USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1065 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: B 660 SER OG : rot -171:sc= 1.34 USER MOD Set 1.2: B 666 THR OG1 : rot -75:sc= 1.42 USER MOD Set 2.1: B 614 SER OG : rot 58:sc= -0.519 USER MOD Set 2.2: B 685 SER OG : rot 161:sc= -1.55! USER MOD Set 3.1: B 610 LYS NZ :NH3+ 161:sc= 1.27 (180deg=-0.0247) USER MOD Set 3.2: B 687 THR OG1 : rot -41:sc= 1.07 USER MOD Single : A 38 HIS : no HD1:sc= -2.05 X(o=-2,f=-1.8) USER MOD Single : A 39 SER OG : rot 70:sc= 1.74 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 48 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.6) USER MOD Single : B 570 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : B 574 TYR OH : rot 180:sc= -0.084 USER MOD Single : B 576 MET CE :methyl -135:sc= 0 (180deg=-0.208) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 78:sc= 1.22 USER MOD Single : B 582 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 585 ASN : amide:sc= -2.74! C(o=-2.7!,f=-9.1!) USER MOD Single : B 589 LYS NZ :NH3+ 136:sc= 1.08 (180deg=-1.67) USER MOD Single : B 590 LYS NZ :NH3+ 149:sc= 1.24 (180deg=1.03) USER MOD Single : B 595 LYS NZ :NH3+ 163:sc= -0.0748 (180deg=-0.378) USER MOD Single : B 596 THR OG1 : rot -114:sc= -1.21! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 602 SER OG : rot 105:sc= 0.355 USER MOD Single : B 606 SER OG : rot 82:sc= 1.29 USER MOD Single : B 607 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1.2!) USER MOD Single : B 613 SER OG : rot 180:sc= 0 USER MOD Single : B 615 THR OG1 : rot 180:sc= -2.14! USER MOD Single : B 622 SER OG : rot 126:sc= 1.29 USER MOD Single : B 623 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 631 GLN : amide:sc= -0.37 K(o=-0.37,f=-5!) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : B 640 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 642 SER OG : rot 41:sc= 0.231 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -10.2! C(o=-14!,f=-10!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.33 USER MOD Single : B 661 CYS SG : rot 91:sc= -0.587 USER MOD Single : B 662 CYS SG : rot 180:sc= -0.946 USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.3!) USER MOD Single : B 674 CYS SG : rot 57:sc= -1.94 USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -169:sc= -0.0074 (180deg=-0.118) USER MOD Single : B 678 SER OG : rot 180:sc= -0.712 USER MOD Single : B 683 CYS SG : rot 147:sc= -2.8! USER MOD Single : B 689 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.325 -3.108 -6.118 1.00 0.00 N ATOM 2 CA VAL A 34 -17.153 -3.572 -5.349 1.00 0.00 C ATOM 3 C VAL A 34 -15.953 -3.735 -6.268 1.00 0.00 C ATOM 4 O VAL A 34 -16.094 -3.789 -7.490 1.00 0.00 O ATOM 5 CB VAL A 34 -17.457 -4.903 -4.626 1.00 0.00 C ATOM 6 CG1 VAL A 34 -17.708 -6.030 -5.618 1.00 0.00 C ATOM 7 CG2 VAL A 34 -16.355 -5.278 -3.649 1.00 0.00 C ATOM 0 HA VAL A 34 -16.922 -2.820 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.370 -4.751 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.919 -6.952 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -18.560 -5.777 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -16.825 -6.170 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.606 -6.220 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.414 -5.388 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.254 -4.495 -2.897 1.00 0.00 H new ATOM 19 N PHE A 35 -14.783 -3.800 -5.670 1.00 0.00 N ATOM 20 CA PHE A 35 -13.537 -3.906 -6.416 1.00 0.00 C ATOM 21 C PHE A 35 -12.622 -4.943 -5.792 1.00 0.00 C ATOM 22 O PHE A 35 -12.635 -5.136 -4.574 1.00 0.00 O ATOM 23 CB PHE A 35 -12.807 -2.562 -6.448 1.00 0.00 C ATOM 24 CG PHE A 35 -13.472 -1.533 -7.305 1.00 0.00 C ATOM 25 CD1 PHE A 35 -13.192 -1.457 -8.658 1.00 0.00 C ATOM 26 CD2 PHE A 35 -14.368 -0.639 -6.756 1.00 0.00 C ATOM 27 CE1 PHE A 35 -13.802 -0.505 -9.449 1.00 0.00 C ATOM 28 CE2 PHE A 35 -14.978 0.313 -7.539 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.696 0.382 -8.888 1.00 0.00 C ATOM 0 H PHE A 35 -14.663 -3.781 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.790 -4.208 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.728 -2.178 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.791 -2.720 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.490 -2.149 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.593 -0.687 -5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.580 -0.455 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.678 1.007 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.175 1.129 -9.503 1.00 0.00 H new ATOM 39 N PRO A 36 -11.836 -5.636 -6.630 1.00 0.00 N ATOM 40 CA PRO A 36 -10.763 -6.516 -6.165 1.00 0.00 C ATOM 41 C PRO A 36 -9.799 -5.762 -5.258 1.00 0.00 C ATOM 42 O PRO A 36 -9.455 -4.607 -5.524 1.00 0.00 O ATOM 43 CB PRO A 36 -10.073 -6.952 -7.457 1.00 0.00 C ATOM 44 CG PRO A 36 -11.128 -6.830 -8.496 1.00 0.00 C ATOM 45 CD PRO A 36 -11.948 -5.637 -8.099 1.00 0.00 C ATOM 0 HA PRO A 36 -11.127 -7.358 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.216 -6.318 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.702 -7.975 -7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.691 -6.694 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.741 -7.730 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.559 -4.716 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.984 -5.732 -8.425 1.00 0.00 H new ATOM 53 N TRP A 37 -9.356 -6.431 -4.206 1.00 0.00 N ATOM 54 CA TRP A 37 -8.657 -5.789 -3.105 1.00 0.00 C ATOM 55 C TRP A 37 -7.374 -5.047 -3.503 1.00 0.00 C ATOM 56 O TRP A 37 -6.917 -4.180 -2.755 1.00 0.00 O ATOM 57 CB TRP A 37 -8.376 -6.802 -1.995 1.00 0.00 C ATOM 58 CG TRP A 37 -7.786 -8.096 -2.467 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.427 -9.095 -3.146 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.447 -8.546 -2.268 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.565 -10.127 -3.389 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.346 -9.819 -2.858 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.323 -7.999 -1.653 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.171 -10.547 -2.847 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.152 -8.727 -1.648 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.087 -9.990 -2.241 1.00 0.00 C ATOM 0 H TRP A 37 -9.472 -7.438 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.331 -5.013 -2.742 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.697 -6.350 -1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.307 -7.013 -1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.464 -9.072 -3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.795 -10.987 -3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.368 -7.025 -1.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.115 -11.524 -3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.271 -8.314 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.156 -10.537 -2.218 1.00 0.00 H new ATOM 77 N HIS A 38 -6.783 -5.357 -4.658 1.00 0.00 N ATOM 78 CA HIS A 38 -5.625 -4.594 -5.123 1.00 0.00 C ATOM 79 C HIS A 38 -6.045 -3.202 -5.638 1.00 0.00 C ATOM 80 O HIS A 38 -5.696 -2.790 -6.742 1.00 0.00 O ATOM 81 CB HIS A 38 -4.844 -5.372 -6.200 1.00 0.00 C ATOM 82 CG HIS A 38 -5.530 -5.493 -7.536 1.00 0.00 C ATOM 83 ND1 HIS A 38 -4.979 -5.014 -8.707 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.711 -6.052 -7.886 1.00 0.00 C ATOM 85 CE1 HIS A 38 -5.791 -5.272 -9.714 1.00 0.00 C ATOM 86 NE2 HIS A 38 -6.849 -5.902 -9.242 1.00 0.00 N ATOM 0 H HIS A 38 -7.078 -6.113 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.961 -4.446 -4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.880 -4.885 -6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.640 -6.374 -5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.415 -6.529 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.619 -5.012 -10.748 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.642 -6.225 -9.796 1.00 0.00 H new ATOM 95 N SER A 39 -6.777 -2.476 -4.810 1.00 0.00 N ATOM 96 CA SER A 39 -7.358 -1.200 -5.202 1.00 0.00 C ATOM 97 C SER A 39 -6.655 -0.047 -4.489 1.00 0.00 C ATOM 98 O SER A 39 -6.753 1.109 -4.895 1.00 0.00 O ATOM 99 CB SER A 39 -8.858 -1.210 -4.867 1.00 0.00 C ATOM 100 OG SER A 39 -9.468 0.050 -5.098 1.00 0.00 O ATOM 0 H SER A 39 -6.986 -2.752 -3.850 1.00 0.00 H new ATOM 0 HA SER A 39 -7.227 -1.056 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.358 -1.969 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.993 -1.491 -3.823 1.00 0.00 H new ATOM 0 HG SER A 39 -9.515 0.219 -6.062 1.00 0.00 H new ATOM 106 N LEU A 40 -5.946 -0.378 -3.425 1.00 0.00 N ATOM 107 CA LEU A 40 -5.320 0.624 -2.569 1.00 0.00 C ATOM 108 C LEU A 40 -3.850 0.293 -2.360 1.00 0.00 C ATOM 109 O LEU A 40 -3.037 1.179 -2.118 1.00 0.00 O ATOM 110 CB LEU A 40 -6.045 0.672 -1.222 1.00 0.00 C ATOM 111 CG LEU A 40 -7.187 -0.345 -1.072 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.397 -0.707 0.382 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.481 0.204 -1.665 1.00 0.00 C ATOM 0 H LEU A 40 -5.786 -1.341 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.391 1.599 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.319 0.502 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.448 1.674 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.906 -1.246 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.210 -1.428 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.483 -1.144 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.649 0.190 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.276 -0.532 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.758 1.122 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.335 0.415 -2.724 1.00 0.00 H new ATOM 125 N VAL A 41 -3.515 -0.990 -2.472 1.00 0.00 N ATOM 126 CA VAL A 41 -2.157 -1.443 -2.258 1.00 0.00 C ATOM 127 C VAL A 41 -1.279 -1.158 -3.482 1.00 0.00 C ATOM 128 O VAL A 41 -1.555 -1.631 -4.587 1.00 0.00 O ATOM 129 CB VAL A 41 -2.131 -2.951 -1.910 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.762 -3.799 -3.011 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.715 -3.401 -1.634 1.00 0.00 C ATOM 0 H VAL A 41 -4.173 -1.731 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.749 -0.887 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.729 -3.094 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.723 -4.851 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.800 -3.499 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.213 -3.654 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.712 -4.463 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.100 -3.229 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.311 -2.835 -0.795 1.00 0.00 H new ATOM 141 N PRO A 42 -0.232 -0.341 -3.310 1.00 0.00 N ATOM 142 CA PRO A 42 0.721 -0.047 -4.360 1.00 0.00 C ATOM 143 C PRO A 42 1.923 -0.984 -4.323 1.00 0.00 C ATOM 144 O PRO A 42 2.643 -1.054 -3.324 1.00 0.00 O ATOM 145 CB PRO A 42 1.143 1.390 -4.046 1.00 0.00 C ATOM 146 CG PRO A 42 0.876 1.589 -2.582 1.00 0.00 C ATOM 147 CD PRO A 42 0.105 0.386 -2.082 1.00 0.00 C ATOM 0 HA PRO A 42 0.297 -0.174 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.197 1.546 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.577 2.103 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.812 1.697 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.305 2.503 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.706 -0.223 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.789 0.682 -1.533 1.00 0.00 H new ATOM 155 N PHE A 43 2.127 -1.712 -5.406 1.00 0.00 N ATOM 156 CA PHE A 43 3.275 -2.592 -5.522 1.00 0.00 C ATOM 157 C PHE A 43 4.533 -1.757 -5.718 1.00 0.00 C ATOM 158 O PHE A 43 4.653 -1.032 -6.710 1.00 0.00 O ATOM 159 CB PHE A 43 3.076 -3.558 -6.696 1.00 0.00 C ATOM 160 CG PHE A 43 4.209 -4.525 -6.907 1.00 0.00 C ATOM 161 CD1 PHE A 43 4.435 -5.557 -6.011 1.00 0.00 C ATOM 162 CD2 PHE A 43 5.037 -4.410 -8.011 1.00 0.00 C ATOM 163 CE1 PHE A 43 5.465 -6.456 -6.212 1.00 0.00 C ATOM 164 CE2 PHE A 43 6.070 -5.304 -8.216 1.00 0.00 C ATOM 165 CZ PHE A 43 6.285 -6.328 -7.315 1.00 0.00 C ATOM 0 H PHE A 43 1.511 -1.711 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 43 3.381 -3.180 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.158 -4.123 -6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.936 -2.978 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.798 -5.660 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.873 -3.612 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.628 -7.258 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.709 -5.202 -9.081 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.093 -7.027 -7.473 1.00 0.00 H new ATOM 175 N LEU A 44 5.453 -1.825 -4.758 1.00 0.00 N ATOM 176 CA LEU A 44 6.699 -1.080 -4.860 1.00 0.00 C ATOM 177 C LEU A 44 7.493 -1.598 -6.065 1.00 0.00 C ATOM 178 O LEU A 44 7.269 -2.725 -6.506 1.00 0.00 O ATOM 179 CB LEU A 44 7.494 -1.132 -3.515 1.00 0.00 C ATOM 180 CG LEU A 44 8.460 -2.309 -3.250 1.00 0.00 C ATOM 181 CD1 LEU A 44 7.850 -3.650 -3.609 1.00 0.00 C ATOM 182 CD2 LEU A 44 9.793 -2.100 -3.957 1.00 0.00 C ATOM 0 H LEU A 44 5.358 -2.383 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 44 6.495 -0.023 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.072 -0.211 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.766 -1.117 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 44 8.647 -2.327 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.569 -4.443 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.951 -3.812 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.591 -3.660 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.450 -2.945 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.627 -2.023 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.257 -1.182 -3.595 1.00 0.00 H new ATOM 194 N ALA A 45 8.380 -0.764 -6.607 1.00 0.00 N ATOM 195 CA ALA A 45 9.113 -1.089 -7.835 1.00 0.00 C ATOM 196 C ALA A 45 9.663 -2.512 -7.812 1.00 0.00 C ATOM 197 O ALA A 45 10.386 -2.880 -6.889 1.00 0.00 O ATOM 198 CB ALA A 45 10.245 -0.103 -8.042 1.00 0.00 C ATOM 0 H ALA A 45 8.611 0.148 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 45 8.409 -1.019 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.783 -0.353 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.839 0.905 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.929 -0.151 -7.194 1.00 0.00 H new ATOM 204 N PRO A 46 9.309 -3.312 -8.846 1.00 0.00 N ATOM 205 CA PRO A 46 9.682 -4.727 -8.965 1.00 0.00 C ATOM 206 C PRO A 46 11.059 -5.035 -8.395 1.00 0.00 C ATOM 207 O PRO A 46 12.081 -4.669 -8.979 1.00 0.00 O ATOM 208 CB PRO A 46 9.662 -4.941 -10.472 1.00 0.00 C ATOM 209 CG PRO A 46 8.570 -4.050 -10.960 1.00 0.00 C ATOM 210 CD PRO A 46 8.503 -2.880 -10.005 1.00 0.00 C ATOM 0 HA PRO A 46 9.012 -5.379 -8.404 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.619 -4.680 -10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.466 -5.984 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.773 -3.709 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.619 -4.582 -10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.908 -1.974 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.475 -2.660 -9.716 1.00 0.00 H new ATOM 218 N SER A 47 11.061 -5.692 -7.246 1.00 0.00 N ATOM 219 CA SER A 47 12.277 -5.989 -6.512 1.00 0.00 C ATOM 220 C SER A 47 13.247 -6.818 -7.349 1.00 0.00 C ATOM 221 O SER A 47 12.889 -7.882 -7.857 1.00 0.00 O ATOM 222 CB SER A 47 11.912 -6.728 -5.229 1.00 0.00 C ATOM 223 OG SER A 47 10.828 -6.089 -4.571 1.00 0.00 O ATOM 0 H SER A 47 10.213 -6.035 -6.795 1.00 0.00 H new ATOM 0 HA SER A 47 12.779 -5.053 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.646 -7.759 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.776 -6.763 -4.566 1.00 0.00 H new ATOM 0 HG SER A 47 10.608 -6.579 -3.751 1.00 0.00 H new ATOM 229 N GLN A 48 14.468 -6.314 -7.488 1.00 0.00 N ATOM 230 CA GLN A 48 15.499 -6.973 -8.282 1.00 0.00 C ATOM 231 C GLN A 48 15.811 -8.357 -7.725 1.00 0.00 C ATOM 232 O GLN A 48 16.465 -8.439 -6.666 1.00 0.00 O ATOM 233 CB GLN A 48 16.785 -6.135 -8.319 1.00 0.00 C ATOM 234 CG GLN A 48 16.674 -4.823 -9.089 1.00 0.00 C ATOM 235 CD GLN A 48 15.946 -3.728 -8.330 1.00 0.00 C ATOM 236 OE1 GLN A 48 16.556 -2.972 -7.576 1.00 0.00 O ATOM 237 NE2 GLN A 48 14.644 -3.623 -8.533 1.00 0.00 N ATOM 238 OXT GLN A 48 15.423 -9.360 -8.358 1.00 0.00 O ATOM 0 H GLN A 48 14.770 -5.441 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 48 15.115 -7.076 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 48 17.087 -5.914 -7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 48 17.579 -6.734 -8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.676 -4.474 