USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 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 592 HIS : no HE2:sc= 0.241 K(o=0.6,f=-1.2) USER MOD Set 1.2: A 640 TYR OH : rot 84:sc= 0.356 USER MOD Set 2.1: A 631 TYR OH : rot 120:sc= 0.734 USER MOD Set 2.2: A 656 LYS NZ :NH3+ -171:sc= 2.69 (180deg=1.74) USER MOD Single : A 589 LYS NZ :NH3+ 134:sc= 0.388 (180deg=-0.312) USER MOD Single : A 594 HIS : +bothHN:sc= 1.52 K(o=1.5,f=-6.5!) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 GLN : amide:sc= -0.495! C(o=-0.49!,f=-14!) USER MOD Single : A 601 SER OG : rot 20:sc= 0.446 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 167:sc= -0.0472 (180deg=-0.314) USER MOD Single : A 609 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 614 THR OG1 : rot 47:sc= 0.395 USER MOD Single : A 621 LYS NZ :NH3+ -110:sc= 0.1 (180deg=-0.276) USER MOD Single : A 625 MET CE :methyl -162:sc= -0.243 (180deg=-0.461) USER MOD Single : A 627 ASN :FLIP amide:sc=-0.00403 F(o=-0.78,f=-0.004) USER MOD Single : A 633 LYS NZ :NH3+ 155:sc= -0.212 (180deg=-0.838) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 159:sc= -0.0473 (180deg=-0.891) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-4.2!) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 120:sc= -0.0579 USER MOD Single : A 650 TYR OH : rot 15:sc= -1.05 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.1) USER MOD Single : A 662 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.03) USER MOD Single : A 667 LYS NZ :NH3+ 149:sc= 1.3 (180deg=0.356) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 843 ASN :FLIP amide:sc= -0.0383 F(o=-1.3!,f=-0.038) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl -113:sc= -0.579 (180deg=-1.78!) USER MOD Single : B 855 LYS NZ :NH3+ 167:sc= -0.0443 (180deg=-0.243) USER MOD Single : B 856 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.3!) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 30.938 -7.980 3.822 1.00 0.00 N ATOM 2 CA GLY A 586 30.166 -9.198 3.647 1.00 0.00 C ATOM 3 C GLY A 586 28.691 -9.025 3.898 1.00 0.00 C ATOM 4 O GLY A 586 27.861 -9.656 3.238 1.00 0.00 O ATOM 0 HA2 GLY A 586 30.311 -9.566 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 586 30.553 -9.962 4.322 1.00 0.00 H new ATOM 8 N VAL A 587 28.406 -8.232 4.917 1.00 0.00 N ATOM 9 CA VAL A 587 27.034 -7.912 5.339 1.00 0.00 C ATOM 10 C VAL A 587 26.069 -7.805 4.152 1.00 0.00 C ATOM 11 O VAL A 587 26.403 -7.243 3.106 1.00 0.00 O ATOM 12 CB VAL A 587 26.964 -6.608 6.159 1.00 0.00 C ATOM 13 CG1 VAL A 587 27.787 -6.738 7.427 1.00 0.00 C ATOM 14 CG2 VAL A 587 27.419 -5.411 5.337 1.00 0.00 C ATOM 0 H VAL A 587 29.122 -7.782 5.487 1.00 0.00 H new ATOM 0 HA VAL A 587 26.726 -8.745 5.971 1.00 0.00 H new ATOM 0 HB VAL A 587 25.924 -6.438 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 587 27.728 -5.810 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 587 27.399 -7.559 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 587 28.826 -6.939 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 587 27.357 -4.508 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 587 28.449 -5.562 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 587 26.777 -5.305 4.463 1.00 0.00 H new ATOM 24 N ARG A 588 24.866 -8.338 4.320 1.00 0.00 N ATOM 25 CA ARG A 588 23.939 -8.468 3.209 1.00 0.00 C ATOM 26 C ARG A 588 22.790 -7.476 3.315 1.00 0.00 C ATOM 27 O ARG A 588 22.006 -7.327 2.376 1.00 0.00 O ATOM 28 CB ARG A 588 23.411 -9.917 3.123 1.00 0.00 C ATOM 29 CG ARG A 588 22.549 -10.381 4.302 1.00 0.00 C ATOM 30 CD ARG A 588 21.097 -9.949 4.161 1.00 0.00 C ATOM 31 NE ARG A 588 20.279 -10.394 5.287 1.00 0.00 N ATOM 32 CZ ARG A 588 18.961 -10.588 5.222 1.00 0.00 C ATOM 33 NH1 ARG A 588 18.303 -10.365 4.089 1.00 0.00 N ATOM 34 NH2 ARG A 588 18.299 -10.994 6.295 1.00 0.00 N ATOM 0 H ARG A 588 24.512 -8.685 5.212 1.00 0.00 H new ATOM 0 HA ARG A 588 24.480 -8.236 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 588 22.827 -10.018 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 588 24.264 -10.590 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 588 22.597 -11.467 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 588 22.957 -9.978 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 588 21.048 -8.863 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 588 20.688 -10.352 3.235 1.00 0.00 H new ATOM 0 HE ARG A 588 20.745 -10.567 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 588 18.806 -10.043 3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 588 17.295 -10.515 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 588 18.797 -11.158 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 588 17.291 -11.143 6.246 1.00 0.00 H new ATOM 48 N LYS A 589 22.680 -6.789 4.443 1.00 0.00 N ATOM 49 CA LYS A 589 21.595 -5.835 4.628 1.00 0.00 C ATOM 50 C LYS A 589 22.090 -4.436 4.283 1.00 0.00 C ATOM 51 O LYS A 589 23.024 -3.917 4.894 1.00 0.00 O ATOM 52 CB LYS A 589 21.013 -5.929 6.061 1.00 0.00 C ATOM 53 CG LYS A 589 20.155 -4.747 6.497 1.00 0.00 C ATOM 54 CD LYS A 589 20.962 -3.703 7.256 1.00 0.00 C ATOM 55 CE LYS A 589 20.062 -2.648 7.881 1.00 0.00 C ATOM 56 NZ LYS A 589 19.179 -3.216 8.938 1.00 0.00 N ATOM 0 H LYS A 589 23.319 -6.872 5.234 1.00 0.00 H new ATOM 0 HA LYS A 589 20.774 -6.075 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 589 20.414 -6.837 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 589 21.839 -6.036 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 589 19.701 -4.286 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 589 19.341 -5.104 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 589 21.548 -4.191 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 589 21.669 -3.224 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 589 20.677 -1.857 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 589 19.449 -2.190 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 19.197 -2.598 9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 18.206 -3.283 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 19.517 -4.164 9.201 1.00 0.00 H new ATOM 70 N GLY A 590 21.468 -3.857 3.268 1.00 0.00 N ATOM 71 CA GLY A 590 21.874 -2.572 2.752 1.00 0.00 C ATOM 72 C GLY A 590 20.971 -2.168 1.609 1.00 0.00 C ATOM 73 O GLY A 590 21.378 -2.144 0.452 1.00 0.00 O ATOM 0 H GLY A 590 20.670 -4.269 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 590 21.832 -1.823 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 590 22.908 -2.618 2.411 1.00 0.00 H new ATOM 77 N TRP A 591 19.724 -1.898 1.948 1.00 0.00 N ATOM 78 CA TRP A 591 18.671 -1.669 0.972 1.00 0.00 C ATOM 79 C TRP A 591 18.970 -0.491 0.065 1.00 0.00 C ATOM 80 O TRP A 591 18.749 -0.560 -1.140 1.00 0.00 O ATOM 81 CB TRP A 591 17.364 -1.443 1.719 1.00 0.00 C ATOM 82 CG TRP A 591 17.124 -2.531 2.704 1.00 0.00 C ATOM 83 CD1 TRP A 591 17.032 -3.848 2.416 1.00 0.00 C ATOM 84 CD2 TRP A 591 16.972 -2.413 4.122 1.00 0.00 C ATOM 85 NE1 TRP A 591 16.848 -4.571 3.558 1.00 0.00 N ATOM 86 CE2 TRP A 591 16.789 -3.714 4.625 1.00 0.00 C ATOM 87 CE3 TRP A 591 16.968 -1.340 5.012 1.00 0.00 C ATOM 88 CZ2 TRP A 591 16.607 -3.967 5.981 1.00 0.00 C ATOM 89 CZ3 TRP A 591 16.785 -1.593 6.356 1.00 0.00 C ATOM 90 CH2 TRP A 591 16.606 -2.896 6.829 1.00 0.00 C ATOM 0 H TRP A 591 19.409 -1.831 2.916 1.00 0.00 H new ATOM 0 HA TRP A 591 18.599 -2.546 0.328 1.00 0.00 H new ATOM 0 HB2 TRP A 591 17.395 -0.482 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 591 16.537 -1.399 1.010 1.00 0.00 H new ATOM 0 HD1 TRP A 591 17.095 -4.268 1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 591 16.767 -5.587 3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 591 17.106 -0.330 4.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 16.472 -4.973 6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 16.780 -0.770 7.055 1.00 0.00 H new ATOM 0 HH2 TRP A 591 16.464 -3.060 7.887 1.00 0.00 H new ATOM 101 N HIS A 592 19.504 0.571 0.643 1.00 0.00 N ATOM 102 CA HIS A 592 19.679 1.831 -0.082 1.00 0.00 C ATOM 103 C HIS A 592 20.623 1.708 -1.289 1.00 0.00 C ATOM 104 O HIS A 592 20.607 2.564 -2.173 1.00 0.00 O ATOM 105 CB HIS A 592 20.160 2.952 0.857 1.00 0.00 C ATOM 106 CG HIS A 592 19.083 3.497 1.748 1.00 0.00 C ATOM 107 ND1 HIS A 592 19.342 4.086 2.964 1.00 0.00 N ATOM 108 CD2 HIS A 592 17.740 3.555 1.586 1.00 0.00 C ATOM 109 CE1 HIS A 592 18.209 4.478 3.512 1.00 0.00 C ATOM 110 NE2 HIS A 592 17.219 4.170 2.698 1.00 0.00 N ATOM 0 H HIS A 592 19.826 0.592 1.611 1.00 0.00 H new ATOM 0 HA HIS A 592 18.695 2.090 -0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 592 20.973 2.572 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 592 20.569 3.765 0.258 1.00 0.00 H new ATOM 0 HD1 HIS A 592 20.267 4.201 3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 592 17.181 3.186 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 592 18.109 4.970 4.468 1.00 0.00 H new ATOM 119 N GLU A 593 21.436 0.653 -1.341 1.00 0.00 N ATOM 120 CA GLU A 593 22.401 0.502 -2.430 1.00 0.00 C ATOM 121 C GLU A 593 21.845 -0.291 -3.632 1.00 0.00 C ATOM 122 O GLU A 593 22.418 -0.254 -4.720 1.00 0.00 O ATOM 123 CB GLU A 593 23.684 -0.121 -1.883 1.00 0.00 C ATOM 124 CG GLU A 593 23.563 -1.573 -1.461 1.00 0.00 C ATOM 125 CD GLU A 593 24.076 -2.531 -2.508 1.00 0.00 C ATOM 126 OE1 GLU A 593 25.276 -2.454 -2.855 1.00 0.00 O ATOM 127 OE2 GLU A 593 23.294 -3.380 -2.972 1.00 0.00 O ATOM 0 H GLU A 593 21.447 -0.100 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 593 22.619 1.495 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 593 24.461 -0.043 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 593 24.017 0.464 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 593 24.116 -1.725 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.518 -1.799 -1.249 1.00 0.00 H new ATOM 134 N HIS A 594 20.731 -0.992 -3.439 1.00 0.00 N ATOM 135 CA HIS A 594 20.085 -1.722 -4.542 1.00 0.00 C ATOM 136 C HIS A 594 18.582 -1.452 -4.570 1.00 0.00 C ATOM 137 O HIS A 594 17.813 -2.169 -5.212 1.00 0.00 O ATOM 138 CB HIS A 594 20.374 -3.233 -4.491 1.00 0.00 C ATOM 139 CG HIS A 594 19.989 -3.911 -3.214 1.00 0.00 C ATOM 140 ND1 HIS A 594 20.873 -4.115 -2.187 1.00 0.00 N ATOM 141 CD2 HIS A 594 18.822 -4.467 -2.818 1.00 0.00 C ATOM 142 CE1 HIS A 594 20.273 -4.765 -1.213 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.021 -4.998 -1.566 1.00 0.00 N ATOM 0 H HIS A 594 20.255 -1.074 -2.540 1.00 0.00 H new ATOM 0 HA HIS A 594 20.519 -1.347 -5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.847 -3.716 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.439 -3.389 -4.660 1.00 0.00 H new ATOM 0 HD1 HIS A 594 21.846 -3.810 -2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 594 17.901 -4.490 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 594 20.729 -5.060 -0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.323 -5.487 -1.006 1.00 0.00 H new ATOM 152 N VAL A 595 18.189 -0.419 -3.850 1.00 0.00 N ATOM 153 CA VAL A 595 16.830 0.094 -3.876 1.00 0.00 C ATOM 154 C VAL A 595 16.891 1.608 -3.922 1.00 0.00 C ATOM 155 O VAL A 595 17.654 2.230 -3.180 1.00 0.00 O ATOM 156 CB VAL A 595 15.997 -0.352 -2.647 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.660 0.385 -2.589 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.767 -1.857 -2.664 1.00 0.00 C ATOM 0 H VAL A 595 18.809 0.094 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 595 16.334 -0.311 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 595 16.567 -0.097 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.098 0.051 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.839 1.458 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.088 0.172 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.180 -2.145 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.228 -2.133 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.727 -2.372 -2.642 1.00 0.00 H new ATOM 168 N THR A 596 16.100 2.195 -4.794 1.00 0.00 N ATOM 169 CA THR A 596 16.098 3.629 -4.965 1.00 0.00 C ATOM 170 C THR A 596 15.005 4.260 -4.110 1.00 0.00 C ATOM 171 O THR A 596 13.994 3.617 -3.816 1.00 0.00 O ATOM 172 CB THR A 596 15.916 4.005 -6.453 1.00 0.00 C ATOM 173 OG1 THR A 596 15.785 5.422 -6.614 1.00 0.00 O ATOM 174 CG2 THR A 596 14.705 3.309 -7.053 1.00 0.00 C ATOM 0 H THR A 596 15.447 1.696 -5.398 1.00 0.00 H new ATOM 0 HA THR A 596 17.062 4.017 -4.637 1.00 0.00 H new ATOM 0 HB THR A 596 16.809 3.671 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.673 5.634 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.604 3.594 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.833 2.229 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.808 3.605 -6.508 1.00 0.00 H new ATOM 182 N GLN A 597 15.219 5.501 -3.697 1.00 0.00 N ATOM 183 CA GLN A 597 14.253 6.220 -2.876 1.00 0.00 C ATOM 184 C GLN A 597 12.898 6.269 -3.574 1.00 0.00 C ATOM 185 O GLN A 597 11.849 6.095 -2.949 1.00 0.00 O ATOM 186 CB GLN A 597 14.760 7.638 -2.596 1.00 0.00 C ATOM 187 CG GLN A 597 13.843 8.459 -1.702 1.00 0.00 C ATOM 188 CD GLN A 597 13.753 7.923 -0.288 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.883 6.721 -0.050 1.00 0.00 O ATOM 190 NE2 GLN A 597 13.533 8.812 0.663 1.00 0.00 N ATOM 0 H GLN A 597 16.059 6.035 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 597 14.134 5.695 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.744 7.576 -2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.889 8.160 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 597 14.201 9.488 -1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.845 8.482 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 597 13.431 9.799 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 597 13.465 8.512 1.636 1.00 0.00 H new ATOM 199 N ASP A 598 12.955 6.486 -4.884 1.00 