USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=34 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: A 47 SER OG : rot 14:sc= 1.28 USER MOD Set 1.2: B 685 SER OG : rot -172:sc= -0.376 USER MOD Set 2.1: B 676 LYS NZ :NH3+ 166:sc= 2.32 (180deg=0.843) USER MOD Set 2.2: B 678 SER OG : rot 150:sc= -1.27! USER MOD Set 3.1: B 660 SER OG : rot 163:sc= 0.496 USER MOD Set 3.2: B 666 THR OG1 : rot -72:sc= 0.625 USER MOD Set 4.1: B 631 GLN : amide:sc= 0.0469 K(o=0.11,f=-1.1) USER MOD Set 4.2: B 640 GLN :FLIP amide:sc= 0.0661 F(o=-1.1,f=0.11) USER MOD Single : A 38 HIS : no HD1:sc= -0.655 X(o=-0.65,f=-0.63) USER MOD Single : A 39 SER OG : rot 76:sc= 1.12 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 570 THR OG1 : rot 180:sc= 0 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl 150:sc= -0.368 (180deg=-0.59) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 98:sc= -0.749! USER MOD Single : B 582 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 585 ASN : amide:sc= -0.952! C(o=-0.95!,f=-11!) USER MOD Single : B 589 LYS NZ :NH3+ -168:sc= 2.14 (180deg=2.03) USER MOD Single : B 590 LYS NZ :NH3+ -113:sc= -0.118 (180deg=-0.609) USER MOD Single : B 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 596 THR OG1 : rot -117:sc= -0.979! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 122:sc= -0.0569! USER MOD Single : B 606 SER OG : rot 82:sc= 0.95 USER MOD Single : B 607 ASN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 180:sc= 0 USER MOD Single : B 614 SER OG : rot 90:sc= -0.599 USER MOD Single : B 615 THR OG1 : rot 180:sc= -0.9 USER MOD Single : B 622 SER OG : rot -123:sc= 1.3 USER MOD Single : B 623 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.0049) USER MOD Single : B 624 SER OG : rot 63:sc= 0.176 USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=-3.8e-05) USER MOD Single : B 642 SER OG : rot 44:sc= 0.0722 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -10.2! C(o=-18!,f=-10!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.81! USER MOD Single : B 661 CYS SG : rot 50:sc= 0.145 USER MOD Single : B 662 CYS SG : rot 21:sc= -2.8! USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN :FLIP amide:sc= -0.743 F(o=-1.4!,f=-0.74) USER MOD Single : B 674 CYS SG : rot 15:sc= -1.52 USER MOD Single : B 675 SER OG : rot 80:sc= 0.0433 USER MOD Single : B 683 CYS SG : rot -170:sc= -1.53 USER MOD Single : B 687 THR OG1 : rot 170:sc= -1.05 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.587 -3.840 -5.469 1.00 0.00 N ATOM 2 CA VAL A 34 -17.367 -3.666 -4.647 1.00 0.00 C ATOM 3 C VAL A 34 -16.147 -4.132 -5.427 1.00 0.00 C ATOM 4 O VAL A 34 -16.236 -5.025 -6.276 1.00 0.00 O ATOM 5 CB VAL A 34 -17.472 -4.411 -3.297 1.00 0.00 C ATOM 6 CG1 VAL A 34 -18.769 -4.052 -2.594 1.00 0.00 C ATOM 7 CG2 VAL A 34 -17.368 -5.912 -3.466 1.00 0.00 C ATOM 0 HA VAL A 34 -17.262 -2.605 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.630 -4.091 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.828 -4.585 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -18.798 -2.978 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -19.614 -4.335 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.447 -6.394 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.174 -6.262 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.408 -6.162 -3.918 1.00 0.00 H new ATOM 19 N PHE A 35 -15.014 -3.514 -5.145 1.00 0.00 N ATOM 20 CA PHE A 35 -13.823 -3.686 -5.962 1.00 0.00 C ATOM 21 C PHE A 35 -12.935 -4.794 -5.422 1.00 0.00 C ATOM 22 O PHE A 35 -12.831 -4.974 -4.206 1.00 0.00 O ATOM 23 CB PHE A 35 -13.041 -2.368 -6.023 1.00 0.00 C ATOM 24 CG PHE A 35 -13.719 -1.310 -6.848 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.038 -0.976 -6.614 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.039 -0.655 -7.860 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.671 -0.015 -7.370 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.665 0.310 -8.623 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.984 0.630 -8.379 1.00 0.00 C ATOM 0 H PHE A 35 -14.892 -2.885 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.138 -3.970 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.897 -1.992 -5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.050 -2.560 -6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.582 -1.476 -5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.006 -0.902 -8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.703 0.234 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.123 0.814 -9.410 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.478 1.383 -8.975 1.00 0.00 H new ATOM 39 N PRO A 36 -12.315 -5.577 -6.328 1.00 0.00 N ATOM 40 CA PRO A 36 -11.294 -6.555 -5.961 1.00 0.00 C ATOM 41 C PRO A 36 -10.194 -5.899 -5.144 1.00 0.00 C ATOM 42 O PRO A 36 -9.745 -4.797 -5.466 1.00 0.00 O ATOM 43 CB PRO A 36 -10.753 -7.042 -7.306 1.00 0.00 C ATOM 44 CG PRO A 36 -11.862 -6.803 -8.268 1.00 0.00 C ATOM 45 CD PRO A 36 -12.580 -5.577 -7.778 1.00 0.00 C ATOM 0 HA PRO A 36 -11.686 -7.366 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.855 -6.495 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.484 -8.098 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.478 -6.653 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.535 -7.659 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.201 -4.673 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.648 -5.626 -7.990 1.00 0.00 H new ATOM 53 N TRP A 37 -9.765 -6.594 -4.100 1.00 0.00 N ATOM 54 CA TRP A 37 -8.917 -6.016 -3.064 1.00 0.00 C ATOM 55 C TRP A 37 -7.670 -5.313 -3.604 1.00 0.00 C ATOM 56 O TRP A 37 -7.217 -4.330 -3.014 1.00 0.00 O ATOM 57 CB TRP A 37 -8.530 -7.075 -2.032 1.00 0.00 C ATOM 58 CG TRP A 37 -7.950 -8.326 -2.612 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.631 -9.328 -3.238 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.578 -8.725 -2.597 