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.155 -5.007 -10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.173 -4.269 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.111 -2.896 -8.056 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -18.625 17.973 -5.443 1.00 0.00 N ATOM 249 CA ALA B 567 -18.336 16.725 -4.704 1.00 0.00 C ATOM 250 C ALA B 567 -19.598 15.886 -4.566 1.00 0.00 C ATOM 251 O ALA B 567 -20.670 16.411 -4.268 1.00 0.00 O ATOM 252 CB ALA B 567 -17.763 17.040 -3.331 1.00 0.00 C ATOM 0 HA ALA B 567 -17.597 16.155 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -17.556 16.110 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -16.839 17.607 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -18.483 17.629 -2.763 1.00 0.00 H new ATOM 258 N PRO B 568 -19.492 14.570 -4.788 1.00 0.00 N ATOM 259 CA PRO B 568 -20.629 13.666 -4.675 1.00 0.00 C ATOM 260 C PRO B 568 -20.916 13.288 -3.223 1.00 0.00 C ATOM 261 O PRO B 568 -20.038 13.428 -2.368 1.00 0.00 O ATOM 262 CB PRO B 568 -20.181 12.446 -5.480 1.00 0.00 C ATOM 263 CG PRO B 568 -18.693 12.430 -5.359 1.00 0.00 C ATOM 264 CD PRO B 568 -18.254 13.861 -5.162 1.00 0.00 C ATOM 0 HA PRO B 568 -21.556 14.111 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -20.619 11.530 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -20.492 12.524 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -18.381 11.811 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -18.237 12.006 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -17.497 13.942 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -17.818 14.273 -6.072 1.00 0.00 H new ATOM 272 N PRO B 569 -22.144 12.839 -2.912 1.00 0.00 N ATOM 273 CA PRO B 569 -22.526 12.448 -1.547 1.00 0.00 C ATOM 274 C PRO B 569 -21.540 11.451 -0.946 1.00 0.00 C ATOM 275 O PRO B 569 -20.933 11.709 0.094 1.00 0.00 O ATOM 276 CB PRO B 569 -23.910 11.806 -1.719 1.00 0.00 C ATOM 277 CG PRO B 569 -24.089 11.619 -3.190 1.00 0.00 C ATOM 278 CD PRO B 569 -23.260 12.680 -3.850 1.00 0.00 C ATOM 0 HA PRO B 569 -22.531 13.298 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -23.967 10.853 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -24.692 12.445 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -23.766 10.625 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -25.138 11.714 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -22.919 12.372 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -23.817 13.608 -3.980 1.00 0.00 H new ATOM 286 N THR B 570 -21.382 10.322 -1.616 1.00 0.00 N ATOM 287 CA THR B 570 -20.382 9.342 -1.242 1.00 0.00 C ATOM 288 C THR B 570 -19.202 9.440 -2.197 1.00 0.00 C ATOM 289 O THR B 570 -19.361 9.876 -3.339 1.00 0.00 O ATOM 290 CB THR B 570 -20.962 7.916 -1.279 1.00 0.00 C ATOM 291 OG1 THR B 570 -21.660 7.703 -2.513 1.00 0.00 O ATOM 292 CG2 THR B 570 -21.904 7.684 -0.108 1.00 0.00 C ATOM 0 H THR B 570 -21.940 10.062 -2.429 1.00 0.00 H new ATOM 0 HA THR B 570 -20.056 9.550 -0.223 1.00 0.00 H new ATOM 0 HB THR B 570 -20.136 7.209 -1.204 1.00 0.00 H new ATOM 0 HG1 THR B 570 -22.025 6.793 -2.530 1.00 0.00 H new ATOM 0 HG21 THR B 570 -22.301 6.670 -0.156 1.00 0.00 H new ATOM 0 HG22 THR B 570 -21.361 7.817 0.828 1.00 0.00 H new ATOM 0 HG23 THR B 570 -22.726 8.398 -0.155 1.00 0.00 H new ATOM 300 N LEU B 571 -18.025 9.051 -1.739 1.00 0.00 N ATOM 301 CA LEU B 571 -16.840 9.118 -2.567 1.00 0.00 C ATOM 302 C LEU B 571 -16.831 7.957 -3.551 1.00 0.00 C ATOM 303 O LEU B 571 -17.524 6.960 -3.330 1.00 0.00 O ATOM 304 CB LEU B 571 -15.572 9.078 -1.714 1.00 0.00 C ATOM 305 CG LEU B 571 -15.347 10.272 -0.787 1.00 0.00 C ATOM 306 CD1 LEU B 571 -16.088 10.077 0.518 1.00 0.00 C ATOM 307 CD2 LEU B 571 -13.865 10.475 -0.530 1.00 0.00 C ATOM 0 H LEU B 571 -17.867 8.686 -0.800 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.859 10.061 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.595 8.173 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.713 8.994 -2.380 1.00 0.00 H new ATOM 0 HG LEU B 571 -15.737 11.165 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -15.916 10.937 1.166 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -17.155 9.980 0.319 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -15.727 9.174 1.010 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -13.724 11.329 0.132 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.451 9.582 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -13.354 10.660 -1.475 1.00 0.00 H new ATOM 319 N PRO B 572 -16.068 8.073 -4.655 1.00 0.00 N ATOM 320 CA PRO B 572 -15.891 6.983 -5.615 1.00 0.00 C ATOM 321 C PRO B 572 -15.651 5.641 -4.921 1.00 0.00 C ATOM 322 O PRO B 572 -14.957 5.572 -3.910 1.00 0.00 O ATOM 323 CB PRO B 572 -14.655 7.414 -6.398 1.00 0.00 C ATOM 324 CG PRO B 572 -14.705 8.900 -6.379 1.00 0.00 C ATOM 325 CD PRO B 572 -15.336 9.285 -5.068 1.00 0.00 C ATOM 0 HA PRO B 572 -16.773 6.826 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.741 7.041 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.676 7.029 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.705 9.324 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -15.288 9.280 -7.218 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.584 9.568 -4.331 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -16.006 10.137 -5.183 1.00 0.00 H new ATOM 333 N PRO B 573 -16.224 4.566 -5.468 1.00 0.00 N ATOM 334 CA PRO B 573 -16.209 3.237 -4.841 1.00 0.00 C ATOM 335 C PRO B 573 -14.843 2.569 -4.905 1.00 0.00 C ATOM 336 O PRO B 573 -14.635 1.487 -4.354 1.00 0.00 O ATOM 337 CB PRO B 573 -17.221 2.458 -5.671 1.00 0.00 C ATOM 338 CG PRO B 573 -17.167 3.100 -7.008 1.00 0.00 C ATOM 339 CD PRO B 573 -16.928 4.557 -6.757 1.00 0.00 C ATOM 0 HA PRO B 573 -16.443 3.285 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.961 1.401 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -18.220 2.519 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -16.368 2.672 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -18.098 2.946 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -16.327 5.008 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.863 5.116 -6.709 1.00 0.00 H new ATOM 347 N TYR B 574 -13.927 3.205 -5.605 1.00 0.00 N ATOM 348 CA TYR B 574 -12.562 2.709 -5.702 1.00 0.00 C ATOM 349 C TYR B 574 -11.652 3.394 -4.677 1.00 0.00 C ATOM 350 O TYR B 574 -11.289 4.554 -4.846 1.00 0.00 O ATOM 351 CB TYR B 574 -12.035 2.926 -7.117 1.00 0.00 C ATOM 352 CG TYR B 574 -10.717 2.248 -7.422 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.689 0.951 -7.921 1.00 0.00 C ATOM 354 CD2 TYR B 574 -9.507 2.901 -7.228 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.494 0.324 -8.211 1.00 0.00 C ATOM 356 CE2 TYR B 574 -8.309 2.281 -7.518 1.00 0.00 C ATOM 357 CZ TYR B 574 -8.308 0.993 -8.008 1.00 0.00 C ATOM 358 OH TYR B 574 -7.116 0.369 -8.294 1.00 0.00 O ATOM 0 H TYR B 574 -14.100 4.069 -6.118 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.564 1.642 -5.482 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -12.782 2.568 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.923 3.997 -7.286 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.618 0.425 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -9.504 3.910 -6.844 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -9.489 -0.685 -8.595 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -7.376 2.803 -7.362 1.00 0.00 H new ATOM 0 HH TYR B 574 -6.373 0.977 -8.097 1.00 0.00 H new ATOM 368 N PHE B 575 -11.359 2.670 -3.594 1.00 0.00 N ATOM 369 CA PHE B 575 -10.329 3.024 -2.593 1.00 0.00 C ATOM 370 C PHE B 575 -10.645 4.272 -1.751 1.00 0.00 C ATOM 371 O PHE B 575 -10.074 4.441 -0.674 1.00 0.00 O ATOM 372 CB PHE B 575 -8.928 3.113 -3.241 1.00 0.00 C ATOM 373 CG PHE B 575 -8.318 4.484 -3.328 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.550 5.296 -4.424 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.492 4.946 -2.317 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.975 6.545 -4.506 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.917 6.194 -2.396 1.00 0.00 C ATOM 378 CZ PHE B 575 -7.159 6.994 -3.492 1.00 0.00 C ATOM 0 H PHE B 575 -11.840 1.797 -3.376 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.335 2.202 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.250 2.472 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.991 2.702 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.188 4.947 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -7.297 4.321 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.164 7.172 -5.365 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -6.277 6.546 -1.600 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.708 7.973 -3.555 1.00 0.00 H new ATOM 388 N MET B 576 -11.541 5.129 -2.215 1.00 0.00 N ATOM 389 CA MET B 576 -11.948 6.301 -1.437 1.00 0.00 C ATOM 390 C MET B 576 -12.627 5.866 -0.140 1.00 0.00 C ATOM 391 O MET B 576 -13.032 4.713 -0.004 1.00 0.00 O ATOM 392 CB MET B 576 -12.909 7.168 -2.243 1.00 0.00 C ATOM 393 CG MET B 576 -12.352 7.633 -3.580 1.00 0.00 C ATOM 394 SD MET B 576 -11.012 8.824 -3.422 1.00 0.00 S ATOM 395 CE MET B 576 -10.582 9.057 -5.146 1.00 0.00 C ATOM 0 H MET B 576 -12.001 5.041 -3.121 1.00 0.00 H new ATOM 0 HA MET B 576 -11.055 6.880 -1.201 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.827 6.607 -2.419 1.00 0.00 H new ATOM 0 HB3 MET B 576 -13.178 8.042 -1.650 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.994 6.767 -4.137 1.00 0.00 H new ATOM 0 HG3 MET B 576 -13.157 8.078 -4.165 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.498 9.031 -5.257 1.00 0.00 H new ATOM 0 HE2 MET B 576 -11.027 8.261 -5.743 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.959 10.021 -5.488 1.00 0.00 H new ATOM 405 N LYS B 577 -12.762 6.784 0.805 1.00 0.00 N ATOM 406 CA LYS B 577 -13.365 6.455 2.091 1.00 0.00 C ATOM 407 C LYS B 577 -14.797 5.953 1.926 1.00 0.00 C ATOM 408 O LYS B 577 -15.644 6.626 1.335 1.00 0.00 O ATOM 409 CB LYS B 577 -13.355 7.663 3.025 1.00 0.00 C ATOM 410 CG LYS B 577 -13.849 7.333 4.425 1.00 0.00 C ATOM 411 CD LYS B 577 -13.846 8.549 5.331 1.00 0.00 C ATOM 412 CE LYS B 577 -14.317 8.197 6.732 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.240 9.362 7.651 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.465 7.755 0.709 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.765 5.658 2.530 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.342 8.060 3.087 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.980 8.449 2.601 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.859 6.927 4.367 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.218 6.557 4.858 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.841 8.967 5.378 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.493 9.319 4.911 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.344 7.835 6.690 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.708 7.383 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.570 9.081 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.256 9.692 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -14.841 10.130 7.289 1.00 0.00 H new ATOM 427 N GLY B 578 -15.051 4.761 2.447 1.00 0.00 N ATOM 428 CA GLY B 578 -16.379 4.191 2.407 1.00 0.00 C ATOM 429 C GLY B 578 -16.518 3.125 1.343 1.00 0.00 C ATOM 430 O GLY B 578 -17.537 2.439 1.277 1.00 0.00 O ATOM 0 H GLY B 578 -14.351 4.174 2.901 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.617 3.762 3.380 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.105 4.982 2.222 1.00 0.00 H new ATOM 434 N SER B 579 -15.492 2.983 0.520 1.00 0.00 N ATOM 435 CA SER B 579 -15.488 1.981 -0.533 1.00 0.00 C ATOM 436 C SER B 579 -15.414 0.578 0.053 1.00 0.00 C ATOM 437 O SER B 579 -14.684 0.333 1.016 1.00 0.00 O ATOM 438 CB SER B 579 -14.309 2.221 -1.472 1.00 0.00 C ATOM 439 OG SER B 579 -14.318 3.552 -1.955 1.00 0.00 O ATOM 0 H SER B 579 -14.647 3.552 0.562 1.00 0.00 H new ATOM 0 HA SER B 579 -16.418 2.066 -1.095 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.374 2.025 -0.947 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.356 1.525 -2.309 1.00 0.00 H new ATOM 0 HG SER B 579 -13.975 4.154 -1.262 1.00 0.00 H new ATOM 445 N ILE B 580 -16.191 -0.330 -0.514 1.00 0.00 N ATOM 446 CA ILE B 580 -16.173 -1.714 -0.091 1.00 0.00 C ATOM 447 C ILE B 580 -15.166 -2.498 -0.915 1.00 0.00 C ATOM 448 O ILE B 580 -15.308 -2.643 -2.131 1.00 0.00 O ATOM 449 CB ILE B 580 -17.572 -2.354 -0.202 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.533 -1.693 0.791 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.502 -3.854 0.039 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.080 -1.784 2.235 1.00 0.00 C ATOM 0 H ILE B 580 -16.844 -0.129 -1.272 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.876 -1.743 0.957 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.947 -2.193 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.652 -0.643 0.523 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.514 -2.159 0.698 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.501 -4.283 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.847 -4.312 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.108 -4.044 1.037 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.812 -1.294 2.877 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.989 -2.831 2.522 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.114 -1.292 2.345 1.00 0.00 H new ATOM 464 N ILE B 581 -14.139 -2.977 -0.240 1.00 0.00 N ATOM 465 CA ILE B 581 -13.045 -3.672 -0.888 1.00 0.00 C ATOM 466 C ILE B 581 -13.205 -5.179 -0.720 1.00 0.00 C ATOM 467 O ILE B 581 -13.419 -5.663 0.394 1.00 0.00 O ATOM 468 CB ILE B 581 -11.696 -3.226 -0.290 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.624 -1.699 -0.185 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.544 -3.746 -1.121 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.780 -0.972 -1.502 1.00 0.00 C ATOM 0 H ILE B 581 -14.040 -2.895 0.772 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.062 -3.426 -1.950 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.619 -3.646 0.713 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.401 -1.357 0.498 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.667 -1.423 0.257 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.602 -3.420 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.575 -4.835 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.624 -3.358 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.716 0.103 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.988 -1.280 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.749 -1.214 -1.939 1.00 0.00 H new ATOM 483 N GLN B 582 -13.115 -5.914 -1.821 1.00 0.00 N ATOM 484 CA GLN B 582 -13.295 -7.360 -1.789 1.00 0.00 C ATOM 485 C GLN B 582 -11.965 -8.088 -1.773 1.00 0.00 C ATOM 486 O GLN B 582 -11.207 -8.035 -2.741 1.00 0.00 O ATOM 487 CB GLN B 582 -14.104 -7.826 -2.991 1.00 0.00 C ATOM 488 CG GLN B 582 -14.384 -9.323 -2.999 1.00 0.00 C ATOM 489 CD GLN B 582 -15.159 -9.767 -4.221 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.048 -9.175 -5.295 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.953 -10.813 -4.066 1.00 0.00 N ATOM 0 H GLN B 582 -12.919 -5.533 -2.747 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.833 -7.596 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.052 -7.288 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.569 -7.561 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.439 -9.865 -2.956 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.944 -9.588 -2.103 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.016 -11.275 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.502 -11.158 -4.853 1.00 0.00 H new ATOM 500 N LEU B 583 -11.703 -8.789 -0.682 1.00 0.00 N ATOM 501 CA LEU B 583 -10.484 -9.569 -0.550 1.00 0.00 C ATOM 502 C LEU B 583 -10.615 -10.883 -1.309 1.00 0.00 C ATOM 503 O LEU B 583 -11.713 -11.256 -1.730 1.00 0.00 O ATOM 504 CB LEU B 583 -10.183 -9.846 0.917 1.00 0.00 C ATOM 505 CG LEU B 583 -10.221 -8.629 1.831 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.007 -9.060 3.271 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.170 -7.612 1.400 1.00 0.00 C ATOM 0 H LEU B 583 -12.321 -8.834 0.128 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.661 -8.994 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.900 -10.579 1.286 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.196 -10.302 0.988 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.199 -8.153 1.756 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.035 -8.185 3.921 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.794 -9.755 3.564 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.038 -9.550 3.364 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.208 -6.747 2.062 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.181 -8.066 1.453 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.369 -7.295 0.376 1.00 0.00 H new ATOM 519 N ALA B 584 -9.506 -11.594 -1.465 1.00 0.00 N ATOM 520 CA ALA B 584 -9.505 -12.837 -2.225 1.00 0.00 C ATOM 521 C ALA B 584 -10.370 -13.899 -1.553 1.00 0.00 C ATOM 522 O ALA B 584 -10.903 -14.786 -2.214 1.00 0.00 O ATOM 523 CB ALA B 584 -8.088 -13.359 -2.422 1.00 0.00 C ATOM 0 H ALA B 584 -8.599 -11.333 -1.077 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.932 -12.619 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.118 -14.287 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.500 -12.619 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.630 -13.545 -1.450 1.00 0.00 H new ATOM 529 N ASN B 585 -10.517 -13.793 -0.238 1.00 0.00 N ATOM 530 CA ASN B 585 -11.304 -14.756 0.521 1.00 0.00 C ATOM 531 C ASN B 585 -12.793 -14.430 0.433 1.00 0.00 C ATOM 532 O ASN B 585 -13.637 -15.230 0.828 1.00 0.00 O ATOM 533 CB ASN B 585 -10.846 -14.795 1.983 1.00 0.00 C ATOM 534 CG ASN B 585 -11.103 -13.504 2.738 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.205 -12.429 2.147 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.183 -13.602 4.056 1.00 0.00 N ATOM 0 H ASN B 585 -10.102 -13.050 0.324 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.146 -15.742 0.085 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.357 -15.612 2.493 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.779 -15.018 2.014 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.335 -12.767 4.621 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.093 -14.513 4.506 1.00 0.00 H new ATOM 543 N GLY B 586 -13.106 -13.250 -0.093 1.00 0.00 N ATOM 544 CA GLY B 586 -14.489 -12.887 -0.317 1.00 0.00 C ATOM 545 C GLY B 586 -14.993 -11.813 0.629 1.00 0.00 C ATOM 546 O GLY B 586 -16.165 -11.432 0.565 1.00 0.00 O ATOM 0 H GLY B 586 -12.426 -12.541 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.603 -12.539 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.112 -13.775 -0.210 1.00 0.00 H new ATOM 550 N GLU B 587 -14.129 -11.327 1.509 1.00 0.00 N ATOM 551 CA GLU B 587 -14.524 -10.285 2.445 1.00 0.00 C ATOM 552 C GLU B 587 -14.783 -8.969 1.761 1.00 0.00 C ATOM 553 O GLU B 587 -14.132 -8.615 0.781 1.00 0.00 O ATOM 554 CB GLU B 587 -13.487 -10.087 3.527 1.00 0.00 C ATOM 555 CG GLU B 587 -13.423 -11.247 4.475 1.00 0.00 C ATOM 556 CD GLU B 587 -12.648 -10.945 5.735 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.167 -10.211 6.601 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.519 -11.453 5.875 1.00 0.00 O ATOM 0 H GLU B 587 -13.160 -11.634 1.594 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.455 -10.628 2.897 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.509 -9.942 3.068 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.715 -9.178 4.084 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.437 -11.545 4.743 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.964 -12.096 3.969 1.00 0.00 H new ATOM 565 N LEU B 588 -15.741 -8.257 2.313 1.00 0.00 N ATOM 566 CA LEU B 588 -16.160 -6.972 1.793 1.00 0.00 C ATOM 567 C LEU B 588 -16.110 -5.939 2.909 1.00 0.00 C ATOM 568 O LEU B 588 -17.066 -5.776 3.669 1.00 0.00 O ATOM 569 CB LEU B 588 -17.571 -7.096 1.226 1.00 0.00 C ATOM 570 CG LEU B 588 -17.742 -8.223 0.208 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.196 -8.350 -0.209 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.859 -7.982 -1.006 1.00 0.00 C ATOM 0 H LEU B 588 -16.256 -8.555 3.142 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.492 -6.651 0.994 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.268 -7.256 2.049 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.845 -6.152 0.755 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.437 -9.158 0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.297 -9.158 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.808 -8.569 0.666 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.528 -7.415 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -16.993 -8.794 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.134 -7.037 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.815 -7.942 -0.695 1.00 0.00 H new ATOM 584 N LYS B 589 -14.983 -5.258 3.009 1.00 0.00 N ATOM 585 CA LYS B 589 -14.701 -4.406 4.151 1.00 0.00 C ATOM 586 C LYS B 589 -14.416 -2.976 3.708 1.00 0.00 C ATOM 587 O LYS B 589 -14.036 -2.738 2.561 1.00 0.00 O ATOM 588 CB LYS B 589 -13.499 -4.974 4.903 1.00 0.00 C ATOM 589 CG LYS B 589 -13.680 -6.432 5.304 1.00 0.00 C ATOM 590 CD LYS B 589 -12.404 -7.060 5.855 1.00 0.00 C ATOM 591 CE LYS B 589 -12.079 -6.576 7.259 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.313 -5.303 7.261 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.243 -5.279 2.308 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.573 -4.384 4.805 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.611 -4.883 4.278 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.322 -4.377 5.797 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.467 -6.502 6.055 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -14.015 -7.003 4.438 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.510 -8.145 5.863 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.571 -6.826 5.191 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -13.006 -6.439 7.816 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.505 -7.342 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.705 -4.663 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.315 -5.499 7.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.382 -4.855 6.325 1.00 0.00 H new ATOM 606 N LYS B 590 -14.609 -2.032 4.624 1.00 0.00 N ATOM 607 CA LYS B 590 -14.332 -0.628 4.353 1.00 0.00 C ATOM 608 C LYS B 590 -12.834 -0.392 4.252 1.00 0.00 C ATOM 609 O LYS B 590 -12.058 -1.017 4.979 1.00 0.00 O ATOM 610 CB LYS B 590 -14.925 0.264 5.446 1.00 0.00 C ATOM 611 CG LYS B 590 -16.442 0.292 5.460 1.00 0.00 C ATOM 612 CD LYS B 590 -17.005 1.303 4.477 1.00 0.00 C ATOM 613 CE LYS B 590 -18.522 1.268 4.476 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.110 2.237 3.514 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.958 -2.217 5.565 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.797 -0.370 3.402 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.569 -0.081 6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.554 1.280 5.313 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.824 -0.700 5.218 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.790 0.532 6.465 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.660 2.303 4.740 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.631 1.090 3.475 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.859 0.262 4.226 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.889 1.488 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.011 1.864 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.279 3.144 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.452 2.382 2.722 1.00 0.00 H new ATOM 628 N VAL B 591 -12.442 0.503 3.359 1.00 0.00 N ATOM 629 CA VAL B 591 -11.033 0.690 3.005 1.00 0.00 C ATOM 630 C VAL B 591 -10.142 0.868 4.232 1.00 0.00 C ATOM 631 O VAL B 591 -9.121 0.197 4.373 1.00 0.00 O ATOM 632 CB VAL B 591 -10.831 1.924 2.109 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.448 1.899 1.483 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.901 2.015 1.043 1.00 0.00 C ATOM 0 H VAL B 591 -13.082 1.119 2.859 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.749 -0.218 2.474 1.00 0.00 H new ATOM 0 HB VAL B 591 -10.916 2.812 2.735 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.319 2.778 0.851 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.693 1.902 2.269 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.338 0.999 0.879 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.728 2.898 0.428 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.867 1.124 0.416 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.880 2.088 1.516 1.00 0.00 H new ATOM 644 N GLU B 592 -10.555 1.754 5.128 1.00 0.00 N ATOM 645 CA GLU B 592 -9.723 2.151 6.262 1.00 0.00 C ATOM 646 C GLU B 592 -9.642 1.050 7.317 1.00 0.00 C ATOM 647 O GLU B 592 -8.730 1.031 8.145 1.00 0.00 O ATOM 648 CB GLU B 592 -10.279 3.427 6.893 1.00 0.00 C ATOM 649 CG GLU B 592 -11.667 3.251 7.489 1.00 0.00 C ATOM 650 CD GLU B 592 -12.221 4.528 8.077 1.00 0.00 C ATOM 651 OE1 GLU B 592 -11.799 4.907 9.190 1.00 0.00 O ATOM 652 OE2 GLU B 592 -13.097 5.147 7.439 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.464 2.215 5.093 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.716 2.332 5.887 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.597 3.765 7.673 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.313 4.212 6.138 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.345 2.889 6.717 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.629 2.486 8.265 1.00 0.00 H new ATOM 659 N ASP B 593 -10.596 0.139 7.282 1.00 0.00 N ATOM 660 CA ASP B 593 -10.689 -0.902 8.292 1.00 0.00 C ATOM 661 C ASP B 593 -9.967 -2.162 7.836 1.00 0.00 C ATOM 662 O ASP B 593 -9.778 -3.107 8.608 1.00 0.00 O ATOM 663 CB ASP B 593 -12.162 -1.195 8.602 1.00 0.00 C ATOM 664 CG ASP B 593 -12.351 -2.380 9.523 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.140 -2.234 10.745 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.707 -3.472 9.026 1.00 0.00 O ATOM 0 H ASP B 593 -11.320 0.097 6.564 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.203 -0.554 9.204 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.614 -0.313 9.057 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.694 -1.380 7.669 1.00 0.00 H new ATOM 671 N LEU B 594 -9.567 -2.172 6.578 1.00 0.00 N ATOM 672 CA LEU B 594 -8.769 -3.256 6.049 1.00 0.00 C ATOM 673 C LEU B 594 -7.479 -3.383 6.831 1.00 0.00 C ATOM 674 O LEU B 594 -6.663 -2.462 6.868 1.00 0.00 O ATOM 675 CB LEU B 594 -8.465 -3.014 4.580 1.00 0.00 C ATOM 676 CG LEU B 594 -9.681 -3.039 3.667 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.340 -2.424 2.337 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.165 -4.460 3.473 1.00 0.00 C ATOM 0 H LEU B 594 -9.784 -1.438 5.904 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.332 -4.184 6.144 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.972 -2.047 4.480 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.757 -3.770 4.240 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.478 -2.459 4.132 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.217 -2.447 1.690 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.024 -1.391 2.484 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.532 -2.988 1.872 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.036 -4.461 2.817 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.371 -5.057 3.023 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.437 -4.887 4.438 1.00 0.00 H new ATOM 690 N LYS B 595 -7.316 -4.515 7.478 1.00 0.00 N ATOM 691 CA LYS B 595 -6.120 -4.782 8.237 1.00 0.00 C ATOM 692 C LYS B 595 -5.102 -5.430 7.337 1.00 0.00 C ATOM 693 O LYS B 595 -5.454 -5.954 6.282 1.00 0.00 O ATOM 694 CB LYS B 595 -6.417 -5.698 9.419 1.00 0.00 C ATOM 695 CG LYS B 595 -7.374 -5.098 10.432 1.00 0.00 C ATOM 696 CD LYS B 595 -6.771 -3.881 11.114 1.00 0.00 C ATOM 697 CE LYS B 595 -7.709 -3.308 12.162 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.050 -4.310 13.207 1.00 0.00 N1+ ATOM 0 H LYS B 595 -8.003 -5.269 7.492 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.732 -3.840 8.626 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.836 -6.633 9.046 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.481 -5.945 9.919 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.302 -4.815 9.935 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.629 -5.847 11.181 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.826 -4.156 11.582 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.548 -3.118 10.368 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.245 -2.440 12.629 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -8.623 -2.960 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -8.442 -3.824 14.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.754 -4.977 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -7.193 -4.830 13.482 1.00 0.00 H new ATOM 712 N THR B 596 -3.853 -5.407 7.731 1.00 0.00 N ATOM 713 CA THR B 596 -2.831 -6.011 6.918 1.00 0.00 C ATOM 714 C THR B 596 -3.098 -7.507 6.762 1.00 0.00 C ATOM 715 O THR B 596 -3.009 -8.041 5.661 1.00 0.00 O ATOM 716 CB THR B 596 -1.428 -5.750 7.487 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.450 -6.222 6.572 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.234 -6.426 8.832 1.00 0.00 C ATOM 0 H THR B 596 -3.524 -4.982 8.598 1.00 0.00 H new ATOM 0 HA THR B 596 -2.864 -5.550 5.931 1.00 0.00 H new ATOM 0 HB THR B 596 -1.318 -4.675 7.633 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.040 -6.970 6.973 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.230 -6.218 9.202 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.968 -6.043 9.541 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.364 -7.502 8.720 1.00 0.00 H new ATOM 726 N GLU B 597 -3.514 -8.158 7.851 1.00 0.00 N ATOM 727 CA GLU B 597 -3.792 -9.591 7.839 1.00 0.00 C ATOM 728 C GLU B 597 -4.825 -9.944 6.775 1.00 0.00 C ATOM 729 O GLU B 597 -4.823 -11.052 6.238 1.00 0.00 O ATOM 730 CB GLU B 597 -4.270 -10.065 9.206 1.00 0.00 C ATOM 731 CG GLU B 597 -3.229 -9.919 10.303 1.00 0.00 C ATOM 732 CD GLU B 597 -3.655 -10.584 11.594 1.00 0.00 C ATOM 733 OE1 GLU B 597 -3.363 -11.786 11.770 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -4.288 -9.910 12.435 1.00 0.00 O ATOM 0 H GLU B 597 -3.665 -7.710 8.755 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.860 -10.102 7.598 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.160 -9.501 9.485 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.565 -11.112 9.135 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.288 -10.354 9.967 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.044 -8.861 10.486 1.00 0.00 H new ATOM 741 N ASP B 598 -5.698 -8.988 6.476 1.00 0.00 N ATOM 742 CA ASP B 598 -6.706 -9.163 5.440 1.00 0.00 C ATOM 743 C ASP B 598 -6.025 -9.401 4.098 1.00 0.00 C ATOM 744 O ASP B 598 -6.395 -10.302 3.338 1.00 0.00 O ATOM 745 CB ASP B 598 -7.615 -7.926 5.347 1.00 0.00 C ATOM 746 CG ASP B 598 -8.531 -7.743 6.549 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.887 -8.749 7.199 1.00 0.00 O1- ATOM 748 OD2 ASP B 598 -8.903 -6.581 6.851 1.00 0.00 O ATOM 0 H ASP B 598 -5.726 -8.080 6.940 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.321 -10.025 5.698 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.993 -7.037 5.238 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.224 -8.002 4.446 1.00 0.00 H new ATOM 753 N PHE B 599 -5.018 -8.587 3.818 1.00 0.00 N ATOM 754 CA PHE B 599 -4.260 -8.708 2.584 1.00 0.00 C ATOM 755 C PHE B 599 -3.329 -9.908 2.633 1.00 0.00 C ATOM 756 O PHE B 599 -3.136 -10.582 1.623 1.00 0.00 O ATOM 757 CB PHE B 599 -3.488 -7.424 2.269 1.00 0.00 C ATOM 758 CG PHE B 599 -4.356 -6.359 1.650 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.589 -6.040 2.199 1.00 0.00 C ATOM 760 CD2 PHE B 599 -3.950 -5.701 0.500 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.396 -5.082 1.617 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.758 -4.743 -0.088 1.00 0.00 C ATOM 763 CZ PHE B 599 -5.981 -4.434 0.472 1.00 0.00 C ATOM 0 H PHE B 599 -4.707 -7.834 4.431 1.00 0.00 H new ATOM 0 HA PHE B 599 -4.973 -8.866 1.775 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.045 -7.037 3.187 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.666 -7.656 1.591 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.922 -6.547 3.093 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -2.994 -5.938 0.058 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.352 -4.840 2.058 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.431 -4.238 -0.985 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.612 -3.686 0.015 1.00 0.00 H new ATOM 773 N ILE B 600 -2.743 -10.171 3.804 1.00 0.00 N ATOM 774 CA ILE B 600 -1.959 -11.360 4.009 1.00 0.00 C ATOM 775 C ILE B 600 -2.724 -12.596 3.561 1.00 0.00 C ATOM 776 O ILE B 600 -2.318 -13.285 2.631 1.00 0.00 O ATOM 777 CB ILE B 600 -1.625 -11.483 5.492 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.491 -10.545 5.885 1.00 0.00 C ATOM 779 CG2 ILE B 600 -1.252 -12.914 5.856 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.433 -9.185 5.226 1.00 0.00 C ATOM 0 H ILE B 600 -2.806 -9.563 4.621 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.046 -11.286 3.419 