0.00 N ATOM 200 CA ASP A 598 11.765 6.570 -5.722 1.00 0.00 C ATOM 201 C ASP A 598 10.933 5.293 -5.647 1.00 0.00 C ATOM 202 O ASP A 598 9.707 5.354 -5.632 1.00 0.00 O ATOM 203 CB ASP A 598 12.155 6.858 -7.176 1.00 0.00 C ATOM 204 CG ASP A 598 10.964 6.856 -8.112 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.177 7.825 -8.080 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.810 5.888 -8.888 1.00 0.00 O ATOM 0 H ASP A 598 13.829 6.609 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 598 11.155 7.391 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.652 7.826 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.875 6.111 -7.509 1.00 0.00 H new ATOM 211 N LEU A 599 11.601 4.139 -5.603 1.00 0.00 N ATOM 212 CA LEU A 599 10.916 2.853 -5.599 1.00 0.00 C ATOM 213 C LEU A 599 9.905 2.769 -4.460 1.00 0.00 C ATOM 214 O LEU A 599 8.734 2.466 -4.683 1.00 0.00 O ATOM 215 CB LEU A 599 11.941 1.713 -5.463 1.00 0.00 C ATOM 216 CG LEU A 599 11.421 0.325 -5.823 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.085 0.275 -7.300 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.443 -0.746 -5.468 1.00 0.00 C ATOM 0 H LEU A 599 12.618 4.073 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 599 10.379 2.755 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.798 1.939 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.303 1.692 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 599 10.518 0.127 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.714 -0.717 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.319 1.018 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.980 0.489 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.049 -1.727 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.366 -0.564 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.646 -0.715 -4.398 1.00 0.00 H new ATOM 230 N ARG A 600 10.364 3.069 -3.252 1.00 0.00 N ATOM 231 CA ARG A 600 9.507 3.007 -2.070 1.00 0.00 C ATOM 232 C ARG A 600 8.294 3.928 -2.194 1.00 0.00 C ATOM 233 O ARG A 600 7.160 3.488 -2.008 1.00 0.00 O ATOM 234 CB ARG A 600 10.299 3.345 -0.806 1.00 0.00 C ATOM 235 CG ARG A 600 11.392 2.337 -0.494 1.00 0.00 C ATOM 236 CD ARG A 600 11.962 2.539 0.900 1.00 0.00 C ATOM 237 NE ARG A 600 12.664 3.814 1.046 1.00 0.00 N ATOM 238 CZ ARG A 600 13.114 4.279 2.211 1.00 0.00 C ATOM 239 NH1 ARG A 600 12.875 3.613 3.331 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.783 5.420 2.257 1.00 0.00 N ATOM 0 H ARG A 600 11.324 3.358 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 600 9.140 1.983 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.747 4.332 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.614 3.401 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.991 1.327 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.191 2.427 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.153 2.489 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.648 1.723 1.129 1.00 0.00 H new ATOM 0 HE ARG A 600 12.818 4.378 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 600 12.345 2.742 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 600 13.221 3.971 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.955 5.945 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 600 14.127 5.774 3.150 1.00 0.00 H new ATOM 254 N SER A 601 8.523 5.189 -2.539 1.00 0.00 N ATOM 255 CA SER A 601 7.433 6.147 -2.677 1.00 0.00 C ATOM 256 C SER A 601 6.495 5.747 -3.816 1.00 0.00 C ATOM 257 O SER A 601 5.273 5.898 -3.713 1.00 0.00 O ATOM 258 CB SER A 601 7.992 7.559 -2.881 1.00 0.00 C ATOM 259 OG SER A 601 9.061 7.551 -3.811 1.00 0.00 O ATOM 0 H SER A 601 9.450 5.571 -2.728 1.00 0.00 H new ATOM 0 HA SER A 601 6.847 6.144 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.201 8.220 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.337 7.959 -1.928 1.00 0.00 H new ATOM 0 HG SER A 601 9.016 6.736 -4.354 1.00 0.00 H new ATOM 265 N HIS A 602 7.077 5.241 -4.902 1.00 0.00 N ATOM 266 CA HIS A 602 6.300 4.778 -6.049 1.00 0.00 C ATOM 267 C HIS A 602 5.315 3.694 -5.615 1.00 0.00 C ATOM 268 O HIS A 602 4.128 3.753 -5.933 1.00 0.00 O ATOM 269 CB HIS A 602 7.224 4.223 -7.140 1.00 0.00 C ATOM 270 CG HIS A 602 6.584 4.131 -8.495 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.916 4.967 -9.536 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.648 3.282 -8.983 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.215 4.642 -10.603 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.436 3.622 -10.297 1.00 0.00 N ATOM 0 H HIS A 602 8.086 5.141 -5.011 1.00 0.00 H new ATOM 0 HA HIS A 602 5.749 5.628 -6.452 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.108 4.857 -7.210 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.565 3.231 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.160 2.486 -8.440 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.269 5.128 -11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.784 3.162 -10.932 1.00 0.00 H new ATOM 283 N LEU A 603 5.825 2.709 -4.883 1.00 0.00 N ATOM 284 CA LEU A 603 5.014 1.592 -4.411 1.00 0.00 C ATOM 285 C LEU A 603 3.931 2.057 -3.444 1.00 0.00 C ATOM 286 O LEU A 603 2.800 1.572 -3.497 1.00 0.00 O ATOM 287 CB LEU A 603 5.901 0.533 -3.753 1.00 0.00 C ATOM 288 CG LEU A 603 7.058 0.039 -4.630 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.043 -0.781 -3.817 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.530 -0.773 -5.804 1.00 0.00 C ATOM 0 H LEU A 603 6.804 2.662 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 603 4.518 1.150 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.311 0.943 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.282 -0.320 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 603 7.583 0.911 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.854 -1.120 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.450 -0.168 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.533 -1.645 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.365 -1.115 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.977 -1.635 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.869 -0.152 -6.408 1.00 0.00 H new ATOM 302 N VAL A 604 4.275 2.994 -2.568 1.00 0.00 N ATOM 303 CA VAL A 604 3.307 3.543 -1.621 1.00 0.00 C ATOM 304 C VAL A 604 2.115 4.150 -2.360 1.00 0.00 C ATOM 305 O VAL A 604 0.963 3.853 -2.041 1.00 0.00 O ATOM 306 CB VAL A 604 3.945 4.608 -0.697 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.892 5.286 0.167 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.012 3.980 0.187 1.00 0.00 C ATOM 0 H VAL A 604 5.212 3.389 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 604 2.964 2.717 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 604 4.409 5.362 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.369 6.029 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.157 5.775 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.395 4.540 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.449 4.745 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.562 3.202 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.791 3.543 -0.438 1.00 0.00 H new ATOM 318 N HIS A 605 2.396 4.988 -3.356 1.00 0.00 N ATOM 319 CA HIS A 605 1.335 5.582 -4.174 1.00 0.00 C ATOM 320 C HIS A 605 0.534 4.505 -4.893 1.00 0.00 C ATOM 321 O HIS A 605 -0.680 4.609 -5.016 1.00 0.00 O ATOM 322 CB HIS A 605 1.891 6.574 -5.202 1.00 0.00 C ATOM 323 CG HIS A 605 2.563 7.766 -4.593 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.722 8.316 -5.094 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.225 8.519 -3.521 1.00 0.00 C ATOM 326 CE1 HIS A 605 4.070 9.351 -4.352 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.179 9.498 -3.391 1.00 0.00 N ATOM 0 H HIS A 605 3.341 5.271 -3.616 1.00 0.00 H new ATOM 0 HA HIS A 605 0.681 6.125 -3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.604 6.056 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 605 1.076 6.915 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.364 8.376 -2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.939 9.973 -4.506 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.196 10.220 -2.670 1.00 0.00 H new ATOM 336 N LYS A 606 1.225 3.480 -5.379 1.00 0.00 N ATOM 337 CA LYS A 606 0.572 2.378 -6.078 1.00 0.00 C ATOM 338 C LYS A 606 -0.405 1.646 -5.155 1.00 0.00 C ATOM 339 O LYS A 606 -1.502 1.264 -5.571 1.00 0.00 O ATOM 340 CB LYS A 606 1.619 1.402 -6.627 1.00 0.00 C ATOM 341 CG LYS A 606 1.015 0.208 -7.345 1.00 0.00 C ATOM 342 CD LYS A 606 2.078 -0.656 -8.001 1.00 0.00 C ATOM 343 CE LYS A 606 1.465 -1.877 -8.670 1.00 0.00 C ATOM 344 NZ LYS A 606 0.426 -1.507 -9.671 1.00 0.00 N ATOM 0 H LYS A 606 2.238 3.389 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 606 0.005 2.792 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.276 1.935 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 606 2.239 1.046 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.446 -0.393 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 606 0.313 0.557 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.621 -0.068 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.803 -0.975 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.250 -2.454 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 606 1.022 -2.522 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 0.194 -2.337 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -0.430 -1.180 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 0.787 -0.746 -10.281 1.00 0.00 H new ATOM 358 N LEU A 607 0.004 1.447 -3.908 1.00 0.00 N ATOM 359 CA LEU A 607 -0.847 0.820 -2.907 1.00 0.00 C ATOM 360 C LEU A 607 -2.058 1.712 -2.627 1.00 0.00 C ATOM 361 O LEU A 607 -3.195 1.240 -2.569 1.00 0.00 O ATOM 362 CB LEU A 607 -0.033 0.563 -1.633 1.00 0.00 C ATOM 363 CG LEU A 607 -0.608 -0.480 -0.668 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.476 -0.973 0.273 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.762 0.096 0.134 1.00 0.00 C ATOM 0 H LEU A 607 0.927 1.713 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.214 -0.138 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.969 0.247 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.073 1.506 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.983 -1.316 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.057 -1.714 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.281 -1.426 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.869 -0.134 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.151 -0.665 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.412 0.951 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.553 0.416 -0.545 1.00 0.00 H new ATOM 377 N VAL A 608 -1.795 3.006 -2.466 1.00 0.00 N ATOM 378 CA VAL A 608 -2.856 4.002 -2.327 1.00 0.00 C ATOM 379 C VAL A 608 -3.812 3.936 -3.521 1.00 0.00 C ATOM 380 O VAL A 608 -5.032 3.962 -3.357 1.00 0.00 O ATOM 381 CB VAL A 608 -2.274 5.431 -2.212 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.373 6.484 -2.299 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.487 5.585 -0.919 1.00 0.00 C ATOM 0 H VAL A 608 -0.852 3.392 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.402 3.774 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.596 5.585 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -2.932 7.477 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -3.887 6.395 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.086 6.334 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.085 6.596 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.144 5.402 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.667 4.867 -0.905 1.00 0.00 H new ATOM 393 N GLN A 609 -3.239 3.832 -4.715 1.00 0.00 N ATOM 394 CA GLN A 609 -4.003 3.741 -5.957 1.00 0.00 C ATOM 395 C GLN A 609 -4.947 2.541 -5.942 1.00 0.00 C ATOM 396 O GLN A 609 -6.077 2.621 -6.422 1.00 0.00 O ATOM 397 CB GLN A 609 -3.048 3.647 -7.150 1.00 0.00 C ATOM 398 CG GLN A 609 -3.746 3.591 -8.499 1.00 0.00 C ATOM 399 CD GLN A 609 -2.767 3.478 -9.651 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.402 2.379 -10.072 1.00 0.00 O ATOM 401 NE2 GLN A 609 -2.324 4.615 -10.163 1.00 0.00 N ATOM 0 H GLN A 609 -2.228 3.808 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.609 4.642 -6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.378 4.507 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.428 2.758 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.426 2.739 -8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.354 4.487 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -2.650 5.505 -9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -1.656 4.601 -10.934 1.00 0.00 H new ATOM 410 N ALA A 610 -4.474 1.423 -5.404 1.00 0.00 N ATOM 411 CA ALA A 610 -5.292 0.224 -5.295 1.00 0.00 C ATOM 412 C ALA A 610 -6.501 0.472 -4.396 1.00 0.00 C ATOM 413 O ALA A 610 -7.618 0.060 -4.712 1.00 0.00 O ATOM 414 CB ALA A 610 -4.460 -0.937 -4.769 1.00 0.00 C ATOM 0 H ALA A 610 -3.528 1.323 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.658 -0.034 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.085 -1.827 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.633 -1.131 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.065 -0.685 -3.785 1.00 0.00 H new ATOM 420 N ILE A 611 -6.266 1.142 -3.273 1.00 0.00 N ATOM 421 CA ILE A 611 -7.344 1.471 -2.341 1.00 0.00 C ATOM 422 C ILE A 611 -8.265 2.552 -2.926 1.00 0.00 C ATOM 423 O ILE A 611 -9.476 2.529 -2.695 1.00 0.00 O ATOM 424 CB ILE A 611 -6.800 1.956 -0.938 1.00 0.00 C ATOM 425 CG1 ILE A 611 -5.942 0.881 -0.227 1.00 0.00 C ATOM 426 CG2 ILE A 611 -7.933 2.407 -0.012 1.00 0.00 C ATOM 427 CD1 ILE A 611 -4.984 1.459 0.794 1.00 0.00 C ATOM 0 H ILE A 611 -5.343 1.468 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.908 