM 1426 OE1 GLU A 745 10.977 7.999 -4.149 1.00 0.00 O ATOM 1427 OE2 GLU A 745 9.682 7.999 -5.925 1.00 0.00 O ATOM 0 H GLU A 745 7.873 4.687 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 745 8.825 4.082 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 745 9.668 5.842 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 745 10.794 5.599 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 745 8.389 6.165 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 745 8.342 7.209 -3.425 1.00 0.00 H new ATOM 1434 N TYR A 746 10.569 2.813 -2.000 1.00 0.00 N ATOM 1435 CA TYR A 746 11.604 1.834 -1.668 1.00 0.00 C ATOM 1436 C TYR A 746 11.235 0.453 -2.206 1.00 0.00 C ATOM 1437 O TYR A 746 12.090 -0.271 -2.717 1.00 0.00 O ATOM 1438 CB TYR A 746 11.808 1.762 -0.152 1.00 0.00 C ATOM 1439 CG TYR A 746 13.199 1.325 0.262 1.00 0.00 C ATOM 1440 CD1 TYR A 746 13.528 -0.023 0.361 1.00 0.00 C ATOM 1441 CD2 TYR A 746 14.180 2.263 0.558 1.00 0.00 C ATOM 1442 CE1 TYR A 746 14.795 -0.421 0.746 1.00 0.00 C ATOM 1443 CE2 TYR A 746 15.449 1.870 0.942 1.00 0.00 C ATOM 1444 CZ TYR A 746 15.752 0.529 1.034 1.00 0.00 C ATOM 1445 OH TYR A 746 17.015 0.134 1.420 1.00 0.00 O ATOM 0 H TYR A 746 10.087 3.207 -1.192 1.00 0.00 H new ATOM 0 HA TYR A 746 12.534 2.155 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 746 11.603 2.742 0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 746 11.080 1.069 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 746 12.782 -0.770 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 746 13.948 3.315 0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 746 15.034 -1.472 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 746 16.200 2.612 1.169 1.00 0.00 H new ATOM 0 HH TYR A 746 17.569 0.925 1.585 1.00 0.00 H new ATOM 1455 N TYR A 747 9.957 0.095 -2.090 1.00 0.00 N ATOM 1456 CA TYR A 747 9.479 -1.199 -2.567 1.00 0.00 C ATOM 1457 C TYR A 747 9.232 -1.184 -4.077 1.00 0.00 C ATOM 1458 O TYR A 747 9.190 -2.239 -4.710 1.00 0.00 O ATOM 1459 CB TYR A 747 8.199 -1.601 -1.833 1.00 0.00 C ATOM 1460 CG TYR A 747 8.451 -2.292 -0.510 1.00 0.00 C ATOM 1461 CD1 TYR A 747 8.991 -1.599 0.566 1.00 0.00 C ATOM 1462 CD2 TYR A 747 8.150 -3.639 -0.339 1.00 0.00 C ATOM 1463 CE1 TYR A 747 9.225 -2.227 1.774 1.00 0.00 C ATOM 1464 CE2 TYR A 747 8.383 -4.273 0.868 1.00 0.00 C ATOM 1465 CZ TYR A 747 8.919 -3.563 1.921 1.00 0.00 C ATOM 1466 OH TYR A 747 9.149 -4.189 3.123 1.00 0.00 O ATOM 0 H TYR A 747 9.236 0.682 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 747 10.257 -1.933 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 747 7.595 -0.711 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 747 7.615 -2.262 -2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 747 9.232 -0.552 0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 747 7.728 -4.198 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 747 9.646 -1.673 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 747 8.146 -5.320 0.985 1.00 0.00 H new ATOM 0 HH TYR A 747 9.061 -3.540 3.852 1.00 0.00 H new ATOM 1476 N GLN A 748 9.078 0.011 -4.654 1.00 0.00 N ATOM 1477 CA GLN A 748 8.850 0.141 -6.093 1.00 0.00 C ATOM 1478 C GLN A 748 9.932 -0.597 -6.878 1.00 0.00 C ATOM 1479 O GLN A 748 9.658 -1.182 -7.926 1.00 0.00 O ATOM 1480 CB GLN A 748 8.818 1.615 -6.507 1.00 0.00 C ATOM 1481 CG GLN A 748 7.418 2.208 -6.548 1.00 0.00 C ATOM 1482 CD GLN A 748 7.342 