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.521 -11.200 6.045 1.00 0.00 H new ATOM 0 HG12 ILE B 600 -0.543 -10.392 6.963 1.00 0.00 H new ATOM 0 HG13 ILE B 600 0.450 -11.055 5.681 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -1.019 -12.970 6.919 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -2.088 -13.576 5.632 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.381 -13.221 5.277 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.427 -8.633 5.606 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.338 -9.307 4.147 1.00 0.00 H new ATOM 0 HD13 ILE B 600 -1.346 -8.633 5.449 1.00 0.00 H new ATOM 792 N GLN B 601 -3.873 -12.814 4.190 1.00 0.00 N ATOM 793 CA GLN B 601 -4.688 -13.994 3.929 1.00 0.00 C ATOM 794 C GLN B 601 -5.092 -14.106 2.470 1.00 0.00 C ATOM 795 O GLN B 601 -4.944 -15.161 1.868 1.00 0.00 O ATOM 796 CB GLN B 601 -5.931 -13.997 4.814 1.00 0.00 C ATOM 797 CG GLN B 601 -5.673 -14.580 6.186 1.00 0.00 C ATOM 798 CD GLN B 601 -6.890 -14.551 7.085 1.00 0.00 C ATOM 799 OE1 GLN B 601 -8.029 -14.623 6.619 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.661 -14.449 8.385 1.00 0.00 N ATOM 0 H GLN B 601 -4.263 -12.183 4.890 1.00 0.00 H new ATOM 0 HA GLN B 601 -4.072 -14.861 4.168 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.297 -12.976 4.921 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.719 -14.569 4.324 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.334 -15.610 6.078 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.864 -14.026 6.663 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -5.703 -14.392 8.731 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.442 -14.428 9.040 1.00 0.00 H new ATOM 809 N SER B 602 -5.583 -13.020 1.902 1.00 0.00 N ATOM 810 CA SER B 602 -6.051 -13.033 0.526 1.00 0.00 C ATOM 811 C SER B 602 -4.935 -13.433 -0.436 1.00 0.00 C ATOM 812 O SER B 602 -5.125 -14.266 -1.324 1.00 0.00 O ATOM 813 CB SER B 602 -6.610 -11.664 0.162 1.00 0.00 C ATOM 814 OG SER B 602 -5.717 -10.633 0.524 1.00 0.00 O ATOM 0 H SER B 602 -5.669 -12.118 2.371 1.00 0.00 H new ATOM 0 HA SER B 602 -6.842 -13.778 0.437 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.803 -11.621 -0.910 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.566 -11.514 0.664 1.00 0.00 H new ATOM 0 HG SER B 602 -5.269 -10.291 -0.278 1.00 0.00 H new ATOM 820 N ALA B 603 -3.773 -12.838 -0.243 1.00 0.00 N ATOM 821 CA ALA B 603 -2.608 -13.145 -1.061 1.00 0.00 C ATOM 822 C ALA B 603 -2.081 -14.555 -0.790 1.00 0.00 C ATOM 823 O ALA B 603 -1.491 -15.179 -1.671 1.00 0.00 O ATOM 824 CB ALA B 603 -1.519 -12.131 -0.805 1.00 0.00 C ATOM 0 H ALA B 603 -3.607 -12.135 0.477 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.914 -13.100 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.651 -12.367 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.883 -11.135 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.236 -12.158 0.247 1.00 0.00 H new ATOM 830 N GLU B 604 -2.279 -15.047 0.427 1.00 0.00 N ATOM 831 CA GLU B 604 -1.859 -16.400 0.783 1.00 0.00 C ATOM 832 C GLU B 604 -2.760 -17.428 0.118 1.00 0.00 C ATOM 833 O GLU B 604 -2.290 -18.420 -0.440 1.00 0.00 O ATOM 834 CB GLU B 604 -1.877 -16.593 2.295 1.00 0.00 C ATOM 835 CG GLU B 604 -0.872 -15.728 3.023 1.00 0.00 C ATOM 836 CD GLU B 604 -0.728 -16.106 4.481 1.00 0.00 C ATOM 837 OE1 GLU B 604 -1.760 -16.286 5.163 1.00 0.00 O ATOM 838 OE2 GLU B 604 0.423 -16.234 4.953 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.727 -14.531 1.184 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.838 -16.541 0.427 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.876 -16.371 2.670 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.677 -17.640 2.523 1.00 0.00 H new ATOM 0 HG2 GLU B 604 0.098 -15.812 2.532 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -1.177 -14.684 2.950 1.00 0.00 H new ATOM 845 N ILE B 605 -4.059 -17.179 0.194 1.00 0.00 N ATOM 846 CA ILE B 605 -5.050 -17.980 -0.507 1.00 0.00 C ATOM 847 C ILE B 605 -4.754 -17.931 -2.004 1.00 0.00 C ATOM 848 O ILE B 605 -4.918 -18.919 -2.716 1.00 0.00 O ATOM 849 CB ILE B 605 -6.466 -17.452 -0.193 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.689 -17.511 1.323 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.530 -18.252 -0.930 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.896 -16.743 1.809 1.00 0.00 C ATOM 0 H ILE B 605 -4.455 -16.416 0.743 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.003 -19.017 -0.176 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.549 -16.420 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.793 -18.554 1.622 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.802 -17.123 1.823 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.516 -17.856 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.362 -18.177 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.475 -19.297 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.977 -16.839 2.892 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.788 -15.691 1.545 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.795 -17.144 1.341 1.00 0.00 H new ATOM 864 N SER B 606 -4.304 -16.763 -2.446 1.00 0.00 N ATOM 865 CA SER B 606 -3.633 -16.599 -3.730 1.00 0.00 C ATOM 866 C SER B 606 -4.520 -16.929 -4.925 1.00 0.00 C ATOM 867 O SER B 606 -4.571 -18.066 -5.398 1.00 0.00 O ATOM 868 CB SER B 606 -2.359 -17.450 -3.772 1.00 0.00 C ATOM 869 OG SER B 606 -1.528 -17.076 -4.858 1.00 0.00 O ATOM 0 H SER B 606 -4.395 -15.895 -1.918 1.00 0.00 H new ATOM 0 HA SER B 606 -3.381 -15.542 -3.813 1.00 0.00 H new ATOM 0 HB2 SER B 606 -1.812 -17.337 -2.836 1.00 0.00 H new ATOM 0 HB3 SER B 606 -2.625 -18.503 -3.860 1.00 0.00 H new ATOM 0 HG SER B 606 -0.993 -16.294 -4.607 1.00 0.00 H new ATOM 875 N ASN B 607 -5.208 -15.917 -5.422 1.00 0.00 N ATOM 876 CA ASN B 607 -5.841 -16.004 -6.724 1.00 0.00 C ATOM 877 C ASN B 607 -4.961 -15.260 -7.723 1.00 0.00 C ATOM 878 O ASN B 607 -5.389 -14.279 -8.332 1.00 0.00 O ATOM 879 CB ASN B 607 -7.256 -15.408 -6.697 1.00 0.00 C ATOM 880 CG ASN B 607 -8.031 -15.709 -7.968 1.00 0.00 C ATOM 881 OD1 ASN B 607 -7.826 -16.744 -8.602 1.00 0.00 O ATOM 882 ND2 ASN B 607 -8.928 -14.814 -8.347 1.00 0.00 N ATOM 0 H ASN B 607 -5.342 -15.026 -4.944 1.00 0.00 H new ATOM 0 HA ASN B 607 -5.944 -17.049 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -7.799 -15.806 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -7.191 -14.329 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -9.479 -14.970 -9.191 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -9.069 -13.968 -7.795 1.00 0.00 H new ATOM 889 N ASP B 608 -3.707 -15.727 -7.833 1.00 0.00 N ATOM 890 CA ASP B 608 -2.662 -15.078 -8.641 1.00 0.00 C ATOM 891 C ASP B 608 -2.034 -13.896 -7.898 1.00 0.00 C ATOM 892 O ASP B 608 -1.416 -13.027 -8.511 1.00 0.00 O ATOM 893 CB ASP B 608 -3.190 -14.632 -10.014 1.00 0.00 C ATOM 894 CG ASP B 608 -3.343 -15.783 -10.983 1.00 0.00 C ATOM 895 OD1 ASP B 608 -2.316 -16.287 -11.489 1.00 0.00 O ATOM 896 OD2 ASP B 608 -4.492 -16.188 -11.256 1.00 0.00 O1- ATOM 0 H ASP B 608 -3.387 -16.572 -7.360 1.00 0.00 H new ATOM 0 HA ASP B 608 -1.888 -15.826 -8.811 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.154 -14.140 -9.886 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -2.509 -13.894 -10.438 1.00 0.00 H new ATOM 901 N LEU B 609 -2.202 -13.863 -6.575 1.00 0.00 N ATOM 902 CA LEU B 609 -1.586 -12.831 -5.743 1.00 0.00 C ATOM 903 C LEU B 609 -0.508 -13.416 -4.838 1.00 0.00 C ATOM 904 O LEU B 609 -0.468 -14.626 -4.617 1.00 0.00 O ATOM 905 CB LEU B 609 -2.627 -12.158 -4.855 1.00 0.00 C ATOM 906 CG LEU B 609 -3.849 -11.580 -5.561 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.489 -10.991 -6.909 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.952 -12.614 -5.687 1.00 0.00 C ATOM 0 H LEU B 609 -2.761 -14.541 -6.057 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.141 -12.104 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.970 -12.885 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.138 -11.354 -4.305 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.227 -10.766 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.385 -10.589 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.761 -10.192 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -3.062 -11.768 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.809 -12.172 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.589 -13.465 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.251 -12.949 -4.694 1.00 0.00 H new ATOM 920 N LYS B 610 0.363 -12.549 -4.322 1.00 0.00 N ATOM 921 CA LYS B 610 1.298 -12.930 -3.262 1.00 0.00 C ATOM 922 C LYS B 610 1.804 -11.697 -2.509 1.00 0.00 C ATOM 923 O LYS B 610 1.984 -10.631 -3.105 1.00 0.00 O ATOM 924 CB LYS B 610 2.481 -13.731 -3.822 1.00 0.00 C ATOM 925 CG LYS B 610 3.338 -12.988 -4.827 1.00 0.00 C ATOM 926 CD LYS B 610 4.564 -13.809 -5.191 1.00 0.00 C ATOM 927 CE LYS B 610 5.407 -13.132 -6.255 1.00 0.00 C ATOM 928 NZ LYS B 610 6.001 -11.854 -5.781 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.441 -11.577 -4.621 1.00 0.00 H new ATOM 0 HA LYS B 610 0.756 -13.567 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.112 -14.047 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.097 -14.636 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.756 -12.776 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.646 -12.028 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS B 610 5.169 -13.972 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.250 -14.790 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS B 610 6.205 -13.807 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.792 -12.939 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 6.801 -11.595 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 5.282 -11.103 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.336 -11.968 -4.803 1.00 0.00 H new ATOM 942 N ILE B 611 1.996 -11.848 -1.193 1.00 0.00 N ATOM 943 CA ILE B 611 2.552 -10.787 -0.350 1.00 0.00 C ATOM 944 C ILE B 611 4.074 -10.783 -0.446 1.00 0.00 C ATOM 945 O ILE B 611 4.695 -11.826 -0.673 1.00 0.00 O ATOM 946 CB ILE B 611 2.167 -10.981 1.137 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.652 -10.935 1.327 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.833 -9.944 2.034 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.070 -9.541 1.475 1.00 0.00 C ATOM 0 H ILE B 611 1.771 -12.704 -0.687 1.00 0.00 H new ATOM 0 HA ILE B 611 2.140 -9.844 -0.709 1.00 0.00 H new ATOM 0 HB ILE B 611 2.528 -11.967 1.429 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.178 -11.422 0.475 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.393 -11.517 2.211 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.537 -10.115 3.069 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.916 -10.030 1.947 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.522 -8.945 1.728 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.010 -9.610 1.605 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.510 -9.054 2.345 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.292 -8.957 0.581 1.00 0.00 H new ATOM 961 N ASP B 612 4.665 -9.619 -0.276 1.00 0.00 N ATOM 962 CA ASP B 612 6.113 -9.496 -0.188 1.00 0.00 C ATOM 963 C ASP B 612 6.483 -8.635 1.006 1.00 0.00 C ATOM 964 O ASP B 612 5.707 -7.773 1.422 1.00 0.00 O ATOM 965 CB ASP B 612 6.700 -8.879 -1.453 1.00 0.00 C ATOM 966 CG ASP B 612 8.193 -9.104 -1.560 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.600 -10.178 -2.062 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.965 -8.220 -1.140 1.00 0.00 O1- ATOM 0 H ASP B 612 4.163 -8.735 -0.195 1.00 0.00 H new ATOM 0 HA ASP B 612 6.526 -10.498 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.207 -9.306 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.494 -7.809 -1.462 1.00 0.00 H new ATOM 973 N SER B 613 7.660 -8.869 1.552 1.00 0.00 N ATOM 974 CA SER B 613 8.131 -8.120 2.698 1.00 0.00 C ATOM 975 C SER B 613 9.384 -7.321 2.348 1.00 0.00 C ATOM 976 O SER B 613 10.483 -7.869 2.259 1.00 0.00 O ATOM 977 CB SER B 613 8.395 -9.075 3.862 1.00 0.00 C ATOM 978 OG SER B 613 8.955 -10.292 3.397 1.00 0.00 O ATOM 0 H SER B 613 8.312 -9.578 1.216 1.00 0.00 H new ATOM 0 HA SER B 613 7.362 -7.408 2.997 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.073 -8.607 4.576 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.464 -9.277 4.391 1.00 0.00 H new ATOM 0 HG SER B 613 9.118 -10.889 4.157 1.00 0.00 H new ATOM 984 N SER B 614 9.205 -6.026 2.133 1.00 0.00 N ATOM 985 CA SER B 614 10.313 -5.146 1.797 1.00 0.00 C ATOM 986 C SER B 614 10.379 -3.981 2.783 1.00 0.00 C ATOM 987 O SER B 614 9.505 -3.112 2.795 1.00 0.00 O ATOM 988 CB SER B 614 10.160 -4.636 0.360 1.00 0.00 C ATOM 989 OG SER B 614 10.210 -5.707 -0.570 1.00 0.00 O ATOM 0 H SER B 614 8.299 -5.560 2.186 1.00 0.00 H new ATOM 0 HA SER B 614 11.246 -5.705 1.867 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.213 -4.105 0.258 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.952 -3.921 0.138 1.00 0.00 H new ATOM 0 HG SER B 614 9.501 -6.352 -0.365 1.00 0.00 H new ATOM 995 N THR B 615 11.402 -3.980 3.627 1.00 0.00 N ATOM 996 CA THR B 615 11.551 -2.952 4.647 1.00 0.00 C ATOM 997 C THR B 615 12.116 -1.665 4.061 1.00 0.00 C ATOM 998 O THR B 615 13.231 -1.653 3.546 1.00 0.00 O ATOM 999 CB THR B 615 12.485 -3.415 5.781 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.139 -4.745 6.190 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.395 -2.467 6.973 1.00 0.00 C ATOM 0 H THR B 615 12.142 -4.682 3.625 1.00 0.00 H new ATOM 0 HA THR B 615 10.553 -2.768 5.045 1.00 0.00 H new ATOM 0 HB THR B 615 13.509 -3.409 5.408 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.739 -5.032 6.910 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.062 -2.812 7.763 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.687 -1.464 6.663 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.371 -2.447 7.346 1.00 0.00 H new ATOM 1009 N VAL B 616 11.341 -0.592 4.121 1.00 0.00 N ATOM 1010 CA VAL B 616 11.854 0.718 3.780 1.00 0.00 C ATOM 1011 C VAL B 616 12.976 1.113 4.737 1.00 0.00 C ATOM 1012 O VAL B 616 12.772 1.219 5.946 1.00 0.00 O ATOM 1013 CB VAL B 616 10.747 1.795 3.789 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.825 1.631 4.977 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.354 3.184 3.797 1.00 0.00 C ATOM 0 H VAL B 616 10.360 -0.606 4.402 1.00 0.00 H new ATOM 0 HA VAL B 616 12.247 0.658 2.765 1.00 0.00 H new ATOM 0 HB VAL B 616 10.159 1.667 2.880 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.058 2.405 4.952 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.352 0.650 4.937 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.400 1.720 5.899 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.558 3.929 3.803 1.00 0.00 H new ATOM 0 HG22 VAL B 616 11.972 3.306 4.687 1.00 0.00 H new ATOM 0 HG23 VAL B 616 11.969 3.318 2.907 1.00 0.00 H new ATOM 1025 N GLU B 617 14.161 1.299 4.187 1.00 0.00 N ATOM 1026 CA GLU B 617 15.323 1.674 4.972 1.00 0.00 C ATOM 1027 C GLU B 617 15.551 3.173 4.934 1.00 0.00 C ATOM 1028 O GLU B 617 16.262 3.720 5.779 1.00 0.00 O ATOM 1029 CB GLU B 617 16.567 0.953 4.475 1.00 0.00 C ATOM 1030 CG GLU B 617 16.491 -0.549 4.615 1.00 0.00 C ATOM 1031 CD GLU B 617 17.861 -1.183 4.662 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.632 -1.012 3.695 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.186 -1.839 5.676 1.00 0.00 O ATOM 0 H GLU B 617 14.345 1.195 3.189 1.00 0.00 H new ATOM 0 HA GLU B 617 15.129 1.378 6.003 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.728 1.204 3.427 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.433 1.318 5.027 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.944 -0.801 5.523 1.00 0.00 H new ATOM 0 HG3 GLU B 617 15.928 -0.963 3.778 1.00 0.00 H new ATOM 1040 N ARG B 618 14.978 3.838 3.941 1.00 0.00 N ATOM 1041 CA ARG B 618 15.172 5.269 3.796 1.00 0.00 C ATOM 1042 C ARG B 618 14.072 5.879 2.933 1.00 0.00 C ATOM 1043 O ARG B 618 13.472 5.197 2.104 1.00 0.00 O ATOM 1044 CB ARG B 618 16.551 5.536 3.188 1.00 0.00 C ATOM 1045 CG ARG B 618 16.918 7.004 3.098 1.00 0.00 C ATOM 1046 CD ARG B 618 18.336 7.184 2.590 1.00 0.00 C ATOM 1047 NE ARG B 618 18.690 8.590 2.431 1.00 0.00 N ATOM 1048 CZ ARG B 618 19.876 9.011 1.992 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.840 8.135 1.726 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.101 10.308 1.832 1.00 0.00 N ATOM 0 H ARG B 618 14.381 3.413 3.232 1.00 0.00 H new ATOM 0 HA ARG B 618 15.119 5.738 4.779 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.304 5.021 3.784 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.585 5.103 2.188 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.223 7.515 2.432 