0.551 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.159 2.811 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.602 0.168 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.375 0.326 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.516 2.732 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.473 3.234 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.618 1.576 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.414 0.653 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.301 2.151 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.547 1.990 1.562 1.00 0.00 H new ATOM 439 N PHE A 612 -7.710 3.469 -3.712 1.00 0.00 N ATOM 440 CA PHE A 612 -8.467 4.620 -4.182 1.00 0.00 C ATOM 441 C PHE A 612 -7.842 5.177 -5.467 1.00 0.00 C ATOM 442 O PHE A 612 -6.946 6.019 -5.416 1.00 0.00 O ATOM 443 CB PHE A 612 -8.502 5.680 -3.074 1.00 0.00 C ATOM 444 CG PHE A 612 -9.550 6.740 -3.257 1.00 0.00 C ATOM 445 CD1 PHE A 612 -10.880 6.399 -3.460 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.205 8.081 -3.217 1.00 0.00 C ATOM 447 CE1 PHE A 612 -11.841 7.378 -3.625 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.163 9.061 -3.379 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.482 8.710 -3.585 1.00 0.00 C ATOM 0 H PHE A 612 -6.743 3.437 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.489 4.322 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.670 5.183 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.525 6.160 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.167 5.358 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.175 8.363 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -12.873 7.101 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -9.881 10.103 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.232 9.476 -3.715 1.00 0.00 H new ATOM 459 N PRO A 613 -8.312 4.710 -6.641 1.00 0.00 N ATOM 460 CA PRO A 613 -7.675 5.023 -7.936 1.00 0.00 C ATOM 461 C PRO A 613 -8.039 6.402 -8.490 1.00 0.00 C ATOM 462 O PRO A 613 -7.445 6.861 -9.466 1.00 0.00 O ATOM 463 CB PRO A 613 -8.217 3.928 -8.862 1.00 0.00 C ATOM 464 CG PRO A 613 -9.543 3.537 -8.279 1.00 0.00 C ATOM 465 CD PRO A 613 -9.493 3.827 -6.795 1.00 0.00 C ATOM 0 HA PRO A 613 -6.589 5.049 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.329 4.295 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.539 3.076 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.349 4.097 -8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.743 2.480 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.405 4.317 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.386 2.912 -6.213 1.00 0.00 H new ATOM 473 N THR A 614 -9.000 7.057 -7.865 1.00 0.00 N ATOM 474 CA THR A 614 -9.471 8.354 -8.328 1.00 0.00 C ATOM 475 C THR A 614 -8.841 9.487 -7.519 1.00 0.00 C ATOM 476 O THR A 614 -9.158 9.660 -6.341 1.00 0.00 O ATOM 477 CB THR A 614 -11.005 8.448 -8.225 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.426 8.066 -6.907 1.00 0.00 O ATOM 479 CG2 THR A 614 -11.676 7.551 -9.253 1.00 0.00 C ATOM 0 H THR A 614 -9.473 6.711 -7.030 1.00 0.00 H new ATOM 0 HA THR A 614 -9.174 8.455 -9.372 1.00 0.00 H new ATOM 0 HB THR A 614 -11.299 9.479 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 614 -10.870 8.522 -6.241 1.00 0.00 H new ATOM 0 HG21 THR A 614 -12.759 7.636 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.374 7.856 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.377 6.517 -9.083 1.00 0.00 H new ATOM 487 N PRO A 615 -7.937 10.271 -8.129 1.00 0.00 N ATOM 488 CA PRO A 615 -7.290 11.417 -7.469 1.00 0.00 C ATOM 489 C PRO A 615 -8.227 12.621 -7.350 1.00 0.00 C ATOM 490 O PRO A 615 -7.917 13.720 -7.817 1.00 0.00 O ATOM 491 CB PRO A 615 -6.101 11.748 -8.393 1.00 0.00 C ATOM 492 CG PRO A 615 -6.037 10.616 -9.381 1.00 0.00 C ATOM 493 CD PRO A 615 -7.450 10.119 -9.507 1.00 0.00 C ATOM 0 HA PRO A 615 -6.994 11.182 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.250 12.702 -8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.173 11.828 -7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.652 10.955 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.372 9.826 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.031 10.710 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.492 9.084 -9.845 1.00 0.00 H new ATOM 501 N ASP A 616 -9.383 12.398 -6.741 1.00 0.00 N ATOM 502 CA ASP A 616 -10.348 13.465 -6.491 1.00 0.00 C ATOM 503 C ASP A 616 -9.764 14.473 -5.503 1.00 0.00 C ATOM 504 O ASP A 616 -9.358 14.109 -4.398 1.00 0.00 O ATOM 505 CB ASP A 616 -11.651 12.877 -5.929 1.00 0.00 C ATOM 506 CG ASP A 616 -12.734 13.924 -5.785 1.00 0.00 C ATOM 507 OD1 ASP A 616 -12.819 14.561 -4.712 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.509 14.116 -6.747 1.00 0.00 O ATOM 0 H ASP A 616 -9.679 11.481 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.566 13.972 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.002 12.081 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.454 12.424 -4.957 1.00 0.00 H new ATOM 513 N PRO A 617 -9.702 15.761 -5.910 1.00 0.00 N ATOM 514 CA PRO A 617 -9.050 16.824 -5.128 1.00 0.00 C ATOM 515 C PRO A 617 -9.630 16.997 -3.724 1.00 0.00 C ATOM 516 O PRO A 617 -8.884 17.247 -2.778 1.00 0.00 O ATOM 517 CB PRO A 617 -9.281 18.100 -5.962 1.00 0.00 C ATOM 518 CG PRO A 617 -10.371 17.758 -6.916 1.00 0.00 C ATOM 519 CD PRO A 617 -10.245 16.283 -7.179 1.00 0.00 C ATOM 0 HA PRO A 617 -7.999 16.588 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -9.564 18.939 -5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -8.374 18.393 -6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.347 17.997 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -10.274 18.329 -7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.208 15.833 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.578 16.079 -8.017 1.00 0.00 H new ATOM 527 N ALA A 618 -10.951 16.903 -3.591 1.00 0.00 N ATOM 528 CA ALA A 618 -11.585 16.999 -2.279 1.00 0.00 C ATOM 529 C ALA A 618 -11.248 15.793 -1.415 1.00 0.00 C ATOM 530 O ALA A 618 -10.979 15.933 -0.220 1.00 0.00 O ATOM 531 CB ALA A 618 -13.093 17.143 -2.421 1.00 0.00 C ATOM 0 H ALA A 618 -11.597 16.762 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.194 17.889 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.547 17.213 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.320 18.045 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.494 16.274 -2.943 1.00 0.00 H new ATOM 537 N ALA A 619 -11.258 14.611 -2.018 1.00 0.00 N ATOM 538 CA ALA A 619 -10.930 13.392 -1.296 1.00 0.00 C ATOM 539 C ALA A 619 -9.468 13.408 -0.858 1.00 0.00 C ATOM 540 O ALA A 619 -9.131 12.924 0.220 1.00 0.00 O ATOM 541 CB ALA A 619 -11.242 12.165 -2.141 1.00 0.00 C ATOM 0 H ALA A 619 -11.489 14.472 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.548 13.342 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.989 11.264 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.304 12.153 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.657 12.198 -3.060 1.00 0.00 H new ATOM 547 N LEU A 620 -8.600 13.942 -1.717 1.00 0.00 N ATOM 548 CA LEU A 620 -7.206 14.213 -1.358 1.00 0.00 C ATOM 549 C LEU A 620 -7.102 14.955 -0.021 1.00 0.00 C ATOM 550 O LEU A 620 -6.149 14.763 0.735 1.00 0.00 O ATOM 551 CB LEU A 620 -6.544 15.048 -2.462 1.00 0.00 C ATOM 552 CG LEU A 620 -5.192 14.538 -2.981 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.158 14.486 -1.867 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.348 13.170 -3.634 1.00 0.00 C ATOM 0 H LEU A 620 -8.840 14.198 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.693 13.257 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.233 15.109 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.407 16.063 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.837 15.241 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.212 14.121 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.017 15.485 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.504 13.815 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.379 12.827 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -5.735 12.460 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.042 13.244 -4.471 1.00 0.00 H new ATOM 566 N LYS A 621 -8.085 15.795 0.272 1.00 0.00 N ATOM 567 CA LYS A 621 -8.073 16.598 1.491 1.00 0.00 C ATOM 568 C LYS A 621 -8.916 15.957 2.594 1.00 0.00 C ATOM 569 O LYS A 621 -9.278 16.614 3.569 1.00 0.00 O ATOM 570 CB LYS A 621 -8.583 18.010 1.190 1.00 0.00 C ATOM 571 CG LYS A 621 -7.778 18.725 0.117 1.00 0.00 C ATOM 572 CD LYS A 621 -8.312 20.120 -0.151 1.00 0.00 C ATOM 573 CE LYS A 621 -7.516 20.820 -1.238 1.00 0.00 C ATOM 574 NZ LYS A 621 -7.580 20.089 -2.532 1.00 0.00 N ATOM 0 H LYS A 621 -8.904 15.940 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.045 16.652 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.625 17.953 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.559 18.600 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.735 18.788 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.802 18.143 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -9.359 20.059 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -8.273 20.708 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -7.899 21.832 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -6.476 20.912 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -6.652 19.668 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.296 19.337 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -7.837 20.751 -3.292 1.00 0.00 H new ATOM 588 N ASP A 622 -9.228 14.678 2.439 1.00 0.00 N ATOM 589 CA ASP A 622 -10.047 13.970 3.421 1.00 0.00 C ATOM 590 C ASP A 622 -9.166 13.241 4.427 1.00 0.00 C ATOM 591 O ASP A 622 -8.157 12.632 4.064 1.00 0.00 O ATOM 592 CB ASP A 622 -10.970 12.961 2.739 1.00 0.00 C ATOM 593 CG ASP A 622 -12.134 12.570 3.625 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.993 11.627 4.430 1.00 0.00 O ATOM 595 OD2 ASP A 622 -13.199 13.216 3.519 1.00 0.00 O ATOM 0 H ASP A 622 -8.929 14.109 1.647 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.653 14.712 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.348 13.386 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.401 12.070 2.474 1.00 0.00 H new ATOM 600 N ARG A 623 -9.552 13.328 5.697 1.00 0.00 N ATOM 601 CA ARG A 623 -8.840 12.664 6.786 1.00 0.00 C ATOM 602 C ARG A 623 -8.817 11.146 6.618 1.00 0.00 C ATOM 603 O ARG A 623 -7.840 10.500 6.989 1.00 0.00 O ATOM 604 CB ARG A 623 -9.438 13.031 8.148 1.00 0.00 C ATOM 605 CG ARG A 623 -9.317 14.509 8.504 1.00 0.00 C ATOM 606 CD ARG A 623 -7.919 15.050 8.240 1.00 0.00 C ATOM 607 NE ARG A 623 -6.879 14.324 8.969 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.574 14.554 8.818 1.00 0.00 C ATOM 609 NH1 ARG A 623 -5.159 15.486 7.971 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.685 13.854 9.511 1.00 0.00 N ATOM 0 H ARG A 623 -10.367 13.861 6.001 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.811 13.021 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.491 12.751 8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.945 12.441 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -10.042 15.081 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -9.567 14.650 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -7.711 14.997 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -7.884 16.103 8.520 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.168 13.602 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.838 16.027 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -4.161 15.662 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -4.998 13.135 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.688 14.034 9.391 1.00 0.00 H new ATOM 624 N ARG A 624 -9.898 10.571 6.094 1.00 0.00 N ATOM 625 CA ARG A 624 -9.973 9.116 5.943 1.00 0.00 C ATOM 626 C ARG A 624 -8.868 8.625 5.012 1.00 0.00 C ATOM 627 O ARG A 624 -8.272 7.568 5.246 1.00 0.00 O ATOM 628 CB ARG A 624 -11.344 8.640 5.439 1.00 0.00 C ATOM 629 CG ARG A 624 -12.401 8.512 6.534 1.00 0.00 C ATOM 630 CD ARG A 624 -13.326 7.322 6.280 1.00 0.00 C ATOM 631 NE ARG A 624 -12.590 6.059 6.292 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.149 4.864 6.470 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.468 4.741 6.551 1.00 0.00 N ATOM 634 NH2 ARG A 624 -12.380 3.787 6.537 1.00 0.00 N ATOM 0 H ARG A 624 -10.722 11.078 5.771 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.834 8.686 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.703 9.337 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.224 7.673 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.913 8.395 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.989 9.428 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -14.106 7.297 7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.823 7.445 5.318 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.580 6.096 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.063 5.566 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.887 3.821 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.368 3.877 6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.801 2.868 6.673 1.00 0.00 H new ATOM 648 N MET A 625 -8.598 9.394 3.956 1.00 0.00 N ATOM 649 CA MET A 625 -7.494 9.087 3.051 1.00 0.00 C ATOM 650 C MET A 625 -6.164 9.057 3.803 1.00 0.00 C ATOM 651 O MET A 625 -5.313 8.213 3.530 1.00 0.00 O ATOM 652 CB MET A 625 -7.428 10.073 1.873 1.00 0.00 C ATOM 653 CG MET A 625 -6.149 9.934 1.048 1.00 0.00 C ATOM 654 SD MET A 625 -6.043 11.119 -0.306 1.00 0.00 S ATOM 655 CE MET A 625 -7.340 10.516 -1.382 1.00 0.00 C ATOM 0 H MET A 625 -9.127 10.230 3.709 1.00 0.00 