3.481 -7.369 1.00 0.00 C ATOM 1483 OE1 GLN A 748 8.244 4.317 -7.324 1.00 0.00 O ATOM 1484 NE2 GLN A 748 6.260 3.638 -8.125 1.00 0.00 N ATOM 0 H GLN A 748 9.107 0.897 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 748 7.883 -0.307 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 748 9.427 2.192 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 748 9.275 1.717 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 748 6.729 1.472 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 748 7.087 2.417 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 748 5.535 2.920 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 748 6.155 4.476 -8.697 1.00 0.00 H new ATOM 1493 N CYS A 749 11.159 -0.570 -6.358 1.00 0.00 N ATOM 1494 CA CYS A 749 12.281 -1.243 -7.003 1.00 0.00 C ATOM 1495 C CYS A 749 12.848 -2.355 -6.111 1.00 0.00 C ATOM 1496 O CYS A 749 14.022 -2.714 -6.225 1.00 0.00 O ATOM 1497 CB CYS A 749 13.376 -0.229 -7.346 1.00 0.00 C ATOM 1498 SG CYS A 749 14.204 -0.539 -8.924 1.00 0.00 S ATOM 0 H CYS A 749 11.399 -0.088 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 749 11.918 -1.702 -7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 749 12.938 0.769 -7.368 1.00 0.00 H new ATOM 0 HB3 CYS A 749 14.121 -0.232 -6.550 1.00 0.00 H new ATOM 0 HG CYS A 749 15.110 0.371 -9.125 1.00 0.00 H new ATOM 1504 N HIS A 750 12.008 -2.902 -5.226 1.00 0.00 N ATOM 1505 CA HIS A 750 12.432 -3.973 -4.327 1.00 0.00 C ATOM 1506 C HIS A 750 11.312 -4.995 -4.137 1.00 0.00 C ATOM 1507 O HIS A 750 10.220 -4.651 -3.686 1.00 0.00 O ATOM 1508 CB HIS A 750 12.851 -3.391 -2.972 1.00 0.00 C ATOM 1509 CG HIS A 750 14.056 -4.051 -2.375 1.00 0.00 C ATOM 1510 ND1 HIS A 750 14.885 -3.416 -1.476 1.00 0.00 N ATOM 1511 CD2 HIS A 750 14.571 -5.292 -2.548 1.00 0.00 C ATOM 1512 CE1 HIS A 750 15.858 -4.236 -1.121 1.00 0.00 C ATOM 1513 NE2 HIS A 750 15.691 -5.380 -1.756 1.00 0.00 N ATOM 0 H HIS A 750 11.034 -2.620 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 750 13.287 -4.479 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 750 13.054 -2.327 -3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 750 12.017 -3.480 -2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 750 14.176 -6.067 -3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 750 16.655 -4.008 -0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 750 16.295 -6.198 -1.673 1.00 0.00 H new ATOM 1522 N SER A 751 11.592 -6.253 -4.487 1.00 0.00 N ATOM 1523 CA SER A 751 10.606 -7.331 -4.362 1.00 0.00 C ATOM 1524 C SER A 751 10.149 -7.506 -2.916 1.00 0.00 C ATOM 1525 O SER A 751 10.863 -7.144 -1.981 1.00 0.00 O ATOM 1526 CB SER A 751 11.182 -8.651 -4.889 1.00 0.00 C ATOM 1527 OG SER A 751 10.299 -9.264 -5.812 1.00 0.00 O ATOM 0 H SER A 751 12.494 -6.551 -4.859 1.00 0.00 H new ATOM 0 HA SER A 751 9.739 -7.053 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 751 12.143 -8.465 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 751 11.368 -9.328 -4.055 1.00 0.00 H new ATOM 0 HG SER A 751 10.816 -9.781 -6.465 1.00 0.00 H new ATOM 1533 N LEU A 752 8.953 -8.072 -2.743 1.00 0.00 N ATOM 1534 CA LEU A 752 8.399 -8.300 -1.410 1.00 0.00 C ATOM 1535 C LEU A 752 8.811 -9.665 -0.844 1.00 0.00 C ATOM 1536 O LEU A 752 8.186 -10.161 0.094 1.00 0.00 O ATOM 1537 CB LEU A 752 6.870 -8.195 -1.444 1.00 0.00 C ATOM 1538 CG LEU A 752 6.314 -6.773 -1.323 1.00 0.00 C ATOM 1539 CD1 LEU A 752 