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.766 -10.317 -3.623 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.500 -9.972 -3.240 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.405 -8.147 -2.105 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.300 -10.650 -3.403 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.212 -8.823 -2.267 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.168 -10.064 -2.912 1.00 0.00 C ATOM 0 H TRP A 37 -9.995 -7.576 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.516 -5.241 -2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.808 -6.642 -1.340 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.413 -7.336 -1.449 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.698 -9.340 -3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -8.024 -11.172 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.431 -7.189 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.263 -11.608 -3.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.299 -8.387 -1.890 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.220 -10.569 -3.024 1.00 0.00 H new ATOM 77 N HIS A 38 -7.096 -5.810 -4.700 1.00 0.00 N ATOM 78 CA HIS A 38 -5.981 -5.119 -5.326 1.00 0.00 C ATOM 79 C HIS A 38 -6.441 -3.792 -5.941 1.00 0.00 C ATOM 80 O HIS A 38 -6.795 -3.714 -7.115 1.00 0.00 O ATOM 81 CB HIS A 38 -5.282 -6.012 -6.363 1.00 0.00 C ATOM 82 CG HIS A 38 -6.141 -6.492 -7.500 1.00 0.00 C ATOM 83 ND1 HIS A 38 -6.015 -6.016 -8.787 1.00 0.00 N ATOM 84 CD2 HIS A 38 -7.111 -7.437 -7.548 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.864 -6.644 -9.573 1.00 0.00 C ATOM 86 NE2 HIS A 38 -7.543 -7.512 -8.848 1.00 0.00 N ATOM 0 H HIS A 38 -7.382 -6.673 -5.162 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.247 -4.890 -4.553 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.438 -5.462 -6.778 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.874 -6.882 -5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.476 -8.022 -6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.984 -6.477 -10.633 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.270 -8.137 -9.197 1.00 0.00 H new ATOM 95 N SER A 39 -6.452 -2.756 -5.117 1.00 0.00 N ATOM 96 CA SER A 39 -6.904 -1.441 -5.532 1.00 0.00 C ATOM 97 C SER A 39 -6.112 -0.366 -4.790 1.00 0.00 C ATOM 98 O SER A 39 -5.475 0.502 -5.389 1.00 0.00 O ATOM 99 CB SER A 39 -8.405 -1.320 -5.229 1.00 0.00 C ATOM 100 OG SER A 39 -8.883 -0.008 -5.455 1.00 0.00 O ATOM 0 H SER A 39 -6.148 -2.805 -4.144 1.00 0.00 H new ATOM 0 HA SER A 39 -6.742 -1.305 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.959 -2.021 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.590 -1.601 -4.192 1.00 0.00 H new ATOM 0 HG SER A 39 -8.974 0.146 -6.419 1.00 0.00 H new ATOM 106 N LEU A 40 -6.163 -0.462 -3.475 1.00 0.00 N ATOM 107 CA LEU A 40 -5.447 0.430 -2.569 1.00 0.00 C ATOM 108 C LEU A 40 -4.059 -0.121 -2.279 1.00 0.00 C ATOM 109 O LEU A 40 -3.141 0.626 -1.951 1.00 0.00 O ATOM 110 CB LEU A 40 -6.234 0.554 -1.264 1.00 0.00 C ATOM 111 CG LEU A 40 -7.244 -0.578 -1.019 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.502 -0.746 0.458 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.562 -0.298 -1.738 1.00 0.00 C ATOM 0 H LEU A 40 -6.712 -1.174 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.345 1.411 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.531 0.583 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.766 1.505 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.815 -1.498 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.220 -1.552 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.568 -0.989 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.905 0.182 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.260 -1.114 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.986 0.636 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.381 -0.216 -2.810 1.00 0.00 H new ATOM 125 N VAL A 41 -3.920 -1.439 -2.388 1.00 0.00 N ATOM 126 CA VAL A 41 -2.652 -2.093 -2.169 1.00 0.00 C ATOM 127 C VAL A 41 -1.766 -1.977 -3.409 1.00 0.00 C ATOM 128 O VAL A 41 -2.111 -2.463 -4.489 1.00 0.00 O ATOM 129 CB VAL A 41 -2.849 -3.579 -1.784 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.610 -4.348 -2.860 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.515 -4.229 -1.506 1.00 0.00 C ATOM 0 H VAL A 41 -4.682 -2.072 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.156 -1.591 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.453 -3.609 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.727 -5.387 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.593 -3.899 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.054 -4.309 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.669 -5.274 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.890 -4.172 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.022 -3.711 -0.683 1.00 0.00 H new ATOM 141 N PRO A 42 -0.635 -1.284 -3.279 1.00 0.00 N ATOM 142 CA PRO A 42 0.326 -1.128 -4.352 1.00 0.00 C ATOM 143 C PRO A 42 1.470 -2.127 -4.248 1.00 0.00 C ATOM 144 O PRO A 42 1.386 -3.129 -3.534 1.00 0.00 O ATOM 145 CB PRO A 42 0.834 0.282 -4.088 1.00 0.00 C ATOM 146 CG PRO A 42 0.883 0.369 -2.598 1.00 0.00 C ATOM 147 CD PRO A 42 -0.196 -0.556 -2.075 1.00 0.00 C ATOM 0 HA PRO A 42 -0.099 -1.292 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.817 0.443 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.167 1.033 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.863 0.072 -2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.712 1.392 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.190 -1.234 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.016 -0.000 -1.620 1.00 0.00 H new ATOM 155 N PHE A 43 2.532 -1.845 -4.972 1.00 0.00 N ATOM 156 CA PHE A 43 3.759 -2.603 -4.877 1.00 0.00 C ATOM 157 C PHE A 43 4.934 -1.675 -5.123 1.00 0.00 C ATOM 158 O