H new ATOM 0 HA MET A 625 -7.681 8.095 2.639 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.290 9.915 1.225 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.499 11.092 2.255 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.287 10.062 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.094 8.924 0.643 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.200 10.923 -2.384 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.301 9.427 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.309 10.830 -0.995 1.00 0.00 H new ATOM 665 N GLU A 626 -6.005 9.963 4.764 1.00 0.00 N ATOM 666 CA GLU A 626 -4.760 10.085 5.519 1.00 0.00 C ATOM 667 C GLU A 626 -4.454 8.758 6.211 1.00 0.00 C ATOM 668 O GLU A 626 -3.312 8.303 6.237 1.00 0.00 O ATOM 669 CB GLU A 626 -4.888 11.226 6.542 1.00 0.00 C ATOM 670 CG GLU A 626 -3.568 11.740 7.109 1.00 0.00 C ATOM 671 CD GLU A 626 -2.931 10.806 8.118 1.00 0.00 C ATOM 672 OE1 GLU A 626 -3.601 10.442 9.107 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.747 10.457 7.943 1.00 0.00 O ATOM 0 H GLU A 626 -6.728 10.628 5.040 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.936 10.321 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.411 12.058 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.511 10.884 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -2.870 11.904 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -3.738 12.708 7.581 1.00 0.00 H new ATOM 680 N ASN A 627 -5.500 8.130 6.737 1.00 0.00 N ATOM 681 CA ASN A 627 -5.372 6.850 7.427 1.00 0.00 C ATOM 682 C ASN A 627 -4.878 5.765 6.474 1.00 0.00 C ATOM 683 O ASN A 627 -4.008 4.967 6.825 1.00 0.00 O ATOM 684 CB ASN A 627 -6.718 6.423 8.028 1.00 0.00 C ATOM 685 CG ASN A 627 -7.313 7.452 8.987 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.476 8.291 9.591 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -8.528 7.503 9.169 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.454 8.490 6.698 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.644 6.977 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.426 6.240 7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.587 5.479 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -9.143 6.845 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -8.920 8.203 9.798 1.00 0.00 H new ATOM 694 N LEU A 628 -5.436 5.737 5.266 1.00 0.00 N ATOM 695 CA LEU A 628 -5.038 4.730 4.281 1.00 0.00 C ATOM 696 C LEU A 628 -3.596 4.993 3.850 1.00 0.00 C ATOM 697 O LEU A 628 -2.808 4.062 3.676 1.00 0.00 O ATOM 698 CB LEU A 628 -6.026 4.677 3.076 1.00 0.00 C ATOM 699 CG LEU A 628 -5.757 5.613 1.881 1.00 0.00 C ATOM 700 CD1 LEU A 628 -4.665 5.056 0.978 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.032 5.809 1.076 1.00 0.00 C ATOM 0 H LEU A 628 -6.154 6.388 4.947 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.084 3.742 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.043 3.653 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.025 4.895 3.453 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.421 6.572 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.499 5.739 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -3.742 4.947 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -4.971 4.083 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -6.832 6.472 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.380 4.845 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.799 6.251 1.712 1.00 0.00 H new ATOM 713 N VAL A 629 -3.258 6.272 3.687 1.00 0.00 N ATOM 714 CA VAL A 629 -1.894 6.675 3.356 1.00 0.00 C ATOM 715 C VAL A 629 -0.925 6.210 4.442 1.00 0.00 C ATOM 716 O VAL A 629 0.161 5.702 4.150 1.00 0.00 O ATOM 717 CB VAL A 629 -1.785 8.206 3.177 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.346 8.623 2.943 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.662 8.676 2.026 1.00 0.00 C ATOM 0 H VAL A 629 -3.913 7.048 3.779 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.630 6.202 2.410 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.134 8.676 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.296 9.705 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.262 8.326 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 629 0.032 8.138 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.571 9.757 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.343 8.190 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.701 8.419 2.232 1.00 0.00 H new ATOM 729 N ALA A 630 -1.339 6.376 5.692 1.00 0.00 N ATOM 730 CA ALA A 630 -0.560 5.918 6.832 1.00 0.00 C ATOM 731 C ALA A 630 -0.389 4.398 6.802 1.00 0.00 C ATOM 732 O ALA A 630 0.679 3.882 7.138 1.00 0.00 O ATOM 733 CB ALA A 630 -1.207 6.378 8.132 1.00 0.00 C ATOM 0 H ALA A 630 -2.218 6.829 5.942 1.00 0.00 H new ATOM 0 HA ALA A 630 0.435 6.360 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.614 6.028 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.256 7.467 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.215 5.968 8.202 1.00 0.00 H new ATOM 739 N TYR A 631 -1.440 3.684 6.403 1.00 0.00 N ATOM 740 CA TYR A 631 -1.367 2.228 6.275 1.00 0.00 C ATOM 741 C TYR A 631 -0.370 1.834 5.182 1.00 0.00 C ATOM 742 O TYR A 631 0.401 0.888 5.348 1.00 0.00 O ATOM 743 CB TYR A 631 -2.747 1.613 5.980 1.00 0.00 C ATOM 744 CG TYR A 631 -2.696 0.114 5.777 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.297 -0.727 6.808 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.027 -0.457 4.554 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.223 -2.094 6.624 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.962 -1.820 4.368 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.557 -2.636 5.402 1.00 0.00 C ATOM 750 OH TYR A 631 -2.474 -3.997 5.208 1.00 0.00 O ATOM 0 H TYR A 631 -2.347 4.086 6.164 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.022 1.833 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.423 1.840 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.164 2.081 5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.041 -0.305 7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.340 0.177 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.905 -2.734 7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.228 -2.249 3.413 1.00 0.00 H new ATOM 0 HH TYR A 631 -3.358 -4.348 4.971 1.00 0.00 H new ATOM 760 N ALA A 632 -0.387 2.563 4.068 1.00 0.00 N ATOM 761 CA ALA A 632 0.550 2.310 2.973 1.00 0.00 C ATOM 762 C ALA A 632 1.993 2.508 3.443 1.00 0.00 C ATOM 763 O ALA A 632 2.868 1.691 3.148 1.00 0.00 O ATOM 764 CB ALA A 632 0.238 3.207 1.778 1.00 0.00 C ATOM 0 H ALA A 632 -1.036 3.331 3.899 1.00 0.00 H new ATOM 0 HA ALA A 632 0.436 1.274 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.946 3.003 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.775 3.007 1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.319 4.252 2.077 1.00 0.00 H new ATOM 770 N LYS A 633 2.228 3.594 4.179 1.00 0.00 N ATOM 771 CA LYS A 633 3.536 3.854 4.777 1.00 0.00 C ATOM 772 C LYS A 633 3.928 2.747 5.753 1.00 0.00 C ATOM 773 O LYS A 633 5.088 2.343 5.812 1.00 0.00 O ATOM 774 CB LYS A 633 3.549 5.206 5.501 1.00 0.00 C ATOM 775 CG LYS A 633 4.481 6.225 4.870 1.00 0.00 C ATOM 776 CD LYS A 633 3.995 6.638 3.493 1.00 0.00 C ATOM 777 CE LYS A 633 2.900 7.686 3.577 1.00 0.00 C ATOM 778 NZ LYS A 633 3.353 8.912 4.286 1.00 0.00 N ATOM 0 H LYS A 633 1.528 4.309 4.375 1.00 0.00 H new ATOM 0 HA LYS A 633 4.264 3.879 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.537 5.611 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 633 3.844 5.050 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.551 7.103 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.484 5.805 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.831 7.030 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.622 5.763 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.573 7.949 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.037 7.267 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.784 9.724 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.237 8.783 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.355 9.087 4.070 1.00 0.00 H new ATOM 792 N LYS A 634 2.965 2.274 6.530 1.00 0.00 N ATOM 793 CA LYS A 634 3.205 1.170 7.451 1.00 0.00 C ATOM 794 C LYS A 634 3.671 -0.063 6.682 1.00 0.00 C ATOM 795 O LYS A 634 4.590 -0.768 7.105 1.00 0.00 O ATOM 796 CB LYS A 634 1.936 0.862 8.257 1.00 0.00 C ATOM 797 CG LYS A 634 2.069 -0.322 9.208 1.00 0.00 C ATOM 798 CD LYS A 634 3.240 -0.160 10.168 1.00 0.00 C ATOM 799 CE LYS A 634 3.094 1.076 11.045 1.00 0.00 C ATOM 800 NZ LYS A 634 4.246 1.244 11.970 1.00 0.00 N ATOM 0 H LYS A 634 2.011 2.636 6.542 1.00 0.00 H new ATOM 0 HA LYS A 634 3.990 1.458 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.662 1.746 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.118 0.666 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.147 -0.433 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.199 -1.237 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 634 3.316 -1.045 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 634 4.168 -0.093 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.005 1.960 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.173 1.003 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 4.106 2.097 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 4.317 0.413 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 5.123 1.340 11.419 1.00 0.00 H new ATOM 814 N VAL A 635 3.038 -0.303 5.542 1.00 0.00 N ATOM 815 CA VAL A 635 3.406 -1.414 4.678 1.00 0.00 C ATOM 816 C VAL A 635 4.847 -1.286 4.193 1.00 0.00 C ATOM 817 O VAL A 635 5.622 -2.238 4.302 1.00 0.00 O ATOM 818 CB VAL A 635 2.455 -1.526 3.467 1.00 0.00 C ATOM 819 CG1 VAL A 635 3.030 -2.449 2.403 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.094 -2.033 3.912 1.00 0.00 C ATOM 0 H VAL A 635 2.263 0.261 5.193 1.00 0.00 H new ATOM 0 HA VAL A 635 3.318 -2.322 5.274 1.00 0.00 H new ATOM 0 HB VAL A 635 2.343 -0.532 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.339 -2.509 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.987 -2.056 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.176 -3.444 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.433 -2.107 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.204 -3.016 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.667 -1.340 4.637 1.00 0.00 H new ATOM 830 N GLU A 636 5.204 -0.113 3.668 1.00 0.00 N ATOM 831 CA GLU A 636 6.570 0.113 3.197 1.00 0.00 C ATOM 832 C GLU A 636 7.565 -0.194 4.313 1.00 0.00 C ATOM 833 O GLU A 636 8.628 -0.753 4.060 1.00 0.00 O ATOM 834 CB GLU A 636 6.787 1.548 2.668 1.00 0.00 C ATOM 835 CG GLU A 636 7.204 2.557 3.733 1.00 0.00 C ATOM 836 CD GLU A 636 7.841 3.806 3.162 1.00 0.00 C ATOM 837 OE1 GLU A 636 9.010 3.733 2.720 1.00 0.00 O ATOM 838 OE2 GLU A 636 7.198 4.872 3.192 1.00 0.00 O ATOM 0 H GLU A 636 4.577 0.684 3.559 1.00 0.00 H new ATOM 0 HA GLU A 636 6.737 -0.563 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.550 1.524 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.865 1.893 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.329 2.840 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 636 7.905 2.081 4.419 1.00 0.00 H new ATOM 845 N GLY A 637 7.208 0.174 5.543 1.00 0.00 N ATOM 846 CA GLY A 637 8.072 -0.087 6.682 1.00 0.00 C ATOM 847 C GLY A 637 8.256 -1.568 6.963 1.00 0.00 C ATOM 848 O GLY A 637 9.383 -2.038 7.086 1.00 0.00 O ATOM 0 H GLY A 637 6.334 0.649 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.047 0.367 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.654 0.395 7.566 1.00 0.00 H new ATOM 852 N ASP A 638 7.154 -2.307 7.052 1.00 0.00 N ATOM 853 CA ASP A 638 7.223 -3.734 7.375 1.00 0.00 C ATOM 854 C ASP A 638 7.946 -4.510 6.278 1.00 0.00 C ATOM 855 O ASP A 638 8.826 -5.329 6.554 1.00 0.00 O ATOM 856 CB ASP A 638 5.826 -4.324 7.587 1.00 0.00 C ATOM 857 CG ASP A 638 5.879 -5.715 8.192 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.200 -6.683 7.467 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.620 -5.847 9.408 1.00 0.00 O ATOM 0 H ASP A 638 6.210 -1.949 6.907 1.00 0.00 H new ATOM 0 HA ASP A 638 7.786 -3.827 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.251 -3.667 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.301 -4.364 6.632 1.00 0.00 H new ATOM 864 N MET A 639 7.577 -4.232 5.033 1.00 0.00 N ATOM 865 CA MET A 639 8.192 -4.889 3.878 1.00 0.00 C ATOM 866 C MET A 639 9.678 -4.551 3.818 1.00 0.00 C ATOM 867 O MET A 639 10.488 -5.378 3.434 1.00 0.00 O ATOM 868 CB MET A 639 7.513 -4.473 2.556 1.00 0.00 C ATOM 869 CG MET A 639 5.988 -4.621 2.539 1.00 0.00 C ATOM 870 SD MET A 639 5.428 -6.310 2.835 1.00 0.00 S ATOM 871 CE MET A 639 3.684 -6.171 2.432 1.00 0.00 C ATOM 0 H MET A 639 6.853 -3.554 4.794 1.00 0.00 H new ATOM 0 HA MET A 639 8.061 -5.964 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.765 -3.433 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.930 -5.071 1.746 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.558 -3.966 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.609 -4.284 1.574 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.284 -7.159 2.203 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.147 -5.750 3.282 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.561 -5.520 1.567 1.00 0.00 H new ATOM 881 N TYR A 640 9.987 -3.318 4.205 1.00 0.00 N ATOM 882 CA TYR A 640 11.343 -2.752 4.089 1.00 0.00 C ATOM 883 C TYR A 640 12.426 -3.706 4.626 1.00 0.00 C ATOM 884 O TYR A 640 13.501 -3.793 4.037 1.00 0.00 O ATOM 885 CB TYR A 640 11.432 -1.392 4.809 1.00 0.00 C ATOM 886 CG TYR A 640 12.663 -0.566 4.472 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.149 -0.493 3.168 