5.128 -6.584 -2.257 1.00 0.00 C ATOM 1540 CD2 LEU A 752 5.917 -6.477 0.117 1.00 0.00 C ATOM 0 H LEU A 752 8.352 -8.380 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 752 8.804 -7.529 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 752 6.512 -8.630 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 752 6.462 -8.798 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 752 7.095 -6.070 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 752 4.745 -5.568 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 752 5.445 -6.754 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 752 4.343 -7.294 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 752 5.524 -5.463 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 752 5.152 -7.185 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 752 6.791 -6.572 0.762 1.00 0.00 H new ATOM 1552 N LYS A 753 9.863 -10.267 -1.407 1.00 0.00 N ATOM 1553 CA LYS A 753 10.343 -11.569 -0.937 1.00 0.00 C ATOM 1554 C LYS A 753 11.005 -11.452 0.436 1.00 0.00 C ATOM 1555 O LYS A 753 10.899 -12.362 1.261 1.00 0.00 O ATOM 1556 CB LYS A 753 11.331 -12.176 -1.940 1.00 0.00 C ATOM 1557 CG LYS A 753 12.588 -11.344 -2.153 1.00 0.00 C ATOM 1558 CD LYS A 753 13.452 -11.920 -3.266 1.00 0.00 C ATOM 1559 CE LYS A 753 14.003 -10.827 -4.169 1.00 0.00 C ATOM 1560 NZ LYS A 753 13.954 -11.214 -5.608 1.00 0.00 N ATOM 0 H LYS A 753 10.395 -9.876 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 753 9.478 -12.226 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 753 11.619 -13.169 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 753 10.827 -12.305 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 753 12.311 -10.319 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 753 13.162 -11.306 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 753 14.277 -12.485 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 753 12.864 -12.620 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 753 13.431 -9.911 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 753 15.033 -10.609 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 14.177 -10.387 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 14.649 -11.966 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 13.001 -11.560 -5.842 1.00 0.00 H new ATOM 1574 N GLU A 754 11.692 -10.334 0.673 1.00 0.00 N ATOM 1575 CA GLU A 754 12.374 -10.105 1.947 1.00 0.00 C ATOM 1576 C GLU A 754 11.387 -10.117 3.113 1.00 0.00 C ATOM 1577 O GLU A 754 11.695 -10.627 4.189 1.00 0.00 O ATOM 1578 CB GLU A 754 13.131 -8.774 1.916 1.00 0.00 C ATOM 1579 CG GLU A 754 14.437 -8.837 1.137 1.00 0.00 C ATOM 1580 CD GLU A 754 15.613 -8.247 1.896 1.00 0.00 C ATOM 1581 OE1 GLU A 754 15.715 -8.480 3.119 1.00 0.00 O ATOM 1582 OE2 GLU A 754 16.437 -7.554 1.261 1.00 0.00 O ATOM 0 H GLU A 754 11.791 -9.574 0.000 1.00 0.00 H new ATOM 0 HA GLU A 754 13.086 -10.917 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 754 12.490 -8.011 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 754 13.342 -8.461 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 754 14.656 -9.876 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 754 14.317 -8.304 0.194 1.00 0.00 H new ATOM 1589 N SER A 755 10.201 -9.560 2.887 1.00 0.00 N ATOM 1590 CA SER A 755 9.168 -9.517 3.919 1.00 0.00 C ATOM 1591 C SER A 755 8.222 -10.711 3.797 1.00 0.00 C ATOM 1592 O SER A 755 7.773 -11.260 4.803 1.00 