PHE A 43 4.931 -0.901 -6.082 1.00 0.00 O ATOM 159 CB PHE A 43 3.760 -3.779 -5.863 1.00 0.00 C ATOM 160 CG PHE A 43 3.311 -3.425 -7.254 1.00 0.00 C ATOM 161 CD1 PHE A 43 1.970 -3.501 -7.597 1.00 0.00 C ATOM 162 CD2 PHE A 43 4.225 -3.028 -8.215 1.00 0.00 C ATOM 163 CE1 PHE A 43 1.552 -3.185 -8.873 1.00 0.00 C ATOM 164 CE2 PHE A 43 3.812 -2.708 -9.492 1.00 0.00 C ATOM 165 CZ PHE A 43 2.474 -2.788 -9.823 1.00 0.00 C ATOM 0 H PHE A 43 2.568 -1.080 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 43 3.844 -3.028 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.767 -4.193 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.111 -4.564 -5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.246 -3.811 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.273 -2.968 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.505 -3.248 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.534 -2.395 -10.232 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.148 -2.541 -10.823 1.00 0.00 H new ATOM 175 N LEU A 44 5.915 -1.714 -4.236 1.00 0.00 N ATOM 176 CA LEU A 44 7.052 -0.817 -4.340 1.00 0.00 C ATOM 177 C LEU A 44 7.965 -1.252 -5.498 1.00 0.00 C ATOM 178 O LEU A 44 8.731 -2.205 -5.405 1.00 0.00 O ATOM 179 CB LEU A 44 7.793 -0.673 -2.972 1.00 0.00 C ATOM 180 CG LEU A 44 8.657 -1.843 -2.456 1.00 0.00 C ATOM 181 CD1 LEU A 44 8.026 -3.187 -2.772 1.00 0.00 C ATOM 182 CD2 LEU A 44 10.082 -1.748 -2.994 1.00 0.00 C ATOM 0 H LEU A 44 5.947 -2.353 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 44 6.699 0.186 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.436 0.205 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.041 -0.461 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 44 8.708 -1.764 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.663 -3.986 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.046 -3.249 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.915 -3.292 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.670 -2.584 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.063 -1.782 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.532 -0.810 -2.668 1.00 0.00 H new ATOM 194 N ALA A 45 7.793 -0.581 -6.627 1.00 0.00 N ATOM 195 CA ALA A 45 8.606 -0.825 -7.818 1.00 0.00 C ATOM 196 C ALA A 45 8.393 -2.259 -8.340 1.00 0.00 C ATOM 197 O ALA A 45 7.516 -2.964 -7.840 1.00 0.00 O ATOM 198 CB ALA A 45 10.070 -0.547 -7.491 1.00 0.00 C ATOM 0 H ALA A 45 7.089 0.147 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 45 8.298 -0.151 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.681 -0.727 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.182 0.491 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.394 -1.206 -6.686 1.00 0.00 H new ATOM 204 N PRO A 46 9.131 -2.713 -9.381 1.00 0.00 N ATOM 205 CA PRO A 46 9.103 -4.126 -9.787 1.00 0.00 C ATOM 206 C PRO A 46 9.410 -5.069 -8.620 1.00 0.00 C ATOM 207 O PRO A 46 8.852 -6.165 -8.542 1.00 0.00 O ATOM 208 CB PRO A 46 10.200 -4.208 -10.849 1.00 0.00 C ATOM 209 CG PRO A 46 10.256 -2.840 -11.429 1.00 0.00 C ATOM 210 CD PRO A 46 9.976 -1.904 -10.288 1.00 0.00 C ATOM 0 HA PRO A 46 8.121 -4.432 -10.147 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.156 -4.493 -10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.963 -4.952 -11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.233 -2.641 -11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.519 -2.721 -12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.895 -1.580 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.459 -1.005 -10.623 1.00 0.00 H new ATOM 218 N SER A 47 10.290 -4.619 -7.723 1.00 0.00 N ATOM 219 CA SER A 47 10.662 -5.341 -6.496 1.00 0.00 C ATOM 220 C SER A 47 11.127 -6.776 -6.761 1.00 0.00 C ATOM 221 O SER A 47 10.322 -7.709 -6.835 1.00 0.00 O ATOM 222 CB SER A 47 9.528 -5.315 -5.457 1.00 0.00 C ATOM 223 OG SER A 47 8.320 -5.878 -5.951 1.00 0.00 O ATOM 0 H SER A 47 10.775 -3.728 -7.827 1.00 0.00 H new ATOM 0 HA SER A 47 11.517 -4.806 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.842 -5.862 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.345 -4.285 -5.150 1.00 0.00 H new ATOM 0 HG SER A 47 8.503 -6.372 -6.777 1.00 0.00 H new ATOM 229 N GLN A 48 12.444 -6.922 -6.878 1.00 0.00 N ATOM 230 CA GLN A 48 13.106 -8.212 -7.059 1.00 0.00 C ATOM 231 C GLN A 48 12.526 -8.984 -8.245 1.00 0.00 C ATOM 232 O GLN A 48 12.958 -8.720 -9.384 1.00 0.00 O ATOM 233 CB GLN A 48 13.021 -9.042 -5.777 1.00 0.00 C ATOM 234 CG GLN A 48 14.086 -10.120 -5.693 1.00 0.00 C ATOM 235 CD GLN A 48 14.020 -10.919 -4.405 1.00 0.00 C ATOM 236 OE1 GLN A 48 13.599 -10.415 -3.364 1.00 0.00 O ATOM 237 NE2 GLN A 48 14.448 -12.168 -4.461 1.00 0.00 N ATOM 238 OXT GLN A 48 11.646 -9.851 -8.039 1.00 0.00 O ATOM 0 H GLN A 48 13.092 -6.135 -6.849 1.00 0.00 H new ATOM 0 HA GLN A 48 14.156 -8.017 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.114 -8.380 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.037 -9.507 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.977 -10.797 -6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.070 -9.659 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.790 -12.551 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.436 -12.749 -3.623 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -23.124 -0.487 0.494 1.00 0.00 N ATOM 249 CA ALA B 567 -23.340 0.601 -0.485 1.00 0.00 C ATOM 250 C ALA B 567 -22.161 1.564 -0.485 1.00 0.00 C ATOM 251 O ALA B 567 -21.638 1.923 0.573 1.00 0.00 O ATOM 252 CB ALA B 567 -24.624 1.350 -0.175 1.00 0.00 C ATOM 0 HA ALA B 567 -23.426 0.154 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -24.766 2.146 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -25.467 0.661 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -24.562 1.781 0.824 1.00 0.00 H new ATOM 258 N PRO B 568 -21.724 1.984 -1.679 1.00 0.00 N ATOM 259 CA PRO B 568 -20.609 2.917 -1.834 1.00 0.00 