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.819 7.467 4.080 1.00 0.00 H new ATOM 0 HD2 ARG B 618 19.031 6.712 3.284 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.445 6.673 1.633 1.00 0.00 H new ATOM 0 HE ARG B 618 17.989 9.292 2.670 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.673 7.137 1.858 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.746 8.461 1.390 1.00 0.00 H new ATOM 0 HH21 ARG B 618 19.367 10.983 2.045 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.008 10.631 1.496 1.00 0.00 H new ATOM 1064 N ILE B 619 13.810 7.161 3.144 1.00 0.00 N ATOM 1065 CA ILE B 619 12.779 7.880 2.416 1.00 0.00 C ATOM 1066 C ILE B 619 13.299 9.256 2.046 1.00 0.00 C ATOM 1067 O ILE B 619 13.701 10.030 2.915 1.00 0.00 O ATOM 1068 CB ILE B 619 11.487 8.023 3.247 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.823 6.662 3.416 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.522 9.007 2.592 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.684 6.667 4.405 1.00 0.00 C ATOM 0 H ILE B 619 14.309 7.731 3.827 1.00 0.00 H new ATOM 0 HA ILE B 619 12.536 7.311 1.519 1.00 0.00 H new ATOM 0 HB ILE B 619 11.752 8.414 4.229 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.452 6.325 2.448 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.572 5.939 3.740 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.620 9.089 3.198 1.00 0.00 H new ATOM 0 HG22 ILE B 619 10.997 9.985 2.514 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.259 8.650 1.596 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.258 5.666 4.475 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.053 6.973 5.384 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.916 7.365 4.072 1.00 0.00 H new ATOM 1083 N GLU B 620 13.306 9.553 0.765 1.00 0.00 N ATOM 1084 CA GLU B 620 13.876 10.802 0.295 1.00 0.00 C ATOM 1085 C GLU B 620 12.864 11.590 -0.520 1.00 0.00 C ATOM 1086 O GLU B 620 12.181 11.040 -1.385 1.00 0.00 O ATOM 1087 CB GLU B 620 15.127 10.520 -0.533 1.00 0.00 C ATOM 1088 CG GLU B 620 16.114 9.602 0.169 1.00 0.00 C ATOM 1089 CD GLU B 620 17.324 9.299 -0.683 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.248 10.134 -0.717 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.352 8.236 -1.334 1.00 0.00 O ATOM 0 H GLU B 620 12.927 8.953 0.032 1.00 0.00 H new ATOM 0 HA GLU B 620 14.150 11.406 1.160 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.834 10.070 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.621 11.463 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.436 10.065 1.102 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.615 8.669 0.432 1.00 0.00 H new ATOM 1098 N ASP B 621 12.766 12.877 -0.234 1.00 0.00 N ATOM 1099 CA ASP B 621 11.821 13.746 -0.918 1.00 0.00 C ATOM 1100 C ASP B 621 12.364 14.156 -2.281 1.00 0.00 C ATOM 1101 O ASP B 621 13.526 14.537 -2.413 1.00 0.00 O ATOM 1102 CB ASP B 621 11.512 14.989 -0.071 1.00 0.00 C ATOM 1103 CG ASP B 621 12.710 15.905 0.113 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.692 15.492 0.766 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 12.674 17.045 -0.395 1.00 0.00 O ATOM 0 H ASP B 621 13.333 13.347 0.472 1.00 0.00 H new ATOM 0 HA ASP B 621 10.894 13.192 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.704 15.549 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.152 14.673 0.908 1.00 0.00 H new ATOM 1110 N SER B 622 11.522 14.056 -3.293 1.00 0.00 N ATOM 1111 CA SER B 622 11.899 14.430 -4.644 1.00 0.00 C ATOM 1112 C SER B 622 11.337 15.812 -4.963 1.00 0.00 C ATOM 1113 O SER B 622 10.407 16.283 -4.304 1.00 0.00 O ATOM 1114 CB SER B 622 11.371 13.388 -5.633 1.00 0.00 C ATOM 1115 OG SER B 622 11.860 13.612 -6.946 1.00 0.00 O ATOM 0 H SER B 622 10.565 13.716 -3.203 1.00 0.00 H new ATOM 0 HA SER B 622 12.985 14.466 -4.728 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.663 12.392 -5.302 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.281 13.414 -5.642 1.00 0.00 H new ATOM 0 HG SER B 622 12.288 12.796 -7.279 1.00 0.00 H new ATOM 1121 N HIS B 623 11.915 16.461 -5.965 1.00 0.00 N ATOM 1122 CA HIS B 623 11.531 17.820 -6.329 1.00 0.00 C ATOM 1123 C HIS B 623 10.234 17.819 -7.136 1.00 0.00 C ATOM 1124 O HIS B 623 9.616 18.864 -7.344 1.00 0.00 O ATOM 1125 CB HIS B 623 12.666 18.490 -7.117 1.00 0.00 C ATOM 1126 CG HIS B 623 12.451 19.950 -7.387 1.00 0.00 C ATOM 1127 ND1 HIS B 623 12.621 20.925 -6.430 1.00 0.00 N ATOM 1128 CD2 HIS B 623 12.083 20.598 -8.517 1.00 0.00 C ATOM 1129 CE1 HIS B 623 12.367 22.106 -6.956 1.00 0.00 C ATOM 1130 NE2 HIS B 623 12.039 21.936 -8.222 1.00 0.00 N ATOM 0 H HIS B 623 12.656 16.066 -6.544 1.00 0.00 H new ATOM 0 HA HIS B 623 11.354 18.391 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.598 18.368 -6.565 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.789 17.971 -8.067 1.00 0.00 H new ATOM 0 HD2 HIS B 623 11.865 20.145 -9.473 1.00 0.00 H new ATOM 0 HE1 HIS B 623 12.419 23.052 -6.438 1.00 0.00 H new ATOM 0 HE2 HIS B 623 11.793 22.679 -8.876 1.00 0.00 H new ATOM 1139 N SER B 624 9.830 16.642 -7.584 1.00 0.00 N ATOM 1140 CA SER B 624 8.573 16.482 -8.291 1.00 0.00 C ATOM 1141 C SER B 624 7.399 16.558 -7.312 1.00 0.00 C ATOM 1142 O SER B 624 7.504 16.106 -6.170 1.00 0.00 O ATOM 1143 CB SER B 624 8.576 15.153 -9.043 1.00 0.00 C ATOM 1144 OG SER B 624 9.558 15.156 -10.068 1.00 0.00 O ATOM 0 H SER B 624 10.360 15.778 -7.469 1.00 0.00 H new ATOM 0 HA SER B 624 8.458 17.290 -9.013 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.772 14.337 -8.348 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.592 14.973 -9.476 1.00 0.00 H new ATOM 0 HG SER B 624 9.545 14.295 -10.536 1.00 0.00 H new ATOM 1150 N PRO B 625 6.278 17.159 -7.756 1.00 0.00 N ATOM 1151 CA PRO B 625 5.087 17.387 -6.921 1.00 0.00 C ATOM 1152 C PRO B 625 4.585 16.147 -6.204 1.00 0.00 C ATOM 1153 O PRO B 625 4.057 15.216 -6.821 1.00 0.00 O ATOM 1154 CB PRO B 625 4.033 17.866 -7.909 1.00 0.00 C ATOM 1155 CG PRO B 625 4.791 18.421 -9.064 1.00 0.00 C ATOM 1156 CD PRO B 625 6.095 17.676 -9.124 1.00 0.00 C ATOM 0 HA PRO B 625 5.317 18.092 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.387 17.046 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.391 18.624 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.231 18.296 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.962 19.490 -8.937 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.059 16.867 -9.854 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.916 18.332 -9.415 1.00 0.00 H new ATOM 1164 N GLY B 626 4.730 16.169 -4.890 1.00 0.00 N ATOM 1165 CA GLY B 626 4.247 15.096 -4.054 1.00 0.00 C ATOM 1166 C GLY B 626 4.982 13.800 -4.286 1.00 0.00 C ATOM 1167 O GLY B 626 4.410 12.727 -4.118 1.00 0.00 O ATOM 0 H GLY B 626 5.183 16.928 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.347 15.383 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.184 14.945 -4.242 1.00 0.00 H new ATOM 1171 N VAL B 627 6.245 13.887 -4.667 1.00 0.00 N ATOM 1172 CA VAL B 627 7.023 12.698 -4.959 1.00 0.00 C ATOM 1173 C VAL B 627 8.082 12.459 -3.897 1.00 0.00 C ATOM 1174 O VAL B 627 8.823 13.367 -3.517 1.00 0.00 O ATOM 1175 CB VAL B 627 7.691 12.778 -6.348 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.464 11.503 -6.658 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.641 13.036 -7.409 1.00 0.00 C ATOM 0 H VAL B 627 6.751 14.765 -4.781 1.00 0.00 H new ATOM 0 HA VAL B 627 6.326 11.860 -4.960 1.00 0.00 H new ATOM 0 HB VAL B 627 8.402 13.604 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.924 11.587 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.239 11.356 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.782 10.653 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.118 13.092 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.913 12.224 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.135 13.978 -7.198 1.00 0.00 H new ATOM 1187 N ALA B 628 8.123 11.237 -3.407 1.00 0.00 N ATOM 1188 CA ALA B 628 9.141 10.809 -2.473 1.00 0.00 C ATOM 1189 C ALA B 628 9.547 9.386 -2.801 1.00 0.00 C ATOM 1190 O ALA B 628 8.700 8.524 -3.032 1.00 0.00 O ATOM 1191 CB ALA B 628 8.644 10.909 -1.039 1.00 0.00 C ATOM 0 H ALA B 628 7.448 10.511 -3.647 1.00 0.00 H new ATOM 0 HA ALA B 628 10.007 11.464 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.429 10.581 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.379 11.943 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.766 10.275 -0.913 1.00 0.00 H new ATOM 1197 N VAL B 629 10.839 9.150 -2.844 1.00 0.00 N ATOM 1198 CA VAL B 629 11.348 7.835 -3.165 1.00 0.00 C ATOM 1199 C VAL B 629 11.534 7.020 -1.905 1.00 0.00 C ATOM 1200 O VAL B 629 12.277 7.402 -0.995 1.00 0.00 O ATOM 1201 CB VAL B 629 12.665 7.901 -3.970 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.511 9.060 -3.495 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.445 6.591 -3.871 1.00 0.00 C ATOM 0 H VAL B 629 11.557 9.851 -2.661 1.00 0.00 H new ATOM 0 HA VAL B 629 10.609 7.345 -3.799 1.00 0.00 H new ATOM 0 HB VAL B 629 12.411 8.056 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.436 9.095 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.962 9.992 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.746 8.930 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.366 6.671 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.687 6.390 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.839 5.776 -4.266 1.00 0.00 H new ATOM 1213 N ILE B 630 10.820 5.916 -1.846 1.00 0.00 N ATOM 1214 CA ILE B 630 10.942 5.002 -0.744 1.00 0.00 C ATOM 1215 C ILE B 630 12.009 3.964 -1.073 1.00 0.00 C ATOM 1216 O ILE B 630 11.860 3.189 -2.017 1.00 0.00 O ATOM 1217 CB ILE B 630 9.604 4.297 -0.454 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.434 5.278 -0.555 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.642 3.671 0.924 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.496 6.407 0.446 1.00 0.00 C ATOM 0 H ILE B 630 10.146 5.633 -2.557 1.00 0.00 H new ATOM 0 HA ILE B 630 11.226 5.565 0.145 1.00 0.00 H new ATOM 0 HB ILE B 630 9.457 3.517 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.410 5.698 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.501 4.732 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.693 3.174 1.124 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.451 2.942 0.970 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.810 4.446 1.671 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.633 7.060 0.312 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.488 5.998 1.456 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.411 6.979 0.293 1.00 0.00 H new ATOM 1232 N GLN B 631 13.100 3.984 -0.325 1.00 0.00 N ATOM 1233 CA GLN B 631 14.195 3.056 -0.555 1.00 0.00 C ATOM 1234 C GLN B 631 13.995 1.801 0.280 1.00 0.00 C ATOM 1235 O GLN B 631 14.069 1.843 1.509 1.00 0.00 O ATOM 1236 CB GLN B 631 15.536 3.714 -0.225 1.00 0.00 C ATOM 1237 CG GLN B 631 16.737 2.816 -0.481 1.00 0.00 C ATOM 1238 CD GLN B 631 18.059 3.531 -0.281 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.171 4.439 0.541 1.00 0.00 O ATOM 1240 NE2 GLN B 631 19.067 3.138 -1.043 1.00 0.00 N ATOM 0 H GLN B 631 13.251 4.633 0.447 1.00 0.00 H new ATOM 0 HA GLN B 631 14.204 2.778 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.640 4.623 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.535 4.015 0.823 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.690 1.955 0.186 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.687 2.432 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.934 2.381 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.976 3.592 -0.960 1.00 0.00 H new ATOM 1249 N PHE B 632 13.733 0.695 -0.396 1.00 0.00 N ATOM 1250 CA PHE B 632 13.431 -0.564 0.267 1.00 0.00 C ATOM 1251 C PHE B 632 14.628 -1.492 0.271 1.00 0.00 C ATOM 1252 O PHE B 632 15.450 -1.471 -0.641 1.00 0.00 O ATOM 1253 CB PHE B 632 12.279 -1.280 -0.439 1.00 0.00 C ATOM 1254 CG PHE B 632 10.996 -0.509 -0.479 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.100 -0.587 0.570 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.677 0.276 -1.572 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.909 0.105 0.528 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.487 0.974 -1.618 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.600 0.886 -0.566 1.00 0.00 C ATOM 0 H PHE B 632 13.723 0.643 -1.415 1.00 0.00 H new ATOM 0 HA PHE B 632 13.157 -0.322 1.294 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.582 -1.508 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE B 632 12.100 -2.232 0.061 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.335 -1.196 1.431 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.367 0.344 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.216 0.036 1.354 1.00 0.00 H new ATOM 0 HE2 PHE B 632 9.251 1.587 -2.475 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.666 1.427 -0.599 1.00 0.00 H new ATOM 1269 N ALA B 633 14.717 -2.292 1.315 1.00 0.00 N ATOM 1270 CA ALA B 633 15.623 -3.417 1.351 1.00 0.00 C ATOM 1271 C ALA B 633 14.810 -4.695 1.247 1.00 0.00 C ATOM 1272 O ALA B 633 14.183 -5.122 2.213 1.00 0.00 O ATOM 1273 CB ALA B 633 16.434 -3.402 2.627 1.00 0.00 C ATOM 0 H ALA B 633 14.161 -2.178 2.163 1.00 0.00 H new ATOM 0 HA ALA B 633 16.320 -3.358 0.515 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.111 -4.256 2.638 1.00 0.00 H new ATOM 0 HB2 ALA B 633 17.012 -2.480 2.680 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.764 -3.459 3.485 1.00 0.00 H new ATOM 1279 N VAL B 634 14.791 -5.281 0.069 1.00 0.00 N ATOM 1280 CA VAL B 634 13.939 -6.426 -0.193 1.00 0.00 C ATOM 1281 C VAL B 634 14.590 -7.728 0.259 1.00 0.00 C ATOM 1282 O VAL B 634 15.740 -8.018 -0.086 1.00 0.00 O ATOM 1283 CB VAL B 634 13.586 -6.521 -1.687 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.621 -7.670 -1.938 1.00 0.00 C ATOM 1285 CG2 VAL B 634 13.004 -5.201 -2.173 1.00 0.00 C ATOM 0 H VAL B 634 15.357 -4.984 -0.726 1.00 0.00 H new ATOM 0 HA VAL B 634 13.025 -6.278 0.383 1.00 0.00 H new ATOM 0 HB VAL B 634 14.497 -6.722 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.384 -7.720 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.081 -8.607 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.706 -7.507 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.758 -5.280 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.102 -4.971 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.735 -4.406 -2.029 1.00 0.00 H new ATOM 1295 N GLY B 635 13.848 -8.497 1.046 1.00 0.00 N ATOM 1296 CA GLY B 635 14.296 -9.814 1.445 1.00 0.00 C ATOM 1297 C GLY B 635 15.343 -9.777 2.537 1.00 0.00 C ATOM 1298 O GLY B 635 15.596 -8.732 3.137 1.00 0.00 O ATOM 0 H GLY B 635 12.937 -8.227 1.417 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.440 -10.394 1.790 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.703 -10.332 0.576 1.00 0.00 H new ATOM 1302 N GLU B 636 15.957 -10.922 2.793 1.00 0.00 N ATOM 1303 CA GLU B 636 16.970 -11.036 3.832 1.00 0.00 C ATOM 1304 C GLU B 636 18.304 -10.490 3.348 1.00 0.00 C ATOM 1305 O GLU B 636 19.148 -10.090 4.144 1.00 0.00 O ATOM 1306 CB GLU B 636 17.133 -12.489 4.276 1.00 0.00 C ATOM 1307 CG GLU B 636 16.003 -13.011 5.151 1.00 0.00 C ATOM 1308 CD GLU B 636 14.669 -13.032 4.444 1.00 0.00 C ATOM 1309 OE1 GLU B 636 14.472 -13.894 3.563 1.00 0.00 O ATOM 1310 OE2 GLU B 636 13.809 -12.189 4.767 1.00 0.00 O1- ATOM 0 H GLU B 636 15.770 -11.791 2.292 1.00 0.00 H new ATOM 0 HA GLU B 636 16.638 -10.445 4.686 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.211 -13.120 3.391 1.00 0.00 H new ATOM 0 HB3 GLU B 636 18.072 -12.586 4.821 1.00 0.00 H new ATOM 0 HG2 GLU B 636 16.246 -14.019 5.485 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.925 -12.389 6.043 1.00 0.00 H new ATOM 1317 N HIS B 637 18.487 -10.464 2.032 1.00 0.00 N ATOM 1318 CA HIS B 637 19.720 -9.942 1.452 1.00 0.00 C ATOM 1319 C HIS B 637 19.701 -8.419 1.441 1.00 0.00 C ATOM 1320 O HIS B 637 20.718 -7.769 1.198 1.00 0.00 O ATOM 1321 CB HIS B 637 19.933 -10.473 0.031 1.00 0.00 C ATOM 1322 CG HIS B 637 20.115 -11.958 -0.036 1.00 0.00 C ATOM 1323 ND1 HIS B 637 19.253 -12.790 -0.717 1.00 0.00 N ATOM 1324 CD2 HIS B 637 21.069 -12.761 0.492 1.00 0.00 C ATOM 1325 CE1 HIS B 637 19.664 -14.038 -0.600 1.00 0.00 C ATOM 1326 NE2 HIS B 637 20.764 -14.048 0.127 1.00 0.00 N ATOM 0 H HIS B 637 17.803 -10.795 1.351 1.00 0.00 H new ATOM 0 HA HIS B 637 20.549 -10.283 2.072 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.078 -10.193 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS B 637 20.809 -9.989 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS B 637 21.912 -12.447 1.089 1.00 0.00 H new ATOM 0 HE1 HIS B 637 19.181 -14.905 -1.027 1.00 0.00 H new ATOM 0 HE2 HIS B 637 21.301 -14.878 0.377 1.00 0.00 H new ATOM 1335 N ARG