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.334 0.152 5.459 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.264 0.265 2.866 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.446 0.912 5.158 1.00 0.00 C ATOM 891 CZ TYR A 640 14.906 0.965 3.863 1.00 0.00 C ATOM 892 OH TYR A 640 16.017 1.720 3.564 1.00 0.00 O ATOM 0 H TYR A 640 9.308 -2.674 4.610 1.00 0.00 H new ATOM 0 HA TYR A 640 11.532 -2.608 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.544 -0.809 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.413 -1.566 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.647 -1.037 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 640 12.978 0.113 6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.631 0.308 1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 640 14.953 1.463 5.936 1.00 0.00 H new ATOM 0 HH TYR A 640 15.736 2.598 3.233 1.00 0.00 H new ATOM 902 N GLU A 641 12.160 -4.426 5.719 1.00 0.00 N ATOM 903 CA GLU A 641 13.143 -5.400 6.220 1.00 0.00 C ATOM 904 C GLU A 641 13.322 -6.561 5.233 1.00 0.00 C ATOM 905 O GLU A 641 14.445 -6.924 4.875 1.00 0.00 O ATOM 906 CB GLU A 641 12.756 -5.955 7.599 1.00 0.00 C ATOM 907 CG GLU A 641 13.117 -5.027 8.778 1.00 0.00 C ATOM 908 CD GLU A 641 12.198 -3.829 8.888 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.069 -3.986 9.406 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.610 -2.724 8.494 1.00 0.00 O ATOM 0 H GLU A 641 11.300 -4.360 6.263 1.00 0.00 H new ATOM 0 HA GLU A 641 14.087 -4.864 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.682 -6.143 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 641 13.250 -6.916 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 641 13.077 -5.596 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 641 14.144 -4.681 8.660 1.00 0.00 H new ATOM 917 N SER A 642 12.202 -7.142 4.816 1.00 0.00 N ATOM 918 CA SER A 642 12.191 -8.265 3.877 1.00 0.00 C ATOM 919 C SER A 642 12.707 -7.849 2.495 1.00 0.00 C ATOM 920 O SER A 642 13.351 -8.637 1.802 1.00 0.00 O ATOM 921 CB SER A 642 10.774 -8.825 3.764 1.00 0.00 C ATOM 922 OG SER A 642 10.237 -9.116 5.046 1.00 0.00 O ATOM 0 H SER A 642 11.273 -6.849 5.118 1.00 0.00 H new ATOM 0 HA SER A 642 12.860 -9.036 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 642 10.135 -8.105 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.784 -9.730 3.156 1.00 0.00 H new ATOM 0 HG SER A 642 9.329 -9.471 4.947 1.00 0.00 H new ATOM 928 N ALA A 643 12.325 -6.634 2.098 1.00 0.00 N ATOM 929 CA ALA A 643 12.711 -5.964 0.838 1.00 0.00 C ATOM 930 C ALA A 643 14.208 -5.976 0.483 1.00 0.00 C ATOM 931 O ALA A 643 14.657 -5.149 -0.312 1.00 0.00 O ATOM 932 CB ALA A 643 12.222 -4.529 0.868 1.00 0.00 C ATOM 0 H ALA A 643 11.708 -6.056 2.668 1.00 0.00 H new ATOM 0 HA ALA A 643 12.236 -6.556 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.504 -4.029 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.137 -4.516 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.673 -4.008 1.713 1.00 0.00 H new ATOM 938 N ASN A 644 14.981 -6.887 1.045 1.00 0.00 N ATOM 939 CA ASN A 644 16.408 -6.958 0.767 1.00 0.00 C ATOM 940 C ASN A 644 16.644 -7.431 -0.675 1.00 0.00 C ATOM 941 O ASN A 644 17.775 -7.437 -1.156 1.00 0.00 O ATOM 942 CB ASN A 644 17.094 -7.922 1.763 1.00 0.00 C ATOM 943 CG ASN A 644 18.615 -7.815 1.753 1.00 0.00 C ATOM 944 OD1 ASN A 644 19.310 -8.819 1.899 1.00 0.00 O ATOM 945 ND2 ASN A 644 19.146 -6.600 1.619 1.00 0.00 N ATOM 0 H ASN A 644 14.645 -7.592 1.700 1.00 0.00 H new ATOM 0 HA ASN A 644 16.840 -5.964 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.728 -7.715 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.807 -8.946 1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 644 20.159 -6.481 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 644 18.539 -5.789 1.500 1.00 0.00 H new ATOM 952 N SER A 645 15.563 -7.788 -1.370 1.00 0.00 N ATOM 953 CA SER A 645 15.642 -8.199 -2.763 1.00 0.00 C ATOM 954 C SER A 645 14.472 -7.604 -3.546 1.00 0.00 C ATOM 955 O SER A 645 13.359 -7.511 -3.021 1.00 0.00 O ATOM 956 CB SER A 645 15.626 -9.727 -2.871 1.00 0.00 C ATOM 957 OG SER A 645 16.630 -10.306 -2.055 1.00 0.00 O ATOM 0 H SER A 645 14.619 -7.799 -0.983 1.00 0.00 H new ATOM 0 HA SER A 645 16.577 -7.832 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.648 -10.106 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.780 -10.023 -3.909 1.00 0.00 H new ATOM 0 HG SER A 645 16.598 -11.282 -2.140 1.00 0.00 H new ATOM 963 N ARG A 646 14.727 -7.191 -4.785 1.00 0.00 N ATOM 964 CA ARG A 646 13.693 -6.584 -5.631 1.00 0.00 C ATOM 965 C ARG A 646 12.480 -7.502 -5.771 1.00 0.00 C ATOM 966 O ARG A 646 11.344 -7.074 -5.565 1.00 0.00 O ATOM 967 CB ARG A 646 14.249 -6.253 -7.026 1.00 0.00 C ATOM 968 CG ARG A 646 14.854 -4.858 -7.165 1.00 0.00 C ATOM 969 CD ARG A 646 16.067 -4.653 -6.270 1.00 0.00 C ATOM 970 NE ARG A 646 17.146 -5.602 -6.568 1.00 0.00 N ATOM 971 CZ ARG A 646 18.346 -5.253 -7.039 1.00 0.00 C ATOM 972 NH1 ARG A 646 18.614 -3.982 -7.312 1.00 0.00 N ATOM 973 NH2 ARG A 646 19.276 -6.181 -7.243 1.00 0.00 N ATOM 0 H ARG A 646 15.642 -7.264 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 646 13.379 -5.661 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.010 -6.990 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 646 13.446 -6.359 -7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 646 15.142 -4.693 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 646 14.097 -4.112 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 646 16.438 -3.635 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 646 15.769 -4.761 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 646 16.968 -6.593 -6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 646 17.902 -3.267 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 646 19.532 -3.720 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 646 19.073 -7.160 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 646 20.192 -5.914 -7.603 1.00 0.00 H new ATOM 987 N ASP A 647 12.733 -8.765 -6.098 1.00 0.00 N ATOM 988 CA ASP A 647 11.659 -9.733 -6.318 1.00 0.00 C ATOM 989 C ASP A 647 10.815 -9.907 -5.060 1.00 0.00 C ATOM 990 O ASP A 647 9.586 -9.961 -5.129 1.00 0.00 O ATOM 991 CB ASP A 647 12.234 -11.085 -6.755 1.00 0.00 C ATOM 992 CG ASP A 647 11.154 -12.108 -7.045 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.480 -11.990 -8.091 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.983 -13.042 -6.238 1.00 0.00 O ATOM 0 H ASP A 647 13.672 -9.144 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 647 11.019 -9.348 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 647 12.846 -10.945 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.891 -11.467 -5.973 1.00 0.00 H new ATOM 999 N GLU A 648 11.483 -9.979 -3.917 1.00 0.00 N ATOM 1000 CA GLU A 648 10.803 -10.107 -2.630 1.00 0.00 C ATOM 1001 C GLU A 648 9.887 -8.911 -2.385 1.00 0.00 C ATOM 1002 O GLU A 648 8.717 -9.070 -2.029 1.00 0.00 O ATOM 1003 CB GLU A 648 11.824 -10.201 -1.493 1.00 0.00 C ATOM 1004 CG GLU A 648 11.229 -10.645 -0.163 1.00 0.00 C ATOM 1005 CD GLU A 648 10.795 -12.094 -0.185 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.641 -12.374 -0.561 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.618 -12.964 0.165 1.00 0.00 O ATOM 0 H GLU A 648 12.501 -9.951 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 648 10.205 -11.018 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.609 -10.901 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.297 -9.228 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.964 -10.500 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.373 -10.015 0.078 1.00 0.00 H new ATOM 1014 N TYR A 649 10.434 -7.714 -2.598 1.00 0.00 N ATOM 1015 CA TYR A 649 9.714 -6.468 -2.344 1.00 0.00 C ATOM 1016 C TYR A 649 8.412 -6.428 -3.145 1.00 0.00 C ATOM 1017 O TYR A 649 7.345 -6.148 -2.596 1.00 0.00 O ATOM 1018 CB TYR A 649 10.594 -5.259 -2.709 1.00 0.00 C ATOM 1019 CG TYR A 649 10.258 -3.979 -1.964 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.170 -3.900 -1.101 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.056 -2.849 -2.111 1.00 0.00 C ATOM 1022 CE1 TYR A 649 8.886 -2.735 -0.413 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.781 -1.682 -1.422 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.694 -1.630 -0.575 1.00 0.00 C ATOM 1025 OH TYR A 649 9.418 -0.472 0.116 1.00 0.00 O ATOM 0 H TYR A 649 11.382 -7.582 -2.949 1.00 0.00 H new ATOM 0 HA TYR A 649 9.472 -6.421 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.636 -5.514 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 649 10.506 -5.073 -3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.536 -4.764 -0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.906 -2.884 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.034 -2.691 0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.414 -0.816 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 649 10.180 -0.243 0.688 1.00 0.00 H new ATOM 1035 N TYR A 650 8.502 -6.732 -4.438 1.00 0.00 N ATOM 1036 CA TYR A 650 7.356 -6.731 -5.316 1.00 0.00 C ATOM 1037 C TYR A 650 6.354 -7.815 -4.932 1.00 0.00 C ATOM 1038 O TYR A 650 5.148 -7.598 -5.001 1.00 0.00 O ATOM 1039 CB TYR A 650 7.823 -6.892 -6.756 1.00 0.00 C ATOM 1040 CG TYR A 650 8.343 -5.609 -7.365 1.00 0.00 C ATOM 1041 CD1 TYR A 650 7.467 -4.597 -7.732 1.00 0.00 C ATOM 1042 CD2 TYR A 650 9.702 -5.405 -7.568 1.00 0.00 C ATOM 1043 CE1 TYR A 650 7.928 -3.419 -8.285 1.00 0.00 C ATOM 1044 CE2 TYR A 650 10.171 -4.228 -8.121 1.00 0.00 C ATOM 1045 CZ TYR A 650 9.279 -3.239 -8.478 1.00 0.00 C ATOM 1046 OH TYR A 650 9.739 -2.066 -9.031 1.00 0.00 O ATOM 0 H TYR A 650 9.377 -6.985 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 650 6.838 -5.777 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.608 -7.648 -6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 650 6.995 -7.263 -7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 650 6.406 -4.733 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 650 10.403 -6.178 -7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 650 7.232 -2.642 -8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 650 11.231 -4.084 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 650 9.028 -1.392 -9.006 1.00 0.00 H new ATOM 1056 N HIS A 651 6.859 -8.970 -4.505 1.00 0.00 N ATOM 1057 CA HIS A 651 6.003 -10.118 -4.196 1.00 0.00 C ATOM 1058 C HIS A 651 5.082 -9.788 -3.027 1.00 0.00 C ATOM 1059 O HIS A 651 3.872 -10.016 -3.089 1.00 0.00 O ATOM 1060 CB HIS A 651 6.849 -11.353 -3.856 1.00 0.00 C ATOM 1061 CG HIS A 651 6.028 -12.559 -3.508 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.952 -13.078 -2.232 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.238 -13.345 -4.277 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.152 -14.127 -2.233 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.706 -14.308 -3.459 1.00 0.00 N ATOM 0 H HIS A 651 7.855 -9.138 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 651 5.401 -10.340 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.489 -11.591 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.506 -11.115 -3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.060 -13.234 -5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.905 -14.734 -1.375 1.00 0.00 H new ATOM 0 HE2 HIS A 651 4.067 -15.047 -3.753 1.00 0.00 H new ATOM 1074 N LEU A 652 5.677 -9.258 -1.969 1.00 0.00 N ATOM 1075 CA LEU A 652 4.945 -8.892 -0.764 1.00 0.00 C ATOM 1076 C LEU A 652 3.838 -7.883 -1.068 1.00 0.00 C ATOM 1077 O LEU A 652 2.687 -8.064 -0.660 1.00 0.00 O ATOM 1078 CB LEU A 652 5.915 -8.307 0.261 1.00 0.00 C ATOM 1079 CG LEU A 652 7.028 -9.252 0.718 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.053 -8.500 1.550 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.450 -10.415 1.509 1.00 0.00 C ATOM 0 H LEU A 652 6.678 -9.070 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 652 4.476 -9.790 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.371 -7.413 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.347 -7.991 1.136 1.00 0.00 H new ATOM 0 HG LEU A 652 7.525 -9.652 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.838 -9.186 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.490 -7.700 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.567 -8.074 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.257 -11.076 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.927 -10.034 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.751 -10.969 0.883 1.00 0.00 H new ATOM 1093 N LEU A 653 4.196 -6.823 -1.782 1.00 0.00 N ATOM 1094 CA LEU A 653 3.241 -5.782 -2.147 1.00 0.00 C ATOM 1095 C LEU A 653 2.167 -6.308 -3.100 1.00 0.00 C ATOM 1096 O LEU A 653 0.980 -6.090 -2.873 1.00 0.00 O ATOM 1097 CB LEU A 653 3.969 -4.588 -2.769 1.00 0.00 C ATOM 1098 CG LEU A 653 4.761 -3.730 -1.781 1.00 0.00 C ATOM 1099 CD1 LEU A 653 5.977 -3.135 -2.456 1.00 0.00 C ATOM 1100 CD2 LEU A 653 3.891 -2.617 -1.220 1.00 0.00 C ATOM 0 H LEU A 653 5.144 -6.661 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 653 2.740 -5.457 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.651 -4.956 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.236 -3.956 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 653 5.086 -4.370 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.530 -2.527 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.618 -3.937 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.660 -2.512 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.473 -2.018 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.540 -1.983 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.035 -3.050 -0.703 1.00 0.00 H new ATOM 1112 N ALA A 654 2.590 -7.011 -4.152 1.00 0.00 N ATOM 1113 CA ALA A 654 