0.00 O ATOM 1593 CB SER A 755 8.376 -8.212 3.830 1.00 0.00 C ATOM 1594 OG SER A 755 9.208 -7.094 4.078 1.00 0.00 O ATOM 0 H SER A 755 9.931 -9.133 2.001 1.00 0.00 H new ATOM 0 HA SER A 755 9.662 -9.566 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 755 7.926 -8.122 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 755 7.559 -8.229 4.551 1.00 0.00 H new ATOM 0 HG SER A 755 8.868 -6.317 3.587 1.00 0.00 H new ATOM 1600 N PHE A 756 7.923 -11.106 2.561 1.00 0.00 N ATOM 1601 CA PHE A 756 7.031 -12.233 2.307 1.00 0.00 C ATOM 1602 C PHE A 756 7.688 -13.242 1.367 1.00 0.00 C ATOM 1603 O PHE A 756 7.698 -13.052 0.150 1.00 0.00 O ATOM 1604 CB PHE A 756 5.715 -11.737 1.703 1.00 0.00 C ATOM 1605 CG PHE A 756 4.737 -11.221 2.720 1.00 0.00 C ATOM 1606 CD1 PHE A 756 3.863 -12.085 3.360 1.00 0.00 C ATOM 1607 CD2 PHE A 756 4.689 -9.871 3.034 1.00 0.00 C ATOM 1608 CE1 PHE A 756 2.962 -11.613 4.295 1.00 0.00 C ATOM 1609 CE2 PHE A 756 3.789 -9.393 3.968 1.00 0.00 C ATOM 1610 CZ PHE A 756 2.925 -10.267 4.600 1.00 0.00 C ATOM 0 H PHE A 756 8.287 -10.660 1.719 1.00 0.00 H new ATOM 0 HA PHE A 756 6.825 -12.728 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 756 5.931 -10.945 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 756 5.251 -12.552 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 756 3.886 -13.139 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 756 5.363 -9.185 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 756 2.287 -12.297 4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 756 3.761 -8.339 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 756 2.222 -9.898 5.332 1.00 0.00 H new ATOM 1620 N LYS A 757 8.232 -14.315 1.939 1.00 0.00 N ATOM 1621 CA LYS A 757 8.889 -15.357 1.148 1.00 0.00 C ATOM 1622 C LYS A 757 7.951 -15.929 0.084 1.00 0.00 C ATOM 1623 O LYS A 757 8.401 -16.375 -0.972 1.00 0.00 O ATOM 1624 CB LYS A 757 9.393 -16.484 2.054 1.00 0.00 C ATOM 1625 CG LYS A 757 8.346 -17.017 3.023 1.00 0.00 C ATOM 1626 CD LYS A 757 8.856 -18.231 3.778 1.00 0.00 C ATOM 1627 CE LYS A 757 8.517 -19.525 3.050 1.00 0.00 C ATOM 1628 NZ LYS A 757 7.302 -20.184 3.612 1.00 0.00 N ATOM 0 H LYS A 757 8.232 -14.486 2.944 1.00 0.00 H new ATOM 0 HA LYS A 757 9.738 -14.896 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 757 9.748 -17.305 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 757 10.249 -16.123 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 757 8.072 -16.235 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 757 7.442 -17.281 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 757 9.936 -18.155 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 757 8.420 -18.249 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 757 8.358 -19.314 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 757 9.363 -20.209 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 757 7.108 -21.060 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 757 7.462 -20.409 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 757 6.488 -19.542 3.527 1.00 0.00 H new ATOM 1642 N GLN A 758 6.647 -15.916 0.368 1.00 0.00 N ATOM 1643 CA GLN A 758 5.650 -16.435 -0.564 1.00 0.00 C ATOM 1644 C GLN A 758 5.125 -15.342 -1.504 1.00 0.00 C ATOM 1645 O GLN A 758 4.106 -15.531 -2.173 1.00 0.00 O ATOM 1646 CB GLN A 758 4.482 -17.055 0.209 1.00 0.00 C ATOM 1647 CG GLN A 758 4.731 -18.485 0.664 1.00 0.00 C ATOM 1648 CD GLN A 