B 638 18.514 -7.873 1.712 1.00 0.00 N ATOM 1336 CA ARG B 638 18.301 -6.433 1.819 1.00 0.00 C ATOM 1337 C ARG B 638 18.663 -5.710 0.526 1.00 0.00 C ATOM 1338 O ARG B 638 19.357 -4.692 0.546 1.00 0.00 O ATOM 1339 CB ARG B 638 19.088 -5.850 2.997 1.00 0.00 C ATOM 1340 CG ARG B 638 18.603 -6.328 4.353 1.00 0.00 C ATOM 1341 CD ARG B 638 19.427 -5.720 5.471 1.00 0.00 C ATOM 1342 NE ARG B 638 20.854 -5.989 5.307 1.00 0.00 N ATOM 1343 CZ ARG B 638 21.815 -5.355 5.975 1.00 0.00 C ATOM 1344 NH1 ARG B 638 21.509 -4.437 6.883 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 23.085 -5.655 5.744 1.00 0.00 N ATOM 0 H ARG B 638 17.669 -8.424 1.864 1.00 0.00 H new ATOM 0 HA ARG B 638 17.237 -6.277 1.999 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.140 -6.112 2.885 1.00 0.00 H new ATOM 0 HB3 ARG B 638 19.025 -4.762 2.961 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.554 -6.061 4.483 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.663 -7.415 4.402 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.262 -4.643 5.499 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.090 -6.119 6.428 1.00 0.00 H new ATOM 0 HE ARG B 638 21.131 -6.708 4.639 1.00 0.00 H new ATOM 0 HH11 ARG B 638 20.532 -4.213 7.073 1.00 0.00 H new ATOM 0 HH12 ARG B 638 22.251 -3.955 7.391 1.00 0.00 H new ATOM 0 HH21 ARG B 638 23.323 -6.370 5.056 1.00 0.00 H new ATOM 0 HH22 ARG B 638 23.824 -5.171 6.254 1.00 0.00 H new ATOM 1359 N ALA B 639 18.181 -6.242 -0.593 1.00 0.00 N ATOM 1360 CA ALA B 639 18.401 -5.628 -1.895 1.00 0.00 C ATOM 1361 C ALA B 639 17.731 -4.267 -1.945 1.00 0.00 C ATOM 1362 O ALA B 639 16.521 -4.156 -1.745 1.00 0.00 O ATOM 1363 CB ALA B 639 17.874 -6.523 -3.006 1.00 0.00 C ATOM 0 H ALA B 639 17.633 -7.102 -0.622 1.00 0.00 H new ATOM 0 HA ALA B 639 19.473 -5.499 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.048 -6.046 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.391 -7.482 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.805 -6.683 -2.868 1.00 0.00 H new ATOM 1369 N GLN B 640 18.517 -3.239 -2.207 1.00 0.00 N ATOM 1370 CA GLN B 640 18.028 -1.876 -2.121 1.00 0.00 C ATOM 1371 C GLN B 640 17.344 -1.439 -3.401 1.00 0.00 C ATOM 1372 O GLN B 640 17.933 -1.449 -4.481 1.00 0.00 O ATOM 1373 CB GLN B 640 19.155 -0.916 -1.762 1.00 0.00 C ATOM 1374 CG GLN B 640 19.756 -1.216 -0.406 1.00 0.00 C ATOM 1375 CD GLN B 640 20.601 -0.080 0.123 1.00 0.00 C ATOM 1376 OE1 GLN B 640 21.792 0.023 -0.175 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.996 0.766 0.936 1.00 0.00 N ATOM 0 H GLN B 640 19.496 -3.322 -2.481 1.00 0.00 H new ATOM 0 HA GLN B 640 17.283 -1.851 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.934 -0.973 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.775 0.106 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.955 -1.428 0.303 1.00 0.00 H new ATOM 0 HG3 GLN B 640 20.367 -2.116 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.008 0.644 1.156 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.517 1.542 1.344 1.00 0.00 H new ATOM 1386 N VAL B 641 16.090 -1.063 -3.254 1.00 0.00 N ATOM 1387 CA VAL B 641 15.277 -0.605 -4.369 1.00 0.00 C ATOM 1388 C VAL B 641 14.795 0.815 -4.115 1.00 0.00 C ATOM 1389 O VAL B 641 14.105 1.080 -3.133 1.00 0.00 O ATOM 1390 CB VAL B 641 14.057 -1.521 -4.605 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.215 -1.013 -5.768 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.502 -2.950 -4.860 1.00 0.00 C ATOM 0 H VAL B 641 15.602 -1.065 -2.358 1.00 0.00 H new ATOM 0 HA VAL B 641 15.903 -0.634 -5.261 1.00 0.00 H new ATOM 0 HB VAL B 641 13.443 -1.504 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.361 -1.674 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.860 -0.006 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.820 -0.994 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.627 -3.580 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.141 -2.980 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.057 -3.318 -3.997 1.00 0.00 H new ATOM 1402 N SER B 642 15.175 1.719 -4.995 1.00 0.00 N ATOM 1403 CA SER B 642 14.791 3.113 -4.872 1.00 0.00 C ATOM 1404 C SER B 642 13.712 3.458 -5.894 1.00 0.00 C ATOM 1405 O SER B 642 13.975 3.485 -7.097 1.00 0.00 O ATOM 1406 CB SER B 642 16.019 4.003 -5.066 1.00 0.00 C ATOM 1407 OG SER B 642 16.739 3.633 -6.235 1.00 0.00 O ATOM 0 H SER B 642 15.754 1.512 -5.809 1.00 0.00 H new ATOM 0 HA SER B 642 14.384 3.285 -3.876 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.709 5.045 -5.141 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.669 3.926 -4.195 1.00 0.00 H new ATOM 0 HG SER B 642 16.108 3.427 -6.956 1.00 0.00 H new ATOM 1413 N VAL B 643 12.497 3.695 -5.418 1.00 0.00 N ATOM 1414 CA VAL B 643 11.389 4.007 -6.294 1.00 0.00 C ATOM 1415 C VAL B 643 10.708 5.313 -5.882 1.00 0.00 C ATOM 1416 O VAL B 643 10.272 5.467 -4.740 1.00 0.00 O ATOM 1417 CB VAL B 643 10.367 2.850 -6.302 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.953 2.462 -4.889 1.00 0.00 C ATOM 1419 CG2 VAL B 643 9.154 3.217 -7.129 1.00 0.00 C ATOM 0 H VAL B 643 12.259 3.676 -4.426 1.00 0.00 H new ATOM 0 HA VAL B 643 11.784 4.136 -7.302 1.00 0.00 H new ATOM 0 HB VAL B 643 10.850 1.985 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.233 1.645 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.831 2.143 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.498 3.320 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.445 2.389 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.680 4.103 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.461 3.423 -8.154 1.00 0.00 H new ATOM 1429 N GLU B 644 10.641 6.257 -6.813 1.00 0.00 N ATOM 1430 CA GLU B 644 9.964 7.524 -6.570 1.00 0.00 C ATOM 1431 C GLU B 644 8.455 7.338 -6.680 1.00 0.00 C ATOM 1432 O GLU B 644 7.930 7.023 -7.750 1.00 0.00 O ATOM 1433 CB GLU B 644 10.445 8.589 -7.559 1.00 0.00 C ATOM 1434 CG GLU B 644 11.894 8.995 -7.351 1.00 0.00 C ATOM 1435 CD GLU B 644 12.353 10.056 -8.326 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.662 9.711 -9.484 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 12.410 11.243 -7.941 1.00 0.00 O ATOM 0 H GLU B 644 11.048 6.168 -7.744 1.00 0.00 H new ATOM 0 HA GLU B 644 10.204 7.861 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.323 8.213 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.812 9.471 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.020 9.365 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.531 8.116 -7.452 1.00 0.00 H new ATOM 1444 N VAL B 645 7.763 7.500 -5.565 1.00 0.00 N ATOM 1445 CA VAL B 645 6.342 7.299 -5.495 1.00 0.00 C ATOM 1446 C VAL B 645 5.661 8.584 -5.026 1.00 0.00 C ATOM 1447 O VAL B 645 6.282 9.403 -4.354 1.00 0.00 O ATOM 1448 CB VAL B 645 6.056 6.159 -4.502 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.602 6.136 -4.130 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.489 4.819 -5.077 1.00 0.00 C ATOM 0 H VAL B 645 8.185 7.778 -4.679 1.00 0.00 H new ATOM 0 HA VAL B 645 5.953 7.038 -6.479 1.00 0.00 H new ATOM 0 HB VAL B 645 6.637 6.340 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.419 5.323 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.330 7.084 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL B 645 4.000 5.984 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL B 645 6.277 4.029 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.942 4.625 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.558 4.841 -5.287 1.00 0.00 H new ATOM 1460 N LEU B 646 4.396 8.779 -5.389 1.00 0.00 N ATOM 1461 CA LEU B 646 3.661 9.919 -4.873 1.00 0.00 C ATOM 1462 C LEU B 646 3.306 9.679 -3.413 1.00 0.00 C ATOM 1463 O LEU B 646 2.885 8.586 -3.034 1.00 0.00 O ATOM 1464 CB LEU B 646 2.382 10.222 -5.660 1.00 0.00 C ATOM 1465 CG LEU B 646 2.582 10.683 -7.102 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.455 11.608 -7.532 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.911 11.379 -7.268 1.00 0.00 C ATOM 0 H LEU B 646 3.873 8.176 -6.023 1.00 0.00 H new ATOM 0 HA LEU B 646 4.314 10.786 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.762 9.326 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.824 10.991 -5.127 1.00 0.00 H new ATOM 0 HG LEU B 646 2.573 9.798 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.617 11.925 -8.562 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.504 11.081 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.435 12.483 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.028 11.697 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.950 12.250 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.716 10.693 -7.006 1.00 0.00 H new ATOM 1479 N VAL B 647 3.455 10.718 -2.612 1.00 0.00 N ATOM 1480 CA VAL B 647 3.254 10.625 -1.169 1.00 0.00 C ATOM 1481 C VAL B 647 1.797 10.341 -0.813 1.00 0.00 C ATOM 1482 O VAL B 647 1.481 10.017 0.328 1.00 0.00 O ATOM 1483 CB VAL B 647 3.702 11.918 -0.458 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.202 12.115 -0.597 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.948 13.124 -1.003 1.00 0.00 C ATOM 0 H VAL B 647 3.718 11.649 -2.937 1.00 0.00 H new ATOM 0 HA VAL B 647 3.867 9.791 -0.826 1.00 0.00 H new ATOM 0 HB VAL B 647 3.467 11.821 0.602 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.497 13.033 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.723 11.269 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.463 12.185 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.280 14.025 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.145 13.224 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.879 12.988 -0.842 1.00 0.00 H new ATOM 1495 N GLU B 648 0.916 10.456 -1.796 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.502 10.231 -1.577 1.00 0.00 C ATOM 1497 C GLU B 648 -0.855 8.750 -1.715 1.00 0.00 C ATOM 1498 O GLU B 648 -2.015 8.365 -1.553 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.321 11.069 -2.562 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.042 10.741 -4.018 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.718 11.698 -4.973 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.293 12.867 -5.042 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.664 11.280 -5.673 1.00 0.00 O1- ATOM 0 H GLU B 648 1.161 10.704 -2.755 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.744 10.538 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.381 10.917 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.112 12.125 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU B 648 0.034 10.762 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.379 9.726 -4.228 1.00 0.00 H new ATOM 1510 N TYR B 649 0.144 7.922 -2.018 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.066 6.489 -2.127 1.00 0.00 C ATOM 1512 C TYR B 649 -0.026 5.822 -0.758 1.00 0.00 C ATOM 1513 O TYR B 649 0.983 5.903 -0.049 1.00 0.00 O ATOM 1514 CB TYR B 649 0.988 5.861 -3.035 1.00 0.00 C ATOM 1515 CG TYR B 649 0.631 5.906 -4.502 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -0.313 5.035 -5.030 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.240 6.811 -5.357 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.639 5.066 -6.370 1.00 0.00 C ATOM 1519 CE2 TYR B 649 0.920 6.850 -6.699 1.00 0.00 C ATOM 1520 CZ TYR B 649 -0.021 5.975 -7.200 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.341 6.009 -8.535 1.00 0.00 O ATOM 0 H TYR B 649 1.103 8.223 -2.191 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.053 6.332 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.937 6.376 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.138 4.823 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -0.800 4.322 -4.381 1.00 0.00 H new ATOM 0 HD2 TYR B 649 1.977 7.497 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -1.375 4.381 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.403 7.561 -7.353 1.00 0.00 H new ATOM 0 HH TYR B 649 0.183 6.708 -8.979 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.121 5.157 -0.364 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.192 4.430 0.889 1.00 0.00 C ATOM 1533 C PRO B 650 -0.602 3.031 0.763 1.00 0.00 C ATOM 1534 O PRO B 650 -1.136 2.183 0.051 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.694 4.358 1.191 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.402 4.915 -0.007 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.384 5.054 -1.101 1.00 0.00 C ATOM 0 HA PRO B 650 -0.620 4.918 1.678 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -3.002 3.329 1.379 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.937 4.932 2.085 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.212 4.254 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.850 5.881 0.226 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.391 4.194 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.567 5.937 -1.713 1.00 0.00 H new ATOM 1545 N PHE B 651 0.494 2.793 1.460 1.00 0.00 N ATOM 1546 CA PHE B 651 1.156 1.502 1.418 1.00 0.00 C ATOM 1547 C PHE B 651 0.652 0.600 2.528 1.00 0.00 C ATOM 1548 O PHE B 651 0.702 0.954 3.709 1.00 0.00 O ATOM 1549 CB PHE B 651 2.672 1.659 1.540 1.00 0.00 C ATOM 1550 CG PHE B 651 3.342 2.100 0.273 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.400 3.439 -0.069 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.922 1.168 -0.575 1.00 0.00 C ATOM 1553 CE1 PHE B 651 4.020 3.842 -1.235 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.543 1.566 -1.741 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.594 2.904 -2.072 1.00 0.00 C ATOM 0 H PHE B 651 0.946 3.480 2.064 1.00 0.00 H new ATOM 0 HA PHE B 651 0.923 1.047 0.455 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.890 2.383 2.325 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.102 0.708 1.854 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.956 4.177 0.583 1.00 0.00 H new ATOM 0 HD2 PHE B 651 3.887 0.119 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE B 651 4.056 4.890 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE B 651 4.989 0.830 -2.394 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.081 3.218 -2.983 1.00 0.00 H new ATOM 1565 N PHE B 652 0.148 -0.557 2.144 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.203 -1.575 3.107 1.00 0.00 C ATOM 1567 C PHE B 652 1.074 -2.142 3.696 1.00 0.00 C ATOM 1568 O PHE B 652 1.972 -2.543 2.961 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.029 -2.676 2.449 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.385 -2.821 3.063 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.529 -3.406 4.306 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.512 -2.360 2.407 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.773 -3.526 4.886 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.760 -2.480 2.983 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.890 -3.064 4.225 1.00 0.00 C ATOM 0 H PHE B 652 -0.026 -0.812 1.172 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.810 -1.138 3.900 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.137 -2.459 1.386 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.495 -3.623 2.528 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.658 -3.773 4.828 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.414 -1.901 1.434 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.873 -3.983 5.860 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.634 -2.117 2.462 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.865 -3.159 4.679 1.00 0.00 H new ATOM 1585 N VAL B 653 1.180 -2.145 5.011 1.00 0.00 N ATOM 1586 CA VAL B 653 2.420 -2.536 5.645 1.00 0.00 C ATOM 1587 C VAL B 653 2.269 -3.881 6.378 1.00 0.00 C ATOM 1588 O VAL B 653 1.434 -4.020 7.273 1.00 0.00 O ATOM 1589 CB VAL B 653 2.917 -1.428 6.598 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.345 -1.675 6.972 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.800 -0.052 5.966 1.00 0.00 C ATOM 0 H VAL B 653 0.431 -1.884 5.653 1.00 0.00 H new ATOM 0 HA VAL B 653 3.172 -2.672 4.867 1.00 0.00 H new ATOM 0 HB VAL B 653 2.287 -1.454 7.487 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.686 -0.888 7.644 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.429 -2.640 7.471 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.961 -1.677 6.073 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.159 0.702 6.667 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.400 -0.017 5.056 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.757 0.148 5.721 1.00 0.00 H new ATOM 1601 N PHE B 654 3.148 -4.826 6.007 1.00 0.00 N ATOM 1602 CA PHE B 654 3.024 -6.276 6.292 1.00 0.00 C ATOM 1603 C PHE B 654 2.418 -6.633 7.657 1.00 0.00 C ATOM 1604 O PHE B 654 1.486 -7.430 7.732 1.00 0.00 O ATOM 1605 CB PHE B 654 4.398 -6.931 6.137 1.00 0.00 C ATOM 1606 CG PHE B 654 4.402 -8.416 6.374 