C ATOM 260 C PRO B 568 -21.020 4.350 -1.508 1.00 0.00 C ATOM 261 O PRO B 568 -22.181 4.727 -1.681 1.00 0.00 O ATOM 262 CB PRO B 568 -20.242 2.781 -3.312 1.00 0.00 C ATOM 263 CG PRO B 568 -21.504 2.366 -3.987 1.00 0.00 C ATOM 264 CD PRO B 568 -22.295 1.580 -2.978 1.00 0.00 C ATOM 0 HA PRO B 568 -19.782 2.696 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -19.871 3.723 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -19.455 2.041 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -22.066 3.236 -4.326 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -21.291 1.761 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -23.358 1.813 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -22.195 0.507 -3.141 1.00 0.00 H new ATOM 272 N PRO B 569 -20.069 5.164 -1.026 1.00 0.00 N ATOM 273 CA PRO B 569 -20.330 6.552 -0.643 1.00 0.00 C ATOM 274 C PRO B 569 -20.364 7.491 -1.845 1.00 0.00 C ATOM 275 O PRO B 569 -20.413 7.038 -2.990 1.00 0.00 O ATOM 276 CB PRO B 569 -19.140 6.877 0.258 1.00 0.00 C ATOM 277 CG PRO B 569 -18.027 6.067 -0.309 1.00 0.00 C ATOM 278 CD PRO B 569 -18.654 4.796 -0.819 1.00 0.00 C ATOM 0 HA PRO B 569 -21.302 6.677 -0.165 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -18.907 7.942 0.243 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -19.340 6.609 1.296 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -17.525 6.604 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -17.274 5.853 0.450 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -18.187 4.463 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -18.552 3.983 -0.100 1.00 0.00 H new ATOM 286 N THR B 570 -20.327 8.792 -1.589 1.00 0.00 N ATOM 287 CA THR B 570 -20.308 9.774 -2.663 1.00 0.00 C ATOM 288 C THR B 570 -18.921 9.841 -3.285 1.00 0.00 C ATOM 289 O THR B 570 -18.729 10.297 -4.414 1.00 0.00 O ATOM 290 CB THR B 570 -20.730 11.154 -2.149 1.00 0.00 C ATOM 291 OG1 THR B 570 -21.904 11.024 -1.331 1.00 0.00 O ATOM 292 CG2 THR B 570 -21.015 12.111 -3.298 1.00 0.00 C ATOM 0 H THR B 570 -20.310 9.190 -0.650 1.00 0.00 H new ATOM 0 HA THR B 570 -21.023 9.464 -3.425 1.00 0.00 H new ATOM 0 HB THR B 570 -19.908 11.563 -1.561 1.00 0.00 H new ATOM 0 HG1 THR B 570 -22.172 11.907 -1.001 1.00 0.00 H new ATOM 0 HG21 THR B 570 -21.312 13.081 -2.899 1.00 0.00 H new ATOM 0 HG22 THR B 570 -20.117 12.228 -3.905 1.00 0.00 H new ATOM 0 HG23 THR B 570 -21.820 11.710 -3.914 1.00 0.00 H new ATOM 300 N LEU B 571 -17.970 9.341 -2.532 1.00 0.00 N ATOM 301 CA LEU B 571 -16.597 9.231 -2.977 1.00 0.00 C ATOM 302 C LEU B 571 -16.460 8.034 -3.908 1.00 0.00 C ATOM 303 O LEU B 571 -17.254 7.095 -3.826 1.00 0.00 O ATOM 304 CB LEU B 571 -15.682 9.068 -1.762 1.00 0.00 C ATOM 305 CG LEU B 571 -15.603 10.275 -0.841 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.963 9.896 0.484 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.806 11.361 -1.516 1.00 0.00 C ATOM 0 H LEU B 571 -18.127 8.996 -1.585 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.310 10.132 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -16.025 8.211 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.677 8.834 -2.113 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.611 10.637 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.915 10.773 1.129 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.559 9.122 0.968 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.955 9.521 0.307 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -14.746 12.229 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.801 10.996 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -15.294 11.644 -2.449 1.00 0.00 H new ATOM 319 N PRO B 572 -15.484 8.063 -4.830 1.00 0.00 N ATOM 320 CA PRO B 572 -15.227 6.940 -5.731 1.00 0.00 C ATOM 321 C PRO B 572 -15.000 5.639 -4.964 1.00 0.00 C ATOM 322 O PRO B 572 -14.260 5.601 -3.987 1.00 0.00 O ATOM 323 CB PRO B 572 -13.966 7.352 -6.487 1.00 0.00 C ATOM 324 CG PRO B 572 -13.933 8.837 -6.395 1.00 0.00 C ATOM 325 CD PRO B 572 -14.571 9.192 -5.081 1.00 0.00 C ATOM 0 HA PRO B 572 -16.072 6.743 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.076 6.909 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.002 7.021 -7.525 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.909 9.207 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.475 9.290 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.830 9.293 -4.288 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.108 10.139 -5.138 1.00 0.00 H new ATOM 333 N PRO B 573 -15.630 4.559 -5.421 1.00 0.00 N ATOM 334 CA PRO B 573 -15.660 3.273 -4.713 1.00 0.00 C ATOM 335 C PRO B 573 -14.384 2.454 -4.888 1.00 0.00 C ATOM 336 O PRO B 573 -14.278 1.336 -4.378 1.00 0.00 O ATOM 337 CB PRO B 573 -16.829 2.567 -5.378 1.00 0.00 C ATOM 338 CG PRO B 573 -16.792 3.069 -6.774 1.00 0.00 C ATOM 339 CD PRO B 573 -16.361 4.501 -6.690 1.00 0.00 C ATOM 0 HA PRO B 573 -15.751 3.404 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.718 1.483 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.773 2.808 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -16.096 2.488 -7.379 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.771 2.984 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.728 4.781 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.215 5.179 -6.694 1.00 0.00 H new ATOM 347 N TYR B 574 -13.446 2.999 -5.644 1.00 0.00 N ATOM 348 CA TYR B 574 -12.174 2.324 -5.905 1.00 0.00 C ATOM 349 C TYR B 574 -11.408 2.013 -4.625 1.00 0.00 C ATOM 350 O TYR B 574 -11.294 0.852 -4.235 1.00 0.00 O ATOM 351 CB TYR B 574 -11.311 3.140 -6.869 1.00 0.00 C ATOM 352 CG TYR B 574 -10.113 2.396 -7.430 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.282 1.216 -8.139 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.820 2.874 -7.259 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.202 0.532 -8.662 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.732 2.198 -7.779 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.930 1.026 -8.478 1.00 0.00 C ATOM 358 OH TYR B 574 -6.851 0.346 -9.001 1.00 0.00 O ATOM 0 H TYR B 574 -13.537 3.911 -6.092 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.413 1.369 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.934 3.476 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.958 4.033 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.278 0.824 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.662 3.790 -6.710 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -9.354 -0.385 -9.212 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.734 2.585 -7.639 1.00 0.00 H new ATOM 0 HH TYR B 574 -6.025 0.827 -8.784 1.00 0.00 H new ATOM 368 N PHE B 575 -10.862 3.032 -3.993 1.00 0.00 N ATOM 369 CA PHE B 575 -10.159 2.842 -2.740 1.00 0.00 C ATOM 370 C PHE B 575 -10.450 3.997 -1.802 1.00 0.00 C ATOM 371 O PHE B 575 -9.932 4.059 -0.690 1.00 0.00 O ATOM 372 CB PHE B 575 -8.654 2.732 -2.990 1.00 0.00 C ATOM 373 CG PHE B 575 -7.953 4.051 -3.133 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.120 4.816 -4.268 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.130 4.523 -2.123 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.486 6.031 -4.396 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.491 5.737 -2.247 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.673 6.491 -3.387 1.00 0.00 C ATOM 0 H PHE B 575 -10.891 3.996 -4.324 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.505 1.917 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.200 2.180 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.490 2.147 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.755 4.458 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.988 3.933 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.627 6.623 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.851 6.096 -1.455 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.176 7.445 -3.488 1.00 0.00 H new ATOM 388 N MET B 576 -11.271 4.919 -2.267 1.00 0.00 N ATOM 389 CA MET B 576 -11.585 6.110 -1.491 1.00 0.00 C ATOM 390 C MET B 576 -12.401 5.753 -0.249 1.00 0.00 C ATOM 391 O MET B 576 -12.980 4.671 -0.163 1.00 0.00 O ATOM 392 CB MET B 576 -12.327 7.132 -2.349 1.00 0.00 C ATOM 393 CG MET B 576 -11.514 7.654 -3.527 1.00 0.00 C ATOM 394 SD MET B 576 -11.132 6.393 -4.764 1.00 0.00 S ATOM 395 CE MET B 576 -10.181 7.357 -5.937 1.00 0.00 C ATOM 0 H MET B 576 -11.733 4.870 -3.175 1.00 0.00 H new ATOM 0 HA MET B 576 -10.647 6.556 -1.162 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.244 6.679 -2.725 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.621 7.973 -1.722 1.00 0.00 H new ATOM 0 HG2 MET B 576 -12.064 8.464 -4.005 1.00 0.00 H new ATOM 0 HG3 MET B 576 -10.582 8.078 -3.154 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.454 6.713 -6.432 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.851 7.788 -6.681 1.00 0.00 H new ATOM 0 HE3 MET B 576 -9.659 8.157 -5.412 1.00 0.00 H new ATOM 405 N LYS B 577 -12.443 6.680 0.697 1.00 0.00 N ATOM 406 CA LYS B 577 -13.051 6.452 2.008 1.00 0.00 C ATOM 407 C LYS B 577 -14.482 5.918 1.915 1.00 0.00 C ATOM 408 O LYS B 577 -15.338 6.515 1.263 1.00 0.00 O ATOM 409 CB LYS B 577 -13.064 7.766 2.788 1.00 0.00 C ATOM 410 CG LYS B 577 -13.603 7.646 4.200 1.00 0.00 C ATOM 411 CD LYS B 577 -13.914 9.015 4.776 1.00 0.00 C ATOM 412 CE LYS B 577 -14.385 8.929 6.214 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.733 10.267 6.753 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.056 7.616 0.580 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.452 5.695 2.515 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.049 8.160 2.831 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.665 8.493 2.242 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.505 7.033 4.199 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -12.873 7.138 4.831 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.024 9.642 4.722 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.681 9.498 4.171 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.254 8.274 6.275 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.604 8.480 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -15.051 10.172 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.897 10.884 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.495 10.684 6.182 1.00 0.00 H new ATOM 427 N GLY B 578 -14.735 4.800 2.593 1.00 0.00 N ATOM 428 CA GLY B 578 -16.087 4.275 2.697 1.00 0.00 C ATOM 429 C GLY B 578 -16.407 3.229 1.652 1.00 0.00 C ATOM 430 O GLY B 578 -17.474 2.612 1.691 1.00 0.00 O ATOM 0 H GLY B 578 -14.025 4.247 3.073 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.226 3.842 3.688 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.796 5.098 2.606 1.00 0.00 H new ATOM 434 N SER B 579 -15.500 3.034 0.715 1.00 0.00 N ATOM 435 CA SER B 579 -15.675 2.025 -0.311 1.00 0.00 C ATOM 436 C SER B 579 -15.560 0.629 0.289 1.00 0.00 C ATOM 437 O SER B 579 -14.840 0.422 1.268 1.00 0.00 O ATOM 438 CB SER B 579 -14.631 2.219 -1.403 1.00 0.00 C ATOM 439 OG SER B 579 -14.650 3.552 -1.878 1.00 0.00 O ATOM 0 H SER B 579 -14.631 3.563 0.643 1.00 0.00 H new ATOM 0 HA SER B 579 -16.669 2.130 -0.745 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.641 1.980 -1.014 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.825 1.531 -2.226 1.00 0.00 H new ATOM 0 HG SER B 579 -13.947 4.068 -1.432 1.00 0.00 H new ATOM 445 N ILE B 580 -16.284 -0.325 -0.277 1.00 0.00 N ATOM 446 CA ILE B 580 -16.195 -1.693 0.186 1.00 0.00 C ATOM 447 C ILE B 580 -15.198 -2.455 -0.660 1.00 0.00 C ATOM 448 O ILE B 580 -15.309 -2.504 -1.888 1.00 0.00 O ATOM 449 CB ILE B 580 -17.548 -2.417 0.146 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.568 -1.722 1.042 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.382 -3.864 0.573 