758 5.081 -19.414 -0.484 1.00 0.00 C ATOM 1649 OE1 GLN A 758 4.197 -19.954 -1.150 1.00 0.00 O ATOM 1650 NE2 GLN A 758 6.374 -19.606 -0.721 1.00 0.00 N ATOM 0 H GLN A 758 6.259 -15.551 1.238 1.00 0.00 H new ATOM 0 HA GLN A 758 6.135 -17.197 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 758 4.270 -16.438 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 758 3.592 -17.034 -0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 758 5.542 -18.494 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 758 3.842 -18.860 1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 758 7.073 -19.138 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 758 6.668 -20.221 -1.480 1.00 0.00 H new ATOM 1659 N LEU A 759 5.815 -14.200 -1.555 1.00 0.00 N ATOM 1660 CA LEU A 759 5.402 -13.096 -2.416 1.00 0.00 C ATOM 1661 C LEU A 759 6.611 -12.391 -3.026 1.00 0.00 C ATOM 1662 O LEU A 759 7.333 -11.671 -2.334 1.00 0.00 O ATOM 1663 CB LEU A 759 4.566 -12.092 -1.618 1.00 0.00 C ATOM 1664 CG LEU A 759 3.619 -11.233 -2.458 1.00 0.00 C ATOM 1665 CD1 LEU A 759 2.292 -11.947 -2.666 1.00 0.00 C ATOM 1666 CD2 LEU A 759 3.405 -9.879 -1.799 1.00 0.00 C ATOM 0 H LEU A 759 6.659 -14.019 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 759 4.800 -13.507 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 759 3.980 -12.636 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 759 5.240 -11.434 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 759 4.074 -11.070 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 759 1.632 -11.320 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 759 2.464 -12.891 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 759 1.828 -12.142 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 759 2.729 -9.280 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 759 2.971 -10.021 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 759 4.361 -9.365 -1.706 1.00 0.00 H new ATOM 1678 N ASP A 760 6.823 -12.594 -4.327 1.00 0.00 N ATOM 1679 CA ASP A 760 7.942 -11.965 -5.025 1.00 0.00 C ATOM 1680 C ASP A 760 7.439 -11.000 -6.096 1.00 0.00 C ATOM 1681 O ASP A 760 7.562 -11.259 -7.296 1.00 0.00 O ATOM 1682 CB ASP A 760 8.856 -13.022 -5.656 1.00 0.00 C ATOM 1683 CG ASP A 760 10.170 -12.426 -6.130 1.00 0.00 C ATOM 1684 OD1 ASP A 760 10.963 -11.979 -5.277 1.00 0.00 O ATOM 1685 OD2 ASP A 760 10.404 -12.404 -7.355 1.00 0.00 O ATOM 0 H ASP A 760 6.237 -13.186 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 760 8.518 -11.402 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 760 9.056 -13.809 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 760 8.344 -13.488 -6.498 1.00 0.00 H new ATOM 1690 N THR A 761 6.871 -9.884 -5.652 1.00 0.00 N ATOM 1691 CA THR A 761 6.348 -8.876 -6.568 1.00 0.00 C ATOM 1692 C THR A 761 6.545 -7.466 -6.012 1.00 0.00 C ATOM 1693 O THR A 761 6.933 -7.292 -4.854 1.00 0.00 O ATOM 1694 CB THR A 761 4.862 -9.136 -6.838 1.00 0.00 C ATOM 1695 OG1 THR A 761 4.345 -8.192 -7.759 1.00 0.00 O ATOM 1696 CG2 THR A 761 4.007 -9.081 -5.589 1.00 0.00 C ATOM 0 H THR A 761 6.761 -9.654 -4.664 1.00 0.00 H new ATOM 0 HA THR A 761 6.902 -8.947 -7.504 1.00 0.00 H new ATOM 0 HB THR A 761 4.815 -10.146 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 761 3.755 -8.646 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 761 2.967 -9.274 -5.851 1.00 0.00 H new ATOM 0 HG22 THR A 761 4.348 -9.836 