1.670 -7.494 -5.184 1.00 0.00 C ATOM 1114 C ALA A 654 0.573 -8.379 -4.604 1.00 0.00 C ATOM 1115 O ALA A 654 -0.598 -8.242 -4.969 1.00 0.00 O ATOM 1116 CB ALA A 654 2.430 -8.247 -6.264 1.00 0.00 C ATOM 0 H ALA A 654 3.566 -7.259 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 654 1.191 -6.619 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.731 -8.599 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.161 -7.583 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.943 -9.100 -5.820 1.00 0.00 H new ATOM 1122 N GLU A 655 0.959 -9.288 -3.711 1.00 0.00 N ATOM 1123 CA GLU A 655 -0.007 -10.166 -3.041 1.00 0.00 C ATOM 1124 C GLU A 655 -1.063 -9.338 -2.312 1.00 0.00 C ATOM 1125 O GLU A 655 -2.263 -9.581 -2.454 1.00 0.00 O ATOM 1126 CB GLU A 655 0.697 -11.127 -2.063 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.199 -11.650 -0.951 1.00 0.00 C ATOM 1128 CD GLU A 655 0.539 -12.566 0.002 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.305 -12.060 0.846 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.363 -13.800 -0.093 1.00 0.00 O ATOM 0 H GLU A 655 1.929 -9.438 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.500 -10.768 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.093 -11.974 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.549 -10.614 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.612 -10.808 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -1.041 -12.187 -1.388 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.605 -8.347 -1.552 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.502 -7.461 -0.822 1.00 0.00 C ATOM 1139 C LYS A 656 -2.450 -6.737 -1.781 1.00 0.00 C ATOM 1140 O LYS A 656 -3.638 -6.586 -1.497 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.693 -6.444 -0.014 1.00 0.00 C ATOM 1142 CG LYS A 656 -1.549 -5.498 0.817 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.713 -4.390 1.437 1.00 0.00 C ATOM 1144 CE LYS A 656 0.247 -4.919 2.491 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.444 -5.268 3.759 1.00 0.00 N ATOM 0 H LYS A 656 0.386 -8.138 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 656 -2.100 -8.064 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 656 -0.012 -6.979 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -0.078 -5.858 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -2.325 -5.061 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -2.053 -6.058 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.148 -3.882 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -1.372 -3.648 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.758 -5.800 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.012 -4.169 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 0.262 -5.477 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.034 -4.468 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.045 -6.103 3.608 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.922 -6.304 -2.923 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.716 -5.568 -3.899 1.00 0.00 C ATOM 1161 C ILE A 657 -3.810 -6.459 -4.491 1.00 0.00 C ATOM 1162 O ILE A 657 -4.951 -6.027 -4.649 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.843 -4.986 -5.038 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.754 -4.078 -4.457 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.710 -4.205 -6.020 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.179 -3.496 -5.499 1.00 0.00 C ATOM 0 H ILE A 657 -0.950 -6.450 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.177 -4.735 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.367 -5.810 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.228 -3.262 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.168 -4.646 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.084 -3.801 -6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.461 -4.868 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.205 -3.387 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.922 -2.865 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.682 -4.305 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.395 -2.899 -6.208 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.464 -7.700 -4.822 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.450 -8.630 -5.370 1.00 0.00 C ATOM 1180 C TYR A 658 -5.517 -8.942 -4.319 1.00 0.00 C ATOM 1181 O TYR A 658 -6.697 -9.073 -4.648 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.808 -9.923 -5.906 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.671 -10.632 -6.941 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.241 -9.919 -7.995 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.919 -12.004 -6.876 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.031 -10.546 -8.939 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.708 -12.632 -7.822 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.262 -11.898 -8.849 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.052 -12.522 -9.792 1.00 0.00 O ATOM 0 H TYR A 658 -2.523 -8.082 -4.723 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.921 -8.143 -6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.841 -9.685 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.619 -10.600 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.062 -8.857 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.488 -12.584 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.466 -9.975 -9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.890 -13.695 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.115 -13.478 -9.585 1.00 0.00 H new ATOM 1199 N LYS A 659 -5.096 -9.076 -3.059 1.00 0.00 N ATOM 1200 CA LYS A 659 -6.036 -9.272 -1.961 1.00 0.00 C ATOM 1201 C LYS A 659 -7.042 -8.129 -1.900 1.00 0.00 C ATOM 1202 O LYS A 659 -8.230 -8.356 -1.679 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.299 -9.418 -0.631 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.508 -10.712 -0.526 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.414 -11.925 -0.637 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.636 -13.223 -0.522 1.00 0.00 C ATOM 1207 NZ LYS A 659 -5.511 -14.406 -0.730 1.00 0.00 N ATOM 0 H LYS A 659 -4.116 -9.052 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.583 -10.196 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.621 -8.574 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -6.021 -9.373 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.755 -10.745 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.976 -10.739 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -6.172 -11.885 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.940 -11.900 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.831 -13.232 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -4.170 -13.283 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -4.946 -15.275 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -6.265 -14.411 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.936 -14.361 -1.678 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.559 -6.909 -2.123 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.431 -5.741 -2.227 1.00 0.00 C ATOM 1223 C ILE A 660 -8.481 -5.956 -3.317 1.00 0.00 C ATOM 1224 O ILE A 660 -9.643 -5.592 -3.146 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.621 -4.433 -2.480 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.762 -3.487 -1.295 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.044 -3.710 -3.764 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.934 -2.231 -1.434 1.00 0.00 C ATOM 0 H ILE A 660 -5.566 -6.703 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.941 -5.621 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.579 -4.731 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.811 -3.212 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.468 -4.009 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.446 -2.807 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.889 -4.367 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.098 -3.441 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.080 -1.600 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.880 -2.497 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.244 -1.688 -2.327 1.00 0.00 H new ATOM 1240 N GLN A 661 -8.080 -6.585 -4.424 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.998 -6.798 -5.546 1.00 0.00 C ATOM 1242 C GLN A 661 -10.089 -7.775 -5.126 1.00 0.00 C ATOM 1243 O GLN A 661 -11.262 -7.618 -5.472 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.285 -7.321 -6.806 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.247 -6.368 -7.396 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.764 -6.829 -8.758 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -7.509 -7.457 -9.510 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.520 -6.527 -9.084 1.00 0.00 N ATOM 0 H GLN A 661 -7.139 -6.952 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.430 -5.831 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.796 -8.265 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -9.034 -7.536 -7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.678 -5.371 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.398 -6.291 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -4.934 -6.005 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.145 -6.816 -9.987 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.672 -8.787 -4.372 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.577 -9.797 -3.853 1.00 0.00 C ATOM 1259 C LYS A 662 -11.547 -9.160 -2.864 1.00 0.00 C ATOM 1260 O LYS A 662 -12.745 -9.432 -2.890 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.778 -10.918 -3.175 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.621 -12.071 -2.645 1.00 0.00 C ATOM 1263 CD LYS A 662 -11.388 -12.771 -3.757 1.00 0.00 C ATOM 1264 CE LYS A 662 -11.957 -14.110 -3.298 1.00 0.00 C ATOM 1265 NZ LYS A 662 -12.882 -13.975 -2.140 1.00 0.00 N ATOM 0 H LYS A 662 -8.697 -8.927 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 662 -11.147 -10.227 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -9.055 -11.313 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -9.210 -10.492 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.976 -12.790 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -11.323 -11.695 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -12.200 -12.129 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -10.728 -12.930 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -12.486 -14.579 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -11.137 -14.775 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -13.146 -14.920 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -12.410 -13.447 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -13.738 -13.464 -2.437 1.00 0.00 H new ATOM 1279 N GLU A 663 -11.015 -8.305 -1.999 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.827 -7.615 -1.006 1.00 0.00 C ATOM 1281 C GLU A 663 -12.827 -6.675 -1.663 1.00 0.00 C ATOM 1282 O GLU A 663 -13.999 -6.668 -1.294 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.954 -6.848 -0.021 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.068 -7.747 0.818 1.00 0.00 C ATOM 1285 CD GLU A 663 -9.514 -7.044 2.032 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.305 -6.758 2.960 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -8.296 -6.791 2.069 1.00 0.00 O ATOM 0 H GLU A 663 -10.022 -8.073 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.383 -8.375 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.329 -6.144 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.592 -6.260 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -10.639 -8.619 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.243 -8.112 0.206 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.371 -5.895 -2.643 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.259 -5.008 -3.393 1.00 0.00 C ATOM 1296 C LEU A 664 -14.404 -5.812 -3.994 1.00 0.00 C ATOM 1297 O LEU A 664 -15.556 -5.372 -4.001 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.497 -4.279 -4.506 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.399 -3.321 -4.036 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.635 -2.763 -5.226 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.993 -2.193 -3.211 1.00 0.00 C ATOM 0 H LEU A 664 -11.394 -5.859 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.658 -4.262 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.048 -5.024 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.214 -3.717 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.703 -3.877 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.858 -2.084 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.177 -3.582 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.321 -2.222 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.198 -1.522 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.711 -1.639 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.498 -2.607 -2.338 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.069 -6.997 -4.488 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.053 -7.914 -5.033 1.00 0.00 C ATOM 1315 C GLU A 665 -16.050 -8.310 -3.947 1.00 0.00 C ATOM 1316 O GLU A 665 -17.260 -8.213 -4.136 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.348 -9.161 -5.573 1.00 0.00 C ATOM 1318 CG GLU A 665 -15.223 -10.039 -6.448 1.00 0.00 C ATOM 1319 CD GLU A 665 -15.584 -9.368 -7.755 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -14.671 -9.137 -8.577 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -16.779 -9.072 -7.970 1.00 0.00 O ATOM 0 H GLU A 665 -13.111 -7.345 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.590 -7.425 