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.140 -1.621 2.495 1.00 0.00 C ATOM 0 H ILE B 580 -16.932 -0.175 -1.050 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.869 -1.659 1.225 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.917 -2.387 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.752 -0.719 0.657 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.513 -2.263 0.988 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.349 -4.366 0.540 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.689 -4.366 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -16.988 -3.901 1.589 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.917 -1.115 3.069 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.984 -2.621 2.899 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.212 -1.054 2.562 1.00 0.00 H new ATOM 464 N ILE B 581 -14.221 -3.034 -0.003 1.00 0.00 N ATOM 465 CA ILE B 581 -13.170 -3.750 -0.688 1.00 0.00 C ATOM 466 C ILE B 581 -13.336 -5.248 -0.473 1.00 0.00 C ATOM 467 O ILE B 581 -13.405 -5.711 0.668 1.00 0.00 O ATOM 468 CB ILE B 581 -11.787 -3.302 -0.183 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.702 -1.773 -0.109 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.699 -3.843 -1.080 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.920 -1.067 -1.429 1.00 0.00 C ATOM 0 H ILE B 581 -14.132 -3.023 1.013 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.240 -3.528 -1.753 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.646 -3.702 0.821 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.442 -1.415 0.606 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.722 -1.495 0.280 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.727 -3.518 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.739 -4.932 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.844 -3.470 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.842 0.010 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -11.164 -1.392 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.911 -1.310 -1.813 1.00 0.00 H new ATOM 483 N GLN B 582 -13.435 -5.998 -1.564 1.00 0.00 N ATOM 484 CA GLN B 582 -13.608 -7.442 -1.467 1.00 0.00 C ATOM 485 C GLN B 582 -12.274 -8.161 -1.496 1.00 0.00 C ATOM 486 O GLN B 582 -11.514 -8.052 -2.457 1.00 0.00 O ATOM 487 CB GLN B 582 -14.481 -7.967 -2.596 1.00 0.00 C ATOM 488 CG GLN B 582 -14.883 -9.425 -2.411 1.00 0.00 C ATOM 489 CD GLN B 582 -15.729 -9.955 -3.550 1.00 0.00 C ATOM 490 OE1 GLN B 582 -16.952 -9.811 -3.554 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.084 -10.595 -4.510 1.00 0.00 N ATOM 0 H GLN B 582 -13.399 -5.635 -2.517 1.00 0.00 H new ATOM 0 HA GLN B 582 -14.097 -7.639 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.380 -7.355 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.947 -7.860 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.984 -10.035 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.435 -9.528 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -14.069 -10.691 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -15.601 -10.993 -5.294 1.00 0.00 H new ATOM 500 N LEU B 583 -12.014 -8.912 -0.447 1.00 0.00 N ATOM 501 CA LEU B 583 -10.777 -9.653 -0.329 1.00 0.00 C ATOM 502 C LEU B 583 -10.871 -10.997 -1.038 1.00 0.00 C ATOM 503 O LEU B 583 -11.959 -11.395 -1.455 1.00 0.00 O ATOM 504 CB LEU B 583 -10.452 -9.842 1.140 1.00 0.00 C ATOM 505 CG LEU B 583 -10.355 -8.543 1.932 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.111 -8.846 3.393 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.256 -7.651 1.363 1.00 0.00 C ATOM 0 H LEU B 583 -12.649 -9.026 0.343 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.977 -9.089 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.218 -10.473 1.591 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.506 -10.378 1.225 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.298 -8.004 1.847 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.043 -7.913 3.952 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.935 -9.443 3.783 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.179 -9.401 3.499 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.201 -6.728 1.941 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.300 -8.171 1.418 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.481 -7.415 0.323 1.00 0.00 H new ATOM 519 N ALA B 584 -9.746 -11.690 -1.174 1.00 0.00 N ATOM 520 CA ALA B 584 -9.706 -12.934 -1.942 1.00 0.00 C ATOM 521 C ALA B 584 -10.706 -13.960 -1.428 1.00 0.00 C ATOM 522 O ALA B 584 -11.392 -14.622 -2.210 1.00 0.00 O ATOM 523 CB ALA B 584 -8.317 -13.529 -1.918 1.00 0.00 C ATOM 0 H ALA B 584 -8.853 -11.415 -0.766 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.980 -12.681 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.307 -14.454 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.611 -12.822 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -8.030 -13.741 -0.888 1.00 0.00 H new ATOM 529 N ASN B 585 -10.800 -14.074 -0.110 1.00 0.00 N ATOM 530 CA ASN B 585 -11.678 -15.054 0.516 1.00 0.00 C ATOM 531 C ASN B 585 -13.149 -14.715 0.268 1.00 0.00 C ATOM 532 O ASN B 585 -14.025 -15.559 0.450 1.00 0.00 O ATOM 533 CB ASN B 585 -11.396 -15.148 2.019 1.00 0.00 C ATOM 534 CG ASN B 585 -11.652 -13.854 2.764 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.590 -12.763 2.194 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.909 -13.968 4.052 1.00 0.00 N ATOM 0 H ASN B 585 -10.277 -13.497 0.549 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.474 -16.024 0.063 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -12.017 -15.934 2.449 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -10.358 -15.444 2.168 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -12.066 -13.133 4.617 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.951 -14.891 4.484 1.00 0.00 H new ATOM 543 N GLY B 586 -13.414 -13.484 -0.162 1.00 