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 761 4.090 -8.094 -5.135 1.00 0.00 H new ATOM 1704 N THR A 762 6.273 -6.466 -6.849 1.00 0.00 N ATOM 1705 CA THR A 762 6.416 -5.064 -6.456 1.00 0.00 C ATOM 1706 C THR A 762 5.259 -4.224 -7.007 1.00 0.00 C ATOM 1707 O THR A 762 4.258 -4.764 -7.483 1.00 0.00 O ATOM 1708 CB THR A 762 7.759 -4.505 -6.955 1.00 0.00 C ATOM 1709 OG1 THR A 762 7.737 -4.317 -8.361 1.00 0.00 O ATOM 1710 CG2 THR A 762 8.949 -5.386 -6.630 1.00 0.00 C ATOM 0 H THR A 762 5.951 -6.601 -7.807 1.00 0.00 H new ATOM 0 HA THR A 762 6.393 -5.011 -5.368 1.00 0.00 H new ATOM 0 HB THR A 762 7.880 -3.559 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 762 8.600 -3.959 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 762 9.859 -4.925 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 762 9.030 -5.504 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 762 8.815 -6.364 -7.092 1.00 0.00 H new ATOM 1718 N LEU A 763 5.408 -2.897 -6.950 1.00 0.00 N ATOM 1719 CA LEU A 763 4.385 -1.984 -7.457 1.00 0.00 C ATOM 1720 C LEU A 763 4.586 -1.759 -8.958 1.00 0.00 C ATOM 1721 O LEU A 763 5.265 -0.817 -9.368 1.00 0.00 O ATOM 1722 CB LEU A 763 4.438 -0.640 -6.710 1.00 0.00 C ATOM 1723 CG LEU A 763 4.285 -0.713 -5.181 1.00 0.00 C ATOM 1724 CD1 LEU A 763 3.154 -1.652 -4.789 1.00 0.00 C ATOM 1725 CD2 LEU A 763 5.593 -1.144 -4.528 1.00 0.00 C ATOM 0 H LEU A 763 6.228 -2.434 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 763 3.406 -2.432 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 763 5.388 -0.157 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 763 3.651 0.003 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 763 4.034 0.285 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 763 3.068 -1.685 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 763 2.218 -1.292 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 763 3.364 -2.653 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 763 5.462 -1.189 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 763 5.879 -2.128 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 763 6.375 -0.424 -4.769 1.00 0.00 H new ATOM 1737 N LYS A 764 4.006 -2.646 -9.768 1.00 0.00 N ATOM 1738 CA LYS A 764 4.137 -2.561 -11.224 1.00 0.00 C ATOM 1739 C LYS A 764 3.327 -1.399 -11.799 1.00 0.00 C ATOM 1740 O LYS A 764 3.897 -0.424 -12.292 1.00 0.00 O ATOM 1741 CB LYS A 764 3.700 -3.876 -11.880 1.00 0.00 C ATOM 1742 CG LYS A 764 4.420 -5.103 -11.342 1.00 0.00 C ATOM 1743 CD LYS A 764 4.513 -6.197 -12.394 1.00 0.00 C ATOM 1744 CE LYS A 764 4.931 -7.524 -11.784 1.00 0.00 C ATOM 1745 NZ LYS A 764 4.939 -8.624 -12.789 1.00 0.00 N ATOM 0 H LYS A 764 3.442 -3.430 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 764 5.189 -2.380 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 764 2.627 -4.004 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 764 3.871 -3.809 -12.954 1.00 0.00 H new ATOM 0 HG2 LYS A 764 5.422 -4.825 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 764 3.892 -5.482 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 764 3.548 -6.311 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 764 5.231 -5.906 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 764 5.925 -7.425 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 764 4.250 -7.780 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 5.230 -9.511 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 