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.474 -8.851 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.984 -9.752 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -14.704 -10.975 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -16.135 -10.292 -5.908 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.521 -8.715 -2.795 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.334 -9.175 -1.674 1.00 0.00 C ATOM 1330 C GLU A 666 -17.298 -8.098 -1.187 1.00 0.00 C ATOM 1331 O GLU A 666 -18.456 -8.385 -0.888 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.443 -9.611 -0.511 1.00 0.00 C ATOM 1333 CG GLU A 666 -14.557 -10.800 -0.831 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.351 -12.019 -1.242 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -16.128 -12.535 -0.412 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -15.196 -12.477 -2.393 1.00 0.00 O ATOM 0 H GLU A 666 -14.518 -8.733 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.919 -10.022 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.815 -8.772 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -16.072 -9.858 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -13.869 -10.531 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -13.951 -11.043 0.042 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.816 -6.860 -1.112 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.623 -5.751 -0.610 1.00 0.00 C ATOM 1345 C LYS A 667 -18.875 -5.571 -1.456 1.00 0.00 C ATOM 1346 O LYS A 667 -19.964 -5.336 -0.933 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.822 -4.438 -0.613 1.00 0.00 C ATOM 1348 CG LYS A 667 -15.468 -4.497 0.091 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.575 -5.088 1.490 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.351 -4.177 2.424 1.00 0.00 C ATOM 1351 NZ LYS A 667 -16.511 -4.772 3.776 1.00 0.00 N ATOM 0 H LYS A 667 -15.871 -6.599 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.908 -5.993 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -16.662 -4.132 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -17.425 -3.663 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -14.777 -5.095 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -15.048 -3.493 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -16.066 -6.060 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -14.576 -5.256 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.836 -3.220 2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -17.334 -3.974 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -16.544 -4.014 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -17.395 -5.319 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.707 -5.400 3.976 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.716 -5.690 -2.764 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.822 -5.502 -3.675 1.00 0.00 C ATOM 1367 C ARG A 668 -20.651 -6.763 -3.766 1.00 0.00 C ATOM 1368 O ARG A 668 -21.875 -6.722 -3.862 1.00 0.00 O ATOM 1369 CB ARG A 668 -19.303 -5.080 -5.057 1.00 0.00 C ATOM 1370 CG ARG A 668 -20.281 -4.244 -5.881 1.00 0.00 C ATOM 1371 CD ARG A 668 -21.051 -5.067 -6.908 1.00 0.00 C ATOM 1372 NE ARG A 668 -22.125 -5.857 -6.308 1.00 0.00 N ATOM 1373 CZ ARG A 668 -23.180 -6.320 -6.976 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -23.313 -6.068 -8.270 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -24.106 -7.030 -6.342 1.00 0.00 N ATOM 0 H ARG A 668 -17.829 -5.916 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.463 -4.706 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.382 -4.512 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -19.047 -5.976 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -20.988 -3.757 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -19.732 -3.454 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -21.473 -4.400 -7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -20.361 -5.734 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 668 -22.062 -6.067 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -22.606 -5.518 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -24.122 -6.424 -8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -24.009 -7.220 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -24.915 -7.385 -6.852 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.967 -7.870 -3.687 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.580 -9.176 -3.891 1.00 0.00 C ATOM 1391 C ARG A 669 -21.479 -9.536 -2.716 1.00 0.00 C ATOM 1392 O ARG A 669 -22.542 -10.125 -2.902 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.496 -10.250 -4.084 1.00 0.00 C ATOM 1394 CG ARG A 669 -19.993 -11.553 -4.707 1.00 0.00 C ATOM 1395 CD ARG A 669 -20.745 -12.428 -3.715 1.00 0.00 C ATOM 1396 NE ARG A 669 -21.388 -13.564 -4.371 1.00 0.00 N ATOM 1397 CZ ARG A 669 -22.225 -14.402 -3.763 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -22.493 -14.261 -2.471 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -22.782 -15.393 -4.447 1.00 0.00 N ATOM 0 H ARG A 669 -18.969 -7.905 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.193 -9.132 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.706 -9.840 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.049 -10.474 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -20.645 -11.323 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -19.143 -12.108 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -20.054 -12.791 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -21.499 -11.830 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 669 -21.183 -13.725 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -22.057 -13.508 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -23.135 -14.906 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -22.569 -15.512 -5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -23.423 -16.036 -3.983 1.00 0.00 H new ATOM 1413 N SER A 670 -21.054 -9.175 -1.512 1.00 0.00 N ATOM 1414 CA SER A 670 -21.851 -9.449 -0.330 1.00 0.00 C ATOM 1415 C SER A 670 -23.203 -8.723 -0.400 1.00 0.00 C ATOM 1416 O SER A 670 -24.233 -9.313 -0.061 1.00 0.00 O ATOM 1417 CB SER A 670 -21.066 -9.146 0.966 1.00 0.00 C ATOM 1418 OG SER A 670 -21.915 -9.138 2.101 1.00 0.00 O ATOM 0 H SER A 670 -20.171 -8.697 -1.332 1.00 0.00 H new ATOM 0 HA SER A 670 -22.071 -10.516 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 670 -20.284 -9.893 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 670 -20.571 -8.179 0.875 1.00 0.00 H new ATOM 0 HG SER A 670 -21.387 -8.945 2.903 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.224 -7.455 -0.828 1.00 0.00 N ATOM 1425 CA ARG A 671 -24.472 -6.784 -1.142 1.00 0.00 C ATOM 1426 C ARG A 671 -25.147 -7.425 -2.350 1.00 0.00 C ATOM 1427 O ARG A 671 -24.768 -7.175 -3.497 1.00 0.00 O ATOM 1428 CB ARG A 671 -24.185 -5.308 -1.412 1.00 0.00 C ATOM 1429 CG ARG A 671 -25.420 -4.430 -1.488 1.00 0.00 C ATOM 1430 CD ARG A 671 -25.029 -2.974 -1.677 1.00 0.00 C ATOM 1431 NE ARG A 671 -24.112 -2.524 -0.626 1.00 0.00 N ATOM 1432 CZ ARG A 671 -23.068 -1.717 -0.833 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -22.783 -1.290 -2.058 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -22.298 -1.352 0.187 1.00 0.00 N ATOM 0 H ARG A 671 -22.390 -6.883 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 671 -25.153 -6.878 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -23.533 -4.928 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -23.636 -5.223 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -26.052 -4.753 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -26.007 -4.539 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -24.558 -2.846 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -25.924 -2.352 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.282 -2.848 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -23.363 -1.578 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -21.985 -0.674 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -22.504 -1.688 1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -21.501 -0.736 0.029 1.00 0.00 H new ATOM 1448 N LEU A 672 -26.139 -8.259 -2.084 1.00 0.00 N ATOM 1449 CA LEU A 672 -26.866 -8.948 -3.135 1.00 0.00 C ATOM 1450 C LEU A 672 -28.026 -8.083 -3.622 1.00 0.00 C ATOM 1451 O LEU A 672 -27.936 -7.525 -4.734 1.00 0.00 O ATOM 1452 CB LEU A 672 -27.396 -10.292 -2.608 1.00 0.00 C ATOM 1453 CG LEU A 672 -26.344 -11.222 -2.000 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -27.011 -12.428 -1.362 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -25.342 -11.666 -3.053 1.00 0.00 C ATOM 1456 OXT LEU A 672 -29.021 -7.952 -2.879 1.00 0.00 O ATOM 0 H LEU A 672 -26.460 -8.476 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 672 -26.191 -9.135 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -28.158 -10.092 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -27.888 -10.815 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 672 -25.806 -10.671 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -26.250 -13.080 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -27.688 -12.095 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -27.574 -12.975 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -24.604 -12.326 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -25.863 -12.198 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -24.840 -10.792 -3.469 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 2.138 -10.746 11.013 1.00 0.00 N ATOM 1470 CA ASP B 840 1.054 -10.059 10.309 1.00 0.00 C ATOM 1471 C ASP B 840 1.562 -8.806 9.601 1.00 0.00 C ATOM 1472 O ASP B 840 1.620 -7.718 10.180 1.00 0.00 O ATOM 1473 CB ASP B 840 -0.096 -9.679 11.276 1.00 0.00 C ATOM 1474 CG ASP B 840 -1.380 -9.365 10.535 1.00 0.00 C ATOM 1475 OD1 ASP B 840 -2.090 -10.314 10.140 1.00 0.00 O ATOM 1476 OD2 ASP B 840 -1.689 -8.170 10.345 1.00 0.00 O ATOM 0 HA ASP B 840 0.668 -10.754 9.563 1.00 0.00 H new ATOM 0 HB2 ASP B 840 -0.270 -10.499 11.972 1.00 0.00 H new ATOM 0 HB3 ASP B 840 0.201 -8.815 11.870 1.00 0.00 H new ATOM 1481 N ALA B 841 1.935 -8.969 8.339 1.00 0.00 N ATOM 1482 CA ALA B 841 2.283 -7.838 7.488 1.00 0.00 C ATOM 1483 C ALA B 841 1.041 -7.370 6.740 1.00 0.00 C ATOM 1484 O ALA B 841 1.089 -6.475 5.888 1.00 0.00 O ATOM 1485 CB ALA B 841 3.386 -8.221 6.511 1.00 0.00 C ATOM 0 H ALA B 841 2.005 -9.877 7.880 1.00 0.00 H new ATOM 0 HA ALA B 841 2.656 -7.023 8.109 1.00 0.00 H new ATOM 0 HB1 ALA B 841 3.631 -7.363 5.885 1.00 0.00 H new ATOM 0 HB2 ALA B 841 4.272 -8.531 7.066 1.00 0.00 H new ATOM 0 HB3 ALA B 841 3.046 -9.044 5.882 1.00 0.00 H new ATOM 1491 N GLY B 842 -0.073 -8.006 7.075 1.00 0.00 N ATOM 1492 CA GLY B 842 -1.344 -7.682 6.478 1.00 0.00 C ATOM 1493 C GLY B 842 -1.483 -8.257 5.099 1.00 0.00 C ATOM 1494 O GLY B 842 -1.572 -7.533 4.113 1.00 0.00 O ATOM 0 H GLY B 842 -0.113 -8.756 7.765 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.148 -8.059 7.110 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -1.457 -6.599 6.432 1.00 0.00 H new ATOM 1498 N ASN B 843 -1.498 -9.572 5.036 1.00 0.00 N ATOM 1499 CA ASN B 843 -1.688 -10.269 3.771 1.00 0.00 C ATOM 1500 C ASN B 843 -3.049 -9.911 3.201 1.00 0.00 C ATOM 1501 O ASN B 843 -3.222 -9.797 1.994 1.00 0.00 O ATOM 1502 CB ASN B 843 -1.559 -11.784 3.956 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.146 -12.207 4.313 1.00 0.00 C ATOM 1504 OD1 ASN B 843 0.844 -11.516 3.768 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 0.060 -13.160 5.063 1.00 0.00 N flip ATOM 0 H ASN B 843 -1.381 -10.184 5.843 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.912 -9.956 3.072 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.242 -12.111 4.740 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.864 -12.286 3.038 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -0.725 -13.671 5.466 1.00 0.00 H new ATOM 0 HD22 ASN B 843 1.016 -13.439 5.282 1.00 0.00 H new ATOM 1512 N ILE B 844 -4.002 -9.721 4.097 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.313 -9.200 3.739 1.00 0.00 C ATOM 1514 C ILE B 844 -5.520 -7.886 4.490 1.00 0.00 C ATOM 1515 O ILE B 844 -5.130 -7.771 5.654 1.00 0.00 O ATOM 1516 CB ILE B 844 -6.451 -10.199 4.080 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -6.104 -11.595 3.545 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -7.769 -9.722 3.487 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -7.160 -12.642 3.823 1.00 0.00 C ATOM 0 H ILE B 844 -3.891 -9.922 5.091 1.00 0.00 H new ATOM 0 HA ILE B 844 -5.349 -9.041 2.661 1.00 0.00 H new ATOM 0 HB ILE B 844 -6.556 -10.253 5.164 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -5.945 -11.531 2.468 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -5.162 -11.918 3.987 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.558 -10.433 3.734 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -8.020 -8.744 3.898 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.675 -9.647 2.404 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -6.839 -13.600 3.413 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -7.303 -12.737 4.899 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -8.099 -12.344 3.357 1.00 0.00 H new ATOM 1531 N LEU B 845 -6.109 -6.898 3.832 1.00 0.00 N ATOM 1532 CA LEU B 845 -6.235 -5.567 4.410 1.00 0.00 C ATOM 1533 C LEU B 845 -7.420 -5.511 5.367 1.00 0.00 C ATOM 1534 O LEU B 845 -8.213 -6.448 5.434 1.00 0.00 O ATOM 1535 CB LEU B 845 -6.404 -4.512 3.308 1.00 0.00 C ATOM 1536 CG LEU B 845 -5.200 -4.308 2.383 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -5.210 -5.311 1.236 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -5.181 -2.882 1.859 1.00 0.00 C ATOM 0 H LEU B 845 -6.507 -6.992 2.898 1.00 0.00 H new ATOM 0 HA LEU B 845 -5.322 -5.351 4.965 