0.00 N ATOM 544 CA GLY B 586 -14.765 -13.096 -0.500 1.00 0.00 C ATOM 545 C GLY B 586 -15.421 -12.261 0.574 1.00 0.00 C ATOM 546 O GLY B 586 -16.633 -12.051 0.545 1.00 0.00 O ATOM 0 H GLY B 586 -12.715 -12.751 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.754 -12.534 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.362 -13.991 -0.673 1.00 0.00 H new ATOM 550 N GLU B 587 -14.635 -11.769 1.521 1.00 0.00 N ATOM 551 CA GLU B 587 -15.197 -10.967 2.593 1.00 0.00 C ATOM 552 C GLU B 587 -15.074 -9.491 2.258 1.00 0.00 C ATOM 553 O GLU B 587 -14.178 -9.081 1.515 1.00 0.00 O ATOM 554 CB GLU B 587 -14.534 -11.275 3.938 1.00 0.00 C ATOM 555 CG GLU B 587 -13.133 -10.724 4.095 1.00 0.00 C ATOM 556 CD GLU B 587 -12.624 -10.859 5.513 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.948 -9.989 6.349 1.00 0.00 O ATOM 558 OE2 GLU B 587 -11.909 -11.839 5.805 1.00 0.00 O1- ATOM 0 H GLU B 587 -13.626 -11.908 1.568 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.252 -11.223 2.687 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.159 -10.874 4.736 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.501 -12.356 4.072 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.460 -11.248 3.417 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.123 -9.673 3.805 1.00 0.00 H new ATOM 565 N LEU B 588 -15.986 -8.705 2.799 1.00 0.00 N ATOM 566 CA LEU B 588 -16.065 -7.295 2.482 1.00 0.00 C ATOM 567 C LEU B 588 -15.746 -6.451 3.707 1.00 0.00 C ATOM 568 O LEU B 588 -16.214 -6.742 4.808 1.00 0.00 O ATOM 569 CB LEU B 588 -17.467 -6.969 1.976 1.00 0.00 C ATOM 570 CG LEU B 588 -17.944 -7.821 0.800 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.383 -7.483 0.446 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.039 -7.617 -0.402 1.00 0.00 C ATOM 0 H LEU B 588 -16.688 -9.025 3.466 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.333 -7.065 1.708 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.171 -7.087 2.800 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.496 -5.920 1.680 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.900 -8.870 1.093 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.706 -8.099 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -20.024 -7.677 1.306 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.452 -6.431 0.171 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.392 -8.230 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.054 -6.567 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -16.020 -7.907 -0.144 1.00 0.00 H new ATOM 584 N LYS B 589 -14.923 -5.428 3.520 1.00 0.00 N ATOM 585 CA LYS B 589 -14.606 -4.499 4.589 1.00 0.00 C ATOM 586 C LYS B 589 -14.599 -3.076 4.058 1.00 0.00 C ATOM 587 O LYS B 589 -14.586 -2.855 2.844 1.00 0.00 O ATOM 588 CB LYS B 589 -13.226 -4.792 5.174 1.00 0.00 C ATOM 589 CG LYS B 589 -12.972 -6.242 5.548 1.00 0.00 C ATOM 590 CD LYS B 589 -11.631 -6.383 6.247 1.00 0.00 C ATOM 591 CE LYS B 589 -11.801 -6.544 7.741 1.00 0.00 C ATOM 592 NZ LYS B 589 -10.594 -6.109 8.489 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.463 -5.223 2.633 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.365 -4.614 5.363 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.471 -4.483 4.451 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.088 -4.176 6.062 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -13.768 -6.601 6.200 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -12.989 -6.863 4.653 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -11.098 -7.245 5.845 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.018 -5.505 6.042 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.662 -5.963 8.072 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -12.013 -7.588 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -10.668 -6.420 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -9.747 -6.530 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -10.521 -5.072 8.457 1.00 0.00 H new ATOM 606 N LYS B 590 -14.601 -2.116 4.972 1.00 0.00 N ATOM 607 CA LYS B 590 -14.388 -0.724 4.615 1.00 0.00 C ATOM 608 C LYS B 590 -12.909 -0.497 4.347 1.00 0.00 C ATOM 609 O LYS B 590 -12.075 -1.140 4.989 1.00 0.00 O ATOM 610 CB LYS B 590 -14.855 0.204 5.736 1.00 0.00 C ATOM 611 CG LYS B 590 -16.357 0.356 5.840 1.00 0.00 C ATOM 612 CD LYS B 590 -16.868 1.428 4.898 1.00 0.00 C ATOM 613 CE LYS B 590 -18.277 1.851 5.263 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.249 0.734 5.140 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.748 -2.278 5.968 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.968 -0.499 3.720 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.474 -0.173 6.685 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.413 1.188 5.584 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.838 -0.594 5.608 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.629 0.609 6.865 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.205 2.293 4.933 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.851 1.054 3.874 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.288 2.228 6.286 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.587 2.672 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -19.912 0.935 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -18.739 -0.150 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -19.777 0.634 6.030 1.00 0.00 H new ATOM 628 N VAL B 591 -12.585 0.390 3.414 1.00 0.00 N ATOM 629 CA VAL B 591 -11.193 0.612 3.009 1.00 0.00 C ATOM 630 C VAL B 591 -10.297 0.831 4.220 1.00 0.00 C ATOM 631 O VAL B 591 -9.248 0.204 4.367 1.00 0.00 O ATOM 632 CB VAL B 591 -11.040 1.850 2.110 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.668 1.862 1.466 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.130 1.919 1.061 1.00 0.00 C ATOM 0 H VAL B 591 -13.264 0.970 2.921 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.900 -0.284 2.462 