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.017 -9.287 5.369 1.00 0.00 C ATOM 1608 CD2 PHE B 654 4.794 -8.940 7.596 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.021 -10.653 5.577 1.00 0.00 C ATOM 1610 CE2 PHE B 654 4.798 -10.304 7.810 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.411 -11.162 6.799 1.00 0.00 C ATOM 0 H PHE B 654 3.994 -4.601 5.483 1.00 0.00 H new ATOM 0 HA PHE B 654 2.309 -6.663 5.566 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.771 -6.734 5.132 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.093 -6.461 6.833 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.710 -8.894 4.411 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.100 -8.274 8.389 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.719 -11.322 4.784 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.104 -10.700 8.767 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.414 -12.229 6.965 1.00 0.00 H new ATOM 1621 N GLY B 655 2.966 -6.101 8.725 1.00 0.00 N ATOM 1622 CA GLY B 655 2.400 -6.339 10.041 1.00 0.00 C ATOM 1623 C GLY B 655 2.454 -5.082 10.863 1.00 0.00 C ATOM 1624 O GLY B 655 2.366 -5.104 12.092 1.00 0.00 O ATOM 0 H GLY B 655 3.794 -5.506 8.714 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.368 -6.676 9.946 1.00 0.00 H new ATOM 0 HA3 GLY B 655 2.950 -7.135 10.543 1.00 0.00 H new ATOM 1628 N GLN B 656 2.608 -3.979 10.159 1.00 0.00 N ATOM 1629 CA GLN B 656 2.875 -2.701 10.780 1.00 0.00 C ATOM 1630 C GLN B 656 1.608 -1.838 10.751 1.00 0.00 C ATOM 1631 O GLN B 656 1.353 -1.069 11.678 1.00 0.00 O ATOM 1632 CB GLN B 656 4.046 -2.002 10.062 1.00 0.00 C ATOM 1633 CG GLN B 656 5.402 -2.737 10.094 1.00 0.00 C ATOM 1634 CD GLN B 656 5.408 -4.107 9.424 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.620 -4.133 8.117 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.226 -5.127 10.075 1.00 0.00 N flip ATOM 0 H GLN B 656 2.551 -3.945 9.141 1.00 0.00 H new ATOM 0 HA GLN B 656 3.161 -2.852 11.821 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.765 -1.847 9.020 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.180 -1.016 10.506 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.150 -2.109 9.610 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.709 -2.856 11.133 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.066 -5.068 11.081 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.235 -6.036 9.612 1.00 0.00 H new ATOM 1645 N GLY B 657 0.802 -1.982 9.693 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.486 -1.304 9.654 1.00 0.00 C ATOM 1647 C GLY B 657 -0.866 -0.764 8.284 1.00 0.00 C ATOM 1648 O GLY B 657 -0.091 -0.846 7.331 1.00 0.00 O ATOM 0 H GLY B 657 1.017 -2.549 8.873 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.259 -1.997 9.986 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.471 -0.479 10.366 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.077 -0.217 8.200 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.587 0.414 6.982 1.00 0.00 C ATOM 1654 C TRP B 658 -2.070 1.853 6.924 1.00 0.00 C ATOM 1655 O TRP B 658 -2.613 2.739 7.582 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.129 0.371 7.011 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.846 0.799 5.755 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.167 1.135 5.686 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.333 0.931 4.414 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.512 1.457 4.402 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.411 1.346 3.603 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.083 0.744 3.811 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.277 1.570 2.239 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.958 0.970 2.453 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.048 1.379 1.683 1.00 0.00 C ATOM 0 H TRP B 658 -2.736 -0.198 8.978 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.244 -0.113 6.092 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.436 -0.648 7.247 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.471 1.004 7.830 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.845 1.145 6.527 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.443 1.735 4.091 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.232 0.429 4.396 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.118 1.885 1.639 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -1.998 0.827 1.979 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.914 1.548 0.625 1.00 0.00 H new ATOM 1676 N SER B 659 -1.017 2.082 6.148 1.00 0.00 N ATOM 1677 CA SER B 659 -0.279 3.332 6.235 1.00 0.00 C ATOM 1678 C SER B 659 -0.191 4.048 4.889 1.00 0.00 C ATOM 1679 O SER B 659 -0.549 3.496 3.858 1.00 0.00 O ATOM 1680 CB SER B 659 1.127 3.052 6.769 1.00 0.00 C ATOM 1681 OG SER B 659 1.073 2.331 7.989 1.00 0.00 O ATOM 0 H SER B 659 -0.659 1.423 5.457 1.00 0.00 H new ATOM 0 HA SER B 659 -0.818 3.991 6.915 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.694 2.484 6.031 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.656 3.993 6.921 1.00 0.00 H new ATOM 0 HG SER B 659 1.983 2.162 8.310 1.00 0.00 H new ATOM 1687 N SER B 660 0.255 5.299 4.929 1.00 0.00 N ATOM 1688 CA SER B 660 0.501 6.079 3.726 1.00 0.00 C ATOM 1689 C SER B 660 1.715 6.972 3.930 1.00 0.00 C ATOM 1690 O SER B 660 2.008 7.386 5.055 1.00 0.00 O ATOM 1691 CB SER B 660 -0.713 6.941 3.384 1.00 0.00 C ATOM 1692 OG SER B 660 -0.444 7.778 2.275 1.00 0.00 O ATOM 0 H SER B 660 0.455 5.798 5.796 1.00 0.00 H new ATOM 0 HA SER B 660 0.686 5.391 2.901 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.567 6.301 3.163 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.986 7.550 4.246 1.00 0.00 H new ATOM 0 HG SER B 660 -1.176 8.420 2.165 1.00 0.00 H new ATOM 1698 N CYS B 661 2.416 7.258 2.837 1.00 0.00 N ATOM 1699 CA CYS B 661 3.595 8.118 2.869 1.00 0.00 C ATOM 1700 C CYS B 661 3.212 9.523 3.311 1.00 0.00 C ATOM 1701 O CYS B 661 4.062 10.319 3.713 1.00 0.00 O ATOM 1702 CB CYS B 661 4.246 8.165 1.489 1.00 0.00 C ATOM 1703 SG CYS B 661 4.691 6.541 0.835 1.00 0.00 S ATOM 0 H CYS B 661 2.185 6.903 1.909 1.00 0.00 H new ATOM 0 HA CYS B 661 4.308 7.707 3.584 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.564 8.652 0.792 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.142 8.783 1.542 1.00 0.00 H new ATOM 0 HG CYS B 661 3.704 6.071 0.131 1.00 0.00 H new ATOM 1709 N CYS B 662 1.925 9.814 3.220 1.00 0.00 N ATOM 1710 CA CYS B 662 1.377 11.065 3.688 1.00 0.00 C ATOM 1711 C CYS B 662 -0.103 10.875 3.981 1.00 0.00 C ATOM 1712 O CYS B 662 -0.953 11.113 3.117 1.00 0.00 O ATOM 1713 CB CYS B 662 1.584 12.175 2.654 1.00 0.00 C ATOM 1714 SG CYS B 662 0.975 13.798 3.170 1.00 0.00 S ATOM 0 H CYS B 662 1.232 9.183 2.817 1.00 0.00 H new ATOM 0 HA CYS B 662 1.895 11.366 4.599 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.648 12.254 2.431 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.084 11.890 1.728 1.00 0.00 H new ATOM 0 HG CYS B 662 1.199 14.665 2.228 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.431 10.415 5.201 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.819 10.206 5.614 1.00 0.00 C ATOM 1722 C PRO B 663 -2.631 11.474 5.460 1.00 0.00 C ATOM 1723 O PRO B 663 -3.832 11.428 5.189 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.712 9.823 7.087 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.326 9.301 7.249 1.00 0.00 C ATOM 1726 CD PRO B 663 0.521 10.065 6.270 1.00 0.00 C ATOM 0 HA PRO B 663 -2.320 9.449 5.011 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.888 10.684 7.732 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.452 9.068 7.353 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.029 9.447 8.269 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.286 8.231 7.047 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.960 10.953 6.725 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.345 9.460 5.893 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.952 12.603 5.630 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.550 13.904 5.422 1.00 0.00 C ATOM 1736 C GLU B 664 -3.196 13.967 4.049 1.00 0.00 C ATOM 1737 O GLU B 664 -4.397 14.147 3.933 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.492 15.002 5.535 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.750 15.004 6.857 1.00 0.00 C ATOM 1740 CD GLU B 664 -1.653 15.270 8.040 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -2.022 16.444 8.263 1.00 0.00 O ATOM 1742 OE2 GLU B 664 -1.982 14.314 8.767 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.973 12.636 5.916 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.309 14.060 6.188 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.772 14.884 4.725 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.971 15.971 5.397 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.257 14.041 6.992 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.033 15.762 6.827 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.388 13.764 3.017 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.842 13.910 1.640 1.00 0.00 C ATOM 1751 C ARG B 665 -3.846 12.820 1.258 1.00 0.00 C ATOM 1752 O ARG B 665 -4.849 13.104 0.601 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.639 13.894 0.695 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.978 14.259 -0.737 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.727 14.601 -1.528 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.043 15.770 -0.974 1.00 0.00 N ATOM 1757 CZ ARG B 665 0.952 16.414 -1.583 1.00 0.00 C ATOM 1758 NH1 ARG B 665 1.415 15.983 -2.748 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 1.495 17.483 -1.018 1.00 0.00 N ATOM 0 H ARG B 665 -1.408 13.496 3.109 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.356 14.867 1.550 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.887 14.589 1.068 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.191 12.901 0.710 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.497 13.427 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.661 15.108 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.049 13.747 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.994 14.793 -2.567 1.00 0.00 H new ATOM 0 HE ARG B 665 -0.347 16.114 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.009 15.154 -3.183 1.00 0.00 H new ATOM 0 HH12 ARG B 665 2.177 16.480 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG B 665 1.151 17.813 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG B 665 2.257 17.975 -1.485 1.00 0.00 H new ATOM 1773 N THR B 666 -3.592 11.582 1.676 1.00 0.00 N ATOM 1774 CA THR B 666 -4.508 10.488 1.376 1.00 0.00 C ATOM 1775 C THR B 666 -5.877 10.743 2.018 1.00 0.00 C ATOM 1776 O THR B 666 -6.916 10.506 1.403 1.00 0.00 O ATOM 1777 CB THR B 666 -3.936 9.131 1.843 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.593 8.996 1.358 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.771 7.962 1.324 1.00 0.00 C ATOM 0 H THR B 666 -2.770 11.315 2.217 1.00 0.00 H new ATOM 0 HA THR B 666 -4.631 10.443 0.294 1.00 0.00 H new ATOM 0 HB THR B 666 -3.958 9.110 2.933 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.610 8.792 0.400 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.339 7.024 1.672 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.792 8.051 1.695 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.778 7.976 0.234 1.00 0.00 H new ATOM 1787 N SER B 667 -5.878 11.267 3.239 1.00 0.00 N ATOM 1788 CA SER B 667 -7.124 11.610 3.914 1.00 0.00 C ATOM 1789 C SER B 667 -7.687 12.939 3.388 1.00 0.00 C ATOM 1790 O SER B 667 -8.892 13.169 3.418 1.00 0.00 O ATOM 1791 CB SER B 667 -6.907 11.681 5.423 1.00 0.00 C ATOM 1792 OG SER B 667 -8.122 11.917 6.119 1.00 0.00 O ATOM 0 H SER B 667 -5.035 11.463 3.779 1.00 0.00 H new ATOM 0 HA SER B 667 -7.853 10.828 3.702 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.464 10.748 5.771 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.197 12.476 5.651 1.00 0.00 H new ATOM 0 HG SER B 667 -7.945 11.955 7.082 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.808 13.816 2.926 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.212 15.093 2.357 1.00 0.00 C ATOM 1800 C GLN B 668 -8.014 14.940 1.078 1.00 0.00 C ATOM 1801 O GLN B 668 -9.099 15.506 0.937 1.00 0.00 O ATOM 1802 CB GLN B 668 -5.989 15.918 2.063 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.598 16.793 3.221 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.622 17.865 3.560 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.823 17.700 3.350 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -6.146 18.975 4.100 1.00 0.00 N ATOM 0 H GLN B 668 -5.799 13.664 2.935 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.851 15.582 3.093 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.159 15.257 1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.175 16.540 1.187 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.439 16.167 4.099 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.646 17.273 2.995 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.144 19.076 4.259 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -6.782 19.730 4.357 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.475 14.169 0.151 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.032 14.095 -1.189 1.00 0.00 C ATOM 1817 C LEU B 669 -9.011 12.940 -1.313 1.00 0.00 C ATOM 1818 O LEU B 669 -10.026 13.036 -1.999 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.909 13.914 -2.207 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.640 14.731 -1.942 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.613 14.481 -3.033 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.949 16.218 -1.819 1.00 0.00 C ATOM 0 H LEU B 669 -6.652 13.585 0.301 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.565 15.025 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.640 12.858 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.290 14.178 -3.193 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.223 14.404 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.717 15.068 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.356 13.422 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.028 14.773 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.026 16.767 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.401 16.574 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.641 16.379 -0.993 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.689 11.846 -0.649 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.456 10.616 -0.781 1.00 0.00 C ATOM 1836 C PHE B 670 -10.259 10.343 0.483 1.00 0.00 C ATOM 1837 O PHE B 670 -11.022 9.376 0.554 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.497 9.457 -1.058 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.418 9.812 -2.045 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.733 10.297 -3.304 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.084 9.669 -1.702 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.738 10.632 -4.202 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.085 10.003 -2.593 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.411 10.484 -3.845 1.00 0.00 C ATOM 0 H PHE B 670 -7.898 11.782 -0.009 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.157 10.719 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.036 9.142 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.063 8.606 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.769 10.415 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.822 9.291 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.996 11.009 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.049 9.888 -2.311 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.630 10.744 -4.545 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.067 11.211 1.477 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.691 11.072 2.795 1.00 0.00 C ATOM 1856 C ASP B 671 -10.347 9.741 3.438 1.00 0.00 C ATOM 1857 O ASP B 671 -11.031 9.285 4.348 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.209 11.259 2.724 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.617 12.704 2.929 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.818 13.104 4.096 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -12.737 13.450 1.934 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.471 12.035 1.391 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.284 11.865 3.423 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.571 10.915 1.755 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.686 10.637 3.482 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.258 9.143 2.992 1.00 0.00 N ATOM 1867 CA LEU B 672 -8.872 7.832 3.467 1.00 0.00 C ATOM 1868 C LEU B 672 -7.760 7.966 4.502 1.00 0.00 C ATOM 1869 O LEU B 672 -6.644 8.370 4.178 