3.985 -8.737 -13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 5.608 -8.393 -13.551 1.00 0.00 H new ATOM 1759 N TYR A 765 1.998 -1.509 -11.750 1.00 0.00 N ATOM 1760 CA TYR A 765 1.124 -0.464 -12.287 1.00 0.00 C ATOM 1761 C TYR A 765 -0.030 -0.159 -11.334 1.00 0.00 C ATOM 1762 O TYR A 765 -0.543 -1.055 -10.665 1.00 0.00 O ATOM 1763 CB TYR A 765 0.560 -0.879 -13.655 1.00 0.00 C ATOM 1764 CG TYR A 765 1.484 -1.763 -14.468 1.00 0.00 C ATOM 1765 CD1 TYR A 765 2.413 -1.214 -15.343 1.00 0.00 C ATOM 1766 CD2 TYR A 765 1.421 -3.147 -14.361 1.00 0.00 C ATOM 1767 CE1 TYR A 765 3.254 -2.019 -16.086 1.00 0.00 C ATOM 1768 CE2 TYR A 765 2.259 -3.959 -15.102 1.00 0.00 C ATOM 1769 CZ TYR A 765 3.174 -3.390 -15.963 1.00 0.00 C ATOM 1770 OH TYR A 765 4.011 -4.196 -16.700 1.00 0.00 O ATOM 0 H TYR A 765 1.506 -2.306 -11.347 1.00 0.00 H new ATOM 0 HA TYR A 765 1.728 0.436 -12.402 1.00 0.00 H new ATOM 0 HB2 TYR A 765 -0.384 -1.403 -13.502 1.00 0.00 H new ATOM 0 HB3 TYR A 765 0.336 0.019 -14.230 1.00 0.00 H new ATOM 0 HD1 TYR A 765 2.479 -0.141 -15.444 1.00 0.00 H new ATOM 0 HD2 TYR A 765 0.706 -3.596 -13.688 1.00 0.00 H new ATOM 0 HE1 TYR A 765 3.972 -1.576 -16.761 1.00 0.00 H new ATOM 0 HE2 TYR A 765 2.198 -5.033 -15.007 1.00 0.00 H new ATOM 0 HH TYR A 765 3.825 -5.136 -16.494 1.00 0.00 H new ATOM 1780 N PRO A 766 -0.460 1.119 -11.270 1.00 0.00 N ATOM 1781 CA PRO A 766 -1.568 1.540 -10.402 1.00 0.00 C ATOM 1782 C PRO A 766 -2.908 0.962 -10.858 1.00 0.00 C ATOM 1783 O PRO A 766 -2.954 0.092 -11.730 1.00 0.00 O ATOM 1784 CB PRO A 766 -1.565 3.068 -10.535 1.00 0.00 C ATOM 1785 CG PRO A 766 -0.933 3.330 -11.857 1.00 0.00 C ATOM 1786 CD PRO A 766 0.094 2.250 -12.040 1.00 0.00 C ATOM 0 HA PRO A 766 -1.442 1.192 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -2.577 3.471 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -1.002 3.535 -9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -1.674 3.305 -12.656 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -0.471 4.317 -11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 766 0.226 1.994 -13.091 1.00 0.00 H new ATOM 0 HD3 PRO A 766 1.070 2.555 -11.661 1.00 0.00 H new ATOM 1794 N TYR A 767 -3.995 1.450 -10.265 1.00 0.00 N ATOM 1795 CA TYR A 767 -5.334 0.980 -10.613 1.00 0.00 C ATOM 1796 C TYR A 767 -6.153 2.074 -11.311 1.00 0.00 C ATOM 1797 O TYR A 767 -7.386 2.039 -11.295 1.00 0.00 O ATOM 1798 CB TYR A 767 -6.059 0.482 -9.353 1.00 0.00 C ATOM 1799 CG TYR A 767 -6.680 1.586 -8.516 1.00 0.00 C ATOM 1800 CD1 TYR A 767 -5.891 2.475 -7.794 1.00 0.00 C ATOM 1801 CD2 TYR A 767 -8.059 1.736 -8.455 1.00 0.00 C ATOM 1802 CE1 TYR A 767 -6.460 3.479 -7.035 1.00 0.00 C ATOM 1803 CE2 TYR A 767 -8.635 2.738 -7.700 1.00 0.00 C ATOM 1804 CZ TYR A 767 -7.833 3.607 -6.992 1.00 0.00 C ATOM 1805 OH TYR A 767 -8.406 4.605 -6.241 1.00 0.00 O ATOM 0 H TYR A 767 -3.975 2.170 -9.542 1.00 0.00 H new ATOM 0 HA TYR A 767 -5.230 0.153 -11.315 1.00 0.00 H new ATOM 0 HB2 TYR A 767 -6.841 -0.217 -9.650 1.00 0.00 H new ATOM 0 HB3 TYR A 767 -5.352 -0.073 -8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 767 -4.816 2.379 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 767 -8.692 1.057 -9.008 1.00 0.00 H new ATOM 0 HE1 TYR A 767 -5.834 4.160 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 767 -9.710 2.841 -7.664 1.00 0.00 H new ATOM 0 HH TYR A 767 -7.715 5.241 -5.961 1.00 0.00 H new