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -7.264 -4.788 2.697 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -6.641 -3.558 3.779 1.00 0.00 H new ATOM 0 HG LEU B 845 -4.291 -4.480 2.959 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -4.344 -5.141 0.597 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -5.172 -6.324 1.638 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -6.122 -5.187 0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -4.321 -2.747 1.202 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -6.097 -2.687 1.302 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -5.111 -2.188 2.696 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.530 -4.439 6.169 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.713 -4.206 6.996 1.00 0.00 C ATOM 1552 C PRO B 846 -9.943 -3.913 6.140 1.00 0.00 C ATOM 1553 O PRO B 846 -9.926 -3.025 5.281 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.340 -2.981 7.843 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.859 -2.853 7.722 1.00 0.00 C ATOM 1556 CD PRO B 846 -6.511 -3.398 6.369 1.00 0.00 C ATOM 0 HA PRO B 846 -8.972 -5.077 7.598 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.843 -2.085 7.480 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.639 -3.116 8.882 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.547 -1.813 7.817 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.353 -3.410 8.510 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -6.560 -2.629 5.598 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.502 -3.809 6.345 1.00 0.00 H new ATOM 1564 N SER B 847 -11.007 -4.665 6.406 1.00 0.00 N ATOM 1565 CA SER B 847 -12.252 -4.585 5.650 1.00 0.00 C ATOM 1566 C SER B 847 -12.798 -3.160 5.614 1.00 0.00 C ATOM 1567 O SER B 847 -13.342 -2.721 4.601 1.00 0.00 O ATOM 1568 CB SER B 847 -13.284 -5.527 6.268 1.00 0.00 C ATOM 1569 OG SER B 847 -12.807 -6.862 6.272 1.00 0.00 O ATOM 0 H SER B 847 -11.029 -5.353 7.159 1.00 0.00 H new ATOM 0 HA SER B 847 -12.047 -4.885 4.622 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.506 -5.212 7.288 1.00 0.00 H new ATOM 0 HB3 SER B 847 -14.217 -5.471 5.707 1.00 0.00 H new ATOM 0 HG SER B 847 -13.481 -7.449 6.673 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.655 -2.455 6.732 1.00 0.00 N ATOM 1576 CA ASP B 848 -13.186 -1.097 6.882 1.00 0.00 C ATOM 1577 C ASP B 848 -12.658 -0.139 5.808 1.00 0.00 C ATOM 1578 O ASP B 848 -13.401 0.707 5.314 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.860 -0.539 8.265 1.00 0.00 C ATOM 1580 CG ASP B 848 -13.582 0.763 8.532 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -14.737 0.722 9.006 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -13.004 1.835 8.268 1.00 0.00 O ATOM 0 H ASP B 848 -12.170 -2.804 7.559 1.00 0.00 H new ATOM 0 HA ASP B 848 -14.267 -1.172 6.761 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -13.136 -1.270 9.026 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -11.785 -0.382 8.349 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.374 -0.254 5.459 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.790 0.628 4.442 1.00 0.00 C ATOM 1589 C ILE B 849 -11.492 0.397 3.105 1.00 0.00 C ATOM 1590 O ILE B 849 -11.785 1.335 2.363 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.262 0.414 4.254 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.557 0.208 5.605 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.656 1.608 3.520 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.599 1.411 6.531 1.00 0.00 C ATOM 0 H ILE B 849 -10.728 -0.936 5.856 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.934 1.651 4.790 1.00 0.00 H new ATOM 0 HB ILE B 849 -9.115 -0.487 3.659 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -9.015 -0.641 6.113 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.516 -0.055 5.420 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.585 1.451 3.392 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.127 1.711 2.543 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.823 2.515 4.101 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.078 1.174 7.459 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.113 2.259 6.048 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.636 1.664 6.752 1.00 0.00 H new ATOM 1606 N MET B 850 -11.767 -0.870 2.823 1.00 0.00 N ATOM 1607 CA MET B 850 -12.496 -1.266 1.623 1.00 0.00 C ATOM 1608 C MET B 850 -13.925 -0.725 1.657 1.00 0.00 C ATOM 1609 O MET B 850 -14.470 -0.320 0.633 1.00 0.00 O ATOM 1610 CB MET B 850 -12.505 -2.793 1.484 1.00 0.00 C ATOM 1611 CG MET B 850 -11.122 -3.417 1.331 1.00 0.00 C ATOM 1612 SD MET B 850 -10.269 -2.913 -0.181 1.00 0.00 S ATOM 1613 CE MET B 850 -9.383 -1.454 0.365 1.00 0.00 C ATOM 0 H MET B 850 -11.492 -1.652 3.418 1.00 0.00 H new ATOM 0 HA MET B 850 -11.989 -0.841 0.757 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.990 -3.223 2.360 1.00 0.00 H new ATOM 0 HB3 MET B 850 -13.111 -3.064 0.619 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.511 -3.144 2.192 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.219 -4.503 1.340 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.791 -0.573 -0.131 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.491 -1.345 1.444 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.327 -1.555 0.114 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.532 -0.741 2.841 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.878 -0.192 3.029 1.00 0.00 C ATOM 1625 C ASP B 851 -15.948 1.259 2.565 1.00 0.00 C ATOM 1626 O ASP B 851 -16.934 1.669 1.952 1.00 0.00 O ATOM 1627 CB ASP B 851 -16.308 -0.271 4.505 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.999 -1.573 4.856 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -16.310 -2.548 5.220 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -18.247 -1.622 4.783 1.00 0.00 O ATOM 0 H ASP B 851 -14.115 -1.128 3.687 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.558 -0.794 2.426 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.430 -0.150 5.140 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.978 0.560 4.727 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.902 2.026 2.856 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.877 3.449 2.527 1.00 0.00 C ATOM 1637 C PHE B 852 -14.996 3.685 1.023 1.00 0.00 C ATOM 1638 O PHE B 852 -15.792 4.516 0.591 1.00 0.00 O ATOM 1639 CB PHE B 852 -13.603 4.116 3.058 1.00 0.00 C ATOM 1640 CG PHE B 852 -13.512 5.584 2.727 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -14.559 6.442 3.030 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -12.385 6.104 2.109 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -14.483 7.788 2.723 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -12.304 7.451 1.802 1.00 0.00 C ATOM 1645 CZ PHE B 852 -13.355 8.292 2.109 1.00 0.00 C ATOM 0 H PHE B 852 -14.059 1.687 3.319 1.00 0.00 H new ATOM 0 HA PHE B 852 -15.742 3.901 3.013 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -13.561 3.992 4.140 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.734 3.604 2.645 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -15.444 6.054 3.512 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -11.561 5.450 1.864 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -15.306 8.444 2.964 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -11.420 7.844 1.323 1.00 0.00 H new ATOM 0 HZ PHE B 852 -13.294 9.343 1.869 1.00 0.00 H new ATOM 1655 N VAL B 853 -14.222 2.953 0.228 1.00 0.00 N ATOM 1656 CA VAL B 853 -14.219 3.166 -1.218 1.00 0.00 C ATOM 1657 C VAL B 853 -15.592 2.846 -1.820 1.00 0.00 C ATOM 1658 O VAL B 853 -16.049 3.524 -2.742 1.00 0.00 O ATOM 1659 CB VAL B 853 -13.097 2.378 -1.943 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -13.313 0.875 -1.871 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -12.982 2.831 -3.391 1.00 0.00 C ATOM 0 H VAL B 853 -13.596 2.216 0.553 1.00 0.00 H new ATOM 0 HA VAL B 853 -14.005 4.223 -1.376 1.00 0.00 H new ATOM 0 HB VAL B 853 -12.162 2.594 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -12.503 0.366 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -13.329 0.559 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -14.263 0.621 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.190 2.269 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.928 2.655 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.745 3.895 -3.422 1.00 0.00 H new ATOM 1671 N LEU B 854 -16.237 1.803 -1.311 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.612 1.494 -1.691 1.00 0.00 C ATOM 1673 C LEU B 854 -18.552 2.607 -1.223 1.00 0.00 C ATOM 1674 O LEU B 854 -19.479 2.991 -1.936 1.00 0.00 O ATOM 1675 CB LEU B 854 -18.061 0.144 -1.106 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.733 -1.123 -1.925 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -18.633 -1.249 -3.152 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -16.271 -1.144 -2.344 1.00 0.00 C ATOM 0 H LEU B 854 -15.831 1.157 -0.634 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.653 1.423 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.609 0.036 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -19.140 0.182 -0.959 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.921 -1.979 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -18.372 -2.153 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -19.674 -1.305 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -18.496 -0.380 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -16.070 -2.048 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -16.056 -0.269 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -15.638 -1.130 -1.457 1.00 0.00 H new ATOM 1690 N LYS B 855 -18.290 3.128 -0.025 1.00 0.00 N ATOM 1691 CA LYS B 855 -19.175 4.110 0.609 1.00 0.00 C ATOM 1692 C LYS B 855 -19.151 5.455 -0.114 1.00 0.00 C ATOM 1693 O LYS B 855 -20.193 6.092 -0.284 1.00 0.00 O ATOM 1694 CB LYS B 855 -18.804 4.312 2.091 1.00 0.00 C ATOM 1695 CG LYS B 855 -19.663 5.353 2.816 1.00 0.00 C ATOM 1696 CD LYS B 855 -21.136 4.969 2.826 1.00 0.00 C ATOM 1697 CE LYS B 855 -21.387 3.697 3.621 1.00 0.00 C ATOM 1698 NZ LYS B 855 -20.984 3.842 5.045 1.00 0.00 N ATOM 0 H LYS B 855 -17.469 2.886 0.530 1.00 0.00 H new ATOM 0 HA LYS B 855 -20.186 3.708 0.543 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -18.894 3.358 2.610 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -17.758 4.612 2.155 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -19.310 5.464 3.841 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -19.544 6.322 2.332 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -21.720 5.784 3.252 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -21.482 4.831 1.802 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -22.445 3.439 3.568 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -20.835 2.873 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.367 3.048 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -19.946 3.843 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -21.356 4.737 5.422 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.976 5.885 -0.551 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.841 7.215 -1.136 1.00 0.00 C ATOM 1714 C ASN B 856 -18.014 7.157 -2.651 1.00 0.00 C ATOM 1715 O ASN B 856 -17.712 6.146 -3.287 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.482 7.834 -0.771 1.00 0.00 C ATOM 1717 CG ASN B 856 -15.359 7.423 -1.709 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -14.766 6.358 -1.563 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.039 8.286 -2.661 1.00 0.00 N ATOM 0 H ASN B 856 -17.113 5.343 -0.514 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.627 7.849 -0.725 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.572 8.920 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -16.220 7.543 0.246 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -14.276 8.076 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -15.555 9.161 -2.751 1.00 0.00 H new ATOM 1726 N THR B 857 -18.525 8.235 -3.222 1.00 0.00 N ATOM 1727 CA THR B 857 -18.753 8.311 -4.653 1.00 0.00 C ATOM 1728 C THR B 857 -18.330 9.678 -5.193 1.00 0.00 C ATOM 1729 O THR B 857 -19.080 10.649 -5.095 1.00 0.00 O ATOM 1730 CB THR B 857 -20.239 8.054 -4.984 1.00 0.00 C ATOM 1731 OG1 THR B 857 -20.642 6.781 -4.457 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.485 8.080 -6.485 1.00 0.00 C ATOM 0 H THR B 857 -18.791 9.076 -2.710 1.00 0.00 H new ATOM 0 HA THR B 857 -18.149 7.540 -5.131 1.00 0.00 H new ATOM 0 HB THR B 857 -20.827 8.849 -4.526 1.00 0.00 H new ATOM 0 HG1 THR B 857 -21.586 6.623 -4.668 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.541 7.896 -6.684 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.206 9.056 -6.883 1.00 0.00 H new ATOM 0 HG23 THR B 857 -19.885 7.307 -6.965 1.00 0.00 H new ATOM 1740 N PRO B 858 -17.109 9.777 -5.741 1.00 0.00 N ATOM 1741 CA PRO B 858 -16.596 11.014 -6.325 1.00 0.00 C ATOM 1742 C PRO B 858 -17.237 11.305 -7.679 1.00 0.00 C ATOM 1743 O PRO B 858 -16.887 10.624 -8.667 1.00 0.00 O ATOM 1744 CB PRO B 858 -15.088 10.756 -6.490 1.00 0.00 C ATOM 1745 CG PRO B 858 -14.822 9.436 -5.839 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.126 8.695 -5.839 1.00 0.00 C ATOM 1747 OXT PRO B 858 -18.093 12.210 -7.751 1.00 0.00 O ATOM 0 HA PRO B 858 -16.815 11.880 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.809 10.735 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -14.503 11.547 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -14.059 8.880 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -14.452 9.571 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -16.259 8.108 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.199 8.004 -5.000 1.00 0.00 H new TER 1755 PRO B 858