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.431 6.944 2.293 1.00 0.00 C ATOM 1871 CG LEU B 672 -7.959 5.545 2.693 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.115 4.751 3.278 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.349 4.809 1.506 1.00 0.00 C ATOM 0 H LEU B 672 -8.626 9.547 2.301 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.730 7.355 3.941 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.263 6.847 1.596 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.625 7.446 1.758 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.184 5.650 3.452 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.768 3.757 3.559 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.500 5.264 4.159 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.908 4.662 2.535 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.023 3.818 1.821 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.094 4.712 0.716 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.493 5.370 1.131 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.059 7.650 5.770 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.096 7.786 6.850 1.00 0.00 C ATOM 1887 C PRO B 673 -6.077 6.653 6.848 1.00 0.00 C ATOM 1888 O PRO B 673 -6.418 5.492 6.621 1.00 0.00 O ATOM 1889 CB PRO B 673 -7.957 7.756 8.111 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.192 7.006 7.734 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.348 7.115 6.238 1.00 0.00 C ATOM 0 HA PRO B 673 -6.503 8.697 6.764 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.434 7.264 8.931 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.198 8.765 8.446 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.114 5.962 8.036 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.063 7.421 8.242 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.561 6.145 5.790 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.172 7.777 5.972 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.826 7.007 7.080 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.736 6.044 7.059 1.00 0.00 C ATOM 1901 C CYS B 674 -2.792 6.293 8.223 1.00 0.00 C ATOM 1902 O CYS B 674 -2.736 7.398 8.766 1.00 0.00 O ATOM 1903 CB CYS B 674 -2.970 6.163 5.736 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.014 6.007 4.269 1.00 0.00 S ATOM 0 H CYS B 674 -4.536 7.963 7.287 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.149 5.039 7.150 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.462 7.127 5.707 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.198 5.394 5.704 1.00 0.00 H new ATOM 0 HG CYS B 674 -4.954 6.904 4.308 1.00 0.00 H new ATOM 1910 N SER B 675 -2.081 5.255 8.626 1.00 0.00 N ATOM 1911 CA SER B 675 -0.986 5.399 9.563 1.00 0.00 C ATOM 1912 C SER B 675 0.205 5.974 8.812 1.00 0.00 C ATOM 1913 O SER B 675 0.237 5.936 7.584 1.00 0.00 O ATOM 1914 CB SER B 675 -0.640 4.038 10.171 1.00 0.00 C ATOM 1915 OG SER B 675 -1.802 3.405 10.685 1.00 0.00 O ATOM 0 H SER B 675 -2.246 4.298 8.315 1.00 0.00 H new ATOM 0 HA SER B 675 -1.263 6.068 10.377 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.179 3.403 9.414 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.092 4.166 10.968 1.00 0.00 H new ATOM 0 HG SER B 675 -1.559 2.536 11.067 1.00 0.00 H new ATOM 1921 N LYS B 676 1.162 6.540 9.517 1.00 0.00 N ATOM 1922 CA LYS B 676 2.310 7.115 8.848 1.00 0.00 C ATOM 1923 C LYS B 676 3.224 6.024 8.314 1.00 0.00 C ATOM 1924 O LYS B 676 3.750 5.212 9.072 1.00 0.00 O ATOM 1925 CB LYS B 676 3.097 8.043 9.772 1.00 0.00 C ATOM 1926 CG LYS B 676 4.265 8.717 9.073 1.00 0.00 C ATOM 1927 CD LYS B 676 3.795 9.506 7.858 1.00 0.00 C ATOM 1928 CE LYS B 676 4.942 10.228 7.167 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.546 11.276 8.029 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.170 6.614 10.534 1.00 0.00 H new ATOM 0 HA LYS B 676 1.933 7.707 8.014 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.428 8.806 10.169 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.469 7.472 10.622 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.774 9.384 9.769 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.991 7.965 8.764 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.314 8.830 7.151 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.043 10.232 8.166 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.708 9.505 6.887 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.580 10.683 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.191 11.863 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.794 11.874 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.077 10.826 8.802 1.00 0.00 H new ATOM 1943 N LEU B 677 3.386 6.006 7.002 1.00 0.00 N ATOM 1944 CA LEU B 677 4.340 5.123 6.362 1.00 0.00 C ATOM 1945 C LEU B 677 5.697 5.803 6.381 1.00 0.00 C ATOM 1946 O LEU B 677 5.873 6.869 5.789 1.00 0.00 O ATOM 1947 CB LEU B 677 3.897 4.808 4.920 1.00 0.00 C ATOM 1948 CG LEU B 677 4.737 3.788 4.128 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.041 4.393 3.623 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.016 2.557 4.972 1.00 0.00 C ATOM 0 H LEU B 677 2.864 6.599 6.357 1.00 0.00 H new ATOM 0 HA LEU B 677 4.398 4.175 6.897 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.870 4.444 4.955 1.00 0.00 H new ATOM 0 HB3 LEU B 677 3.885 5.743 4.359 1.00 0.00 H new ATOM 0 HG LEU B 677 4.153 3.495 3.256 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.602 3.639 3.070 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.821 5.235 2.967 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.634 4.738 4.470 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.610 1.848 4.396 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.565 2.847 5.868 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.073 2.091 5.259 1.00 0.00 H new ATOM 1962 N SER B 678 6.635 5.224 7.098 1.00 0.00 N ATOM 1963 CA SER B 678 7.977 5.765 7.145 1.00 0.00 C ATOM 1964 C SER B 678 9.020 4.659 7.187 1.00 0.00 C ATOM 1965 O SER B 678 8.684 3.475 7.200 1.00 0.00 O ATOM 1966 CB SER B 678 8.136 6.695 8.347 1.00 0.00 C ATOM 1967 OG SER B 678 7.215 7.768 8.269 1.00 0.00 O ATOM 0 H SER B 678 6.495 4.381 7.655 1.00 0.00 H new ATOM 0 HA SER B 678 8.137 6.340 6.233 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.976 6.137 9.270 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.154 7.083 8.382 1.00 0.00 H new ATOM 0 HG SER B 678 7.328 8.354 9.047 1.00 0.00 H new ATOM 1973 N VAL B 679 10.284 5.060 7.182 1.00 0.00 N ATOM 1974 CA VAL B 679 11.393 4.133 7.249 1.00 0.00 C ATOM 1975 C VAL B 679 11.254 3.178 8.436 1.00 0.00 C ATOM 1976 O VAL B 679 11.014 3.596 9.570 1.00 0.00 O ATOM 1977 CB VAL B 679 12.726 4.915 7.296 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.620 6.119 8.217 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.884 4.022 7.707 1.00 0.00 C ATOM 0 H VAL B 679 10.564 6.039 7.131 1.00 0.00 H new ATOM 0 HA VAL B 679 11.387 3.516 6.351 1.00 0.00 H new ATOM 0 HB VAL B 679 12.928 5.274 6.287 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.571 6.651 8.231 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.837 6.786 7.856 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.376 5.785 9.225 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.804 4.606 7.729 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.692 3.610 8.698 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.988 3.208 6.990 1.00 0.00 H new ATOM 1989 N GLY B 680 11.391 1.890 8.150 1.00 0.00 N ATOM 1990 CA GLY B 680 11.157 0.862 9.144 1.00 0.00 C ATOM 1991 C GLY B 680 9.932 0.029 8.830 1.00 0.00 C ATOM 1992 O GLY B 680 9.835 -1.126 9.251 1.00 0.00 O ATOM 0 H GLY B 680 11.664 1.536 7.233 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.030 0.212 9.204 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.037 1.326 10.123 1.00 0.00 H new ATOM 1996 N ASP B 681 9.000 0.599 8.074 1.00 0.00 N ATOM 1997 CA ASP B 681 7.742 -0.084 7.791 1.00 0.00 C ATOM 1998 C ASP B 681 7.881 -1.021 6.603 1.00 0.00 C ATOM 1999 O ASP B 681 8.070 -0.587 5.470 1.00 0.00 O ATOM 2000 CB ASP B 681 6.611 0.912 7.530 1.00 0.00 C ATOM 2001 CG ASP B 681 6.154 1.630 8.785 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.425 1.017 9.592 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.521 2.807 8.978 1.00 0.00 O ATOM 0 H ASP B 681 9.089 1.522 7.650 1.00 0.00 H new ATOM 0 HA ASP B 681 7.492 -0.670 8.675 1.00 0.00 H new ATOM 0 HB2 ASP B 681 6.944 1.648 6.798 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.764 0.385 7.090 1.00 0.00 H new ATOM 2008 N VAL B 682 7.770 -2.311 6.857 1.00 0.00 N ATOM 2009 CA VAL B 682 7.883 -3.293 5.791 1.00 0.00 C ATOM 2010 C VAL B 682 6.658 -3.235 4.891 1.00 0.00 C ATOM 2011 O VAL B 682 5.584 -3.703 5.261 1.00 0.00 O ATOM 2012 CB VAL B 682 8.031 -4.723 6.354 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.105 -5.743 5.235 1.00 0.00 C ATOM 2014 CG2 VAL B 682 9.248 -4.828 7.253 1.00 0.00 C ATOM 0 H VAL B 682 7.603 -2.703 7.784 1.00 0.00 H new ATOM 0 HA VAL B 682 8.777 -3.052 5.216 1.00 0.00 H new ATOM 0 HB VAL B 682 7.146 -4.939 6.952 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.209 -6.742 5.659 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.194 -5.695 4.638 1.00 0.00 H new ATOM 0 HG13 VAL B 682 8.965 -5.526 4.602 1.00 0.00 H new ATOM 0 HG21 VAL B 682 9.330 -5.845 7.637 1.00 0.00 H new ATOM 0 HG22 VAL B 682 10.144 -4.582 6.683 1.00 0.00 H new ATOM 0 HG23 VAL B 682 9.146 -4.133 8.086 1.00 0.00 H new ATOM 2024 N CYS B 683 6.830 -2.688 3.701 1.00 0.00 N ATOM 2025 CA CYS B 683 5.716 -2.497 2.794 1.00 0.00 C ATOM 2026 C CYS B 683 5.337 -3.804 2.136 1.00 0.00 C ATOM 2027 O CYS B 683 6.197 -4.598 1.747 1.00 0.00 O ATOM 2028 CB CYS B 683 6.048 -1.441 1.739 1.00 0.00 C ATOM 2029 SG CYS B 683 6.379 0.192 2.443 1.00 0.00 S ATOM 0 H CYS B 683 7.730 -2.369 3.342 1.00 0.00 H new ATOM 0 HA CYS B 683 4.863 -2.142 3.373 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.918 -1.767 1.170 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.218 -1.365 1.037 1.00 0.00 H new ATOM 0 HG CYS B 683 7.265 0.806 1.717 1.00 0.00 H new ATOM 2035 N ILE B 684 4.044 -4.027 2.057 1.00 0.00 N ATOM 2036 CA ILE B 684 3.506 -5.194 1.407 1.00 0.00 C ATOM 2037 C ILE B 684 3.546 -5.004 -0.095 1.00 0.00 C ATOM 2038 O ILE B 684 2.758 -4.235 -0.654 1.00 0.00 O ATOM 2039 CB ILE B 684 2.040 -5.443 1.824 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.957 -5.941 3.260 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.360 -6.431 0.883 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.540 -5.989 3.786 1.00 0.00 C ATOM 0 H ILE B 684 3.337 -3.401 2.443 1.00 0.00 H new ATOM 0 HA ILE B 684 4.112 -6.049 1.705 1.00 0.00 H new ATOM 0 HB ILE B 684 1.515 -4.490 1.758 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.395 -6.937 3.319 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.555 -5.291 3.899 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.329 -6.587 1.202 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.370 -6.033 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.894 -7.381 0.905 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.546 -6.352 4.814 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.107 -4.989 3.756 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.055 -6.661 3.167 1.00 0.00 H new ATOM 2054 N SER B 685 4.470 -5.659 -0.750 1.00 0.00 N ATOM 2055 CA SER B 685 4.437 -5.694 -2.184 1.00 0.00 C ATOM 2056 C SER B 685 3.431 -6.749 -2.600 1.00 0.00 C ATOM 2057 O SER B 685 3.615 -7.933 -2.326 1.00 0.00 O ATOM 2058 CB SER B 685 5.819 -6.035 -2.722 1.00 0.00 C ATOM 2059 OG SER B 685 6.812 -5.782 -1.735 1.00 0.00 O ATOM 0 H SER B 685 5.242 -6.167 -0.319 1.00 0.00 H new ATOM 0 HA SER B 685 4.147 -4.723 -2.587 1.00 0.00 H new ATOM 0 HB2 SER B 685 5.852 -7.083 -3.020 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.025 -5.444 -3.614 1.00 0.00 H new ATOM 0 HG SER B 685 7.630 -6.273 -1.960 1.00 0.00 H new ATOM 2065 N LEU B 686 2.366 -6.332 -3.249 1.00 0.00 N ATOM 2066 CA LEU B 686 1.356 -7.265 -3.666 1.00 0.00 C ATOM 2067 C LEU B 686 1.502 -7.507 -5.153 1.00 0.00 C ATOM 2068 O LEU B 686 1.414 -6.577 -5.955 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.029 -6.713 -3.327 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.085 -7.751 -2.945 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.420 -8.652 -4.118 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.622 -8.580 -1.755 1.00 0.00 C ATOM 0 H LEU B 686 2.182 -5.359 -3.496 1.00 0.00 H new ATOM 0 HA LEU B 686 1.475 -8.213 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.074 -6.007 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.395 -6.150 -4.185 1.00 0.00 H new ATOM 0 HG LEU B 686 -1.990 -7.213 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.173 -9.379 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.807 -8.050 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.521 -9.175 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.389 -9.312 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.303 -9.097 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.448 -7.925 -0.901 1.00 0.00 H new ATOM 2084 N THR B 687 1.723 -8.751 -5.516 1.00 0.00 N ATOM 2085 CA THR B 687 1.997 -9.088 -6.888 1.00 0.00 C ATOM 2086 C THR B 687 0.740 -9.571 -7.590 1.00 0.00 C ATOM 2087 O THR B 687 0.139 -10.571 -7.194 1.00 0.00 O ATOM 2088 CB THR B 687 3.069 -10.183 -6.956 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.215 -9.792 -6.186 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.479 -10.447 -8.389 1.00 0.00 C ATOM 0 H THR B 687 1.717 -9.545 -4.876 1.00 0.00 H new ATOM 0 HA THR B 687 2.356 -8.190 -7.391 1.00 0.00 H new ATOM 0 HB THR B 687 2.650 -11.101 -6.543 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.397 -8.840 -6.331 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.240 -11.227 -8.412 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.610 -10.771 -8.962 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.882 -9.534 -8.826 1.00 0.00 H new ATOM 2098 N LEU B 688 0.350 -8.843 -8.621 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.786 -9.214 -9.443 1.00 0.00 C ATOM 2100 C LEU B 688 -0.299 -9.960 -10.682 1.00 0.00 C ATOM 2101 O LEU B 688 0.152 -9.341 -11.647 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.569 -7.961 -9.862 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.798 -7.589 -9.013 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -3.910 -8.603 -9.214 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.452 -7.461 -7.529 1.00 0.00 C ATOM 0 H LEU B 688 0.811 -7.980 -8.911 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.445 -9.863 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -0.883 -7.114 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -1.897 -8.095 -10.893 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.144 -6.612 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -4.771 -8.324 -8.606 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.199 -8.623 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.560 -9.591 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.348 -7.197 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.061 -8.410 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.699 -6.684 -7.397 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.357 -11.284 -10.631 1.00 0.00 N ATOM 2118 CA LYS B 689 0.017 -12.128 -11.751 1.00 0.00 C ATOM 2119 C LYS B 689 -0.877 -11.873 -12.959 1.00 0.00 C ATOM 2120 O LYS B 689 -2.004 -12.412 -12.989 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.081 -13.588 -11.325 1.00 0.00 C ATOM 2122 CG LYS B 689 1.218 -14.202 -10.913 1.00 0.00 C ATOM 2123 CD LYS B 689 1.736 -13.560 -9.653 1.00 0.00 C ATOM 2124 CE LYS B 689 2.841 -14.378 -9.039 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.029 -14.481 -9.927 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -0.450 -11.139 -13.871 1.00 0.00 O ATOM 0 H LYS B 689 -0.666 -11.802 -9.808 1.00 0.00 H new ATOM 0 HA LYS B 689 1.041 -11.892 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.784 -13.665 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.497 -14.167 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.085 -15.272 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.950 -14.087 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.103 -12.558 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS B 689 0.922 -13.449 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS B 689 3.137 -13.930 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.469 -15.378 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.787 -14.995 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 3.771 -14.993 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.362 -13.527 -10.174 1.00 0.00 H new TER 2140 LYS B 689