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.141 2.735 2.738 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.571 2.743 0.832 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.902 1.887 2.241 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.542 0.964 0.861 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.987 2.807 0.446 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -12.086 1.031 0.431 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.103 1.969 1.550 1.00 0.00 H new ATOM 644 N GLU B 592 -10.751 1.711 5.091 1.00 0.00 N ATOM 645 CA GLU B 592 -9.987 2.139 6.246 1.00 0.00 C ATOM 646 C GLU B 592 -9.804 1.016 7.266 1.00 0.00 C ATOM 647 O GLU B 592 -8.821 0.991 8.010 1.00 0.00 O ATOM 648 CB GLU B 592 -10.691 3.321 6.905 1.00 0.00 C ATOM 649 CG GLU B 592 -12.158 3.056 7.207 1.00 0.00 C ATOM 650 CD GLU B 592 -13.099 3.542 6.115 1.00 0.00 C ATOM 651 OE1 GLU B 592 -13.053 3.000 4.991 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -13.894 4.468 6.384 1.00 0.00 O ATOM 0 H GLU B 592 -11.668 2.152 5.016 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.995 2.430 5.900 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.176 3.571 7.833 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.613 4.191 6.253 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.304 1.985 7.351 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.421 3.543 8.146 1.00 0.00 H new ATOM 659 N ASP B 593 -10.747 0.089 7.298 1.00 0.00 N ATOM 660 CA ASP B 593 -10.762 -0.948 8.324 1.00 0.00 C ATOM 661 C ASP B 593 -10.133 -2.249 7.816 1.00 0.00 C ATOM 662 O ASP B 593 -10.132 -3.274 8.505 1.00 0.00 O ATOM 663 CB ASP B 593 -12.201 -1.177 8.794 1.00 0.00 C ATOM 664 CG ASP B 593 -12.296 -2.069 10.014 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.815 -1.663 11.095 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.863 -3.177 9.898 1.00 0.00 O ATOM 0 H ASP B 593 -11.513 0.031 6.627 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.160 -0.614 9.169 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.660 -0.214 9.019 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.775 -1.622 7.981 1.00 0.00 H new ATOM 671 N LEU B 594 -9.607 -2.212 6.603 1.00 0.00 N ATOM 672 CA LEU B 594 -8.836 -3.316 6.076 1.00 0.00 C ATOM 673 C LEU B 594 -7.552 -3.489 6.864 1.00 0.00 C ATOM 674 O LEU B 594 -6.810 -2.535 7.096 1.00 0.00 O ATOM 675 CB LEU B 594 -8.520 -3.073 4.610 1.00 0.00 C ATOM 676 CG LEU B 594 -9.726 -3.128 3.684 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.397 -2.484 2.366 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.161 -4.562 3.462 1.00 0.00 C ATOM 0 H LEU B 594 -9.703 -1.422 5.964 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.424 -4.229 6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -8.047 -2.096 4.511 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.792 -3.815 4.281 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.545 -2.583 4.153 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.267 -2.529 1.712 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.119 -1.443 2.529 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.565 -3.013 1.900 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.025 -4.581 2.797 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.343 -5.125 3.011 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.428 -5.013 4.418 1.00 0.00 H new ATOM 690 N LYS B 595 -7.308 -4.708 7.288 1.00 0.00 N ATOM 691 CA LYS B 595 -6.124 -5.020 8.057 1.00 0.00 C ATOM 692 C LYS B 595 -5.095 -5.699 7.176 1.00 0.00 C ATOM 693 O LYS B 595 -5.436 -6.253 6.131 1.00 0.00 O ATOM 694 CB LYS B 595 -6.485 -5.909 9.246 1.00 0.00 C ATOM 695 CG LYS B 595 -7.406 -5.226 10.243 1.00 0.00 C ATOM 696 CD LYS B 595 -6.776 -3.959 10.794 1.00 0.00 C ATOM 697 CE LYS B 595 -7.716 -3.234 11.733 1.00 0.00 C ATOM 698 NZ LYS B 595 -7.157 -1.933 12.184 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.919 -5.506 7.112 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.696 -4.093 8.438 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.964 -6.817 8.881 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.571 -6.214 9.755 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.353 -4.984 9.761 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.631 -5.909 11.062 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.855 -4.209 11.321 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.503 -3.299 9.970 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.670 -3.065 11.233 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.918 -3.862 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -7.832 -1.469 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -6.260 -2.095 12.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -6.988 -1.323 11.359 1.00 0.00 H new ATOM 712 N THR B 596 -3.844 -5.660 7.592 1.00 0.00 N ATOM 713 CA THR B 596 -2.778 -6.231 6.795 1.00 0.00 C ATOM 714 C THR B 596 -2.913 -7.747 6.730 1.00 0.00 C ATOM 715 O THR B 596 -2.637 -8.356 5.701 1.00 0.00 O ATOM 716 CB THR B 596 -1.390 -5.831 7.332 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.377 -6.347 6.475 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.172 -6.345 8.743 1.00 0.00 C ATOM 0 H THR B 596 -3.543 -5.241 8.472 1.00 0.00 H new ATOM 0 HA THR B 596 -2.868 -5.829 5.786 1.00 0.00 H new ATOM 0 HB THR B 596 -1.338 -4.742 7.355 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.178 -6.985 6.971 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.183 -6.045 9.091 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.931 -5.927 9.404 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.244 -7.433 8.749 1.00 0.00 H new ATOM 726 N GLU B 597 -3.388 -8.341 7.823 1.00 0.00 N ATOM 727 CA GLU B 597 -3.621 -9.779 7.883 1.00 0.00 C ATOM 728 C GLU B 597 -4.643 -10.193 6.838 1.00 0.00 C ATOM 729 O GLU B 597 -4.614 -11.315 6.334 1.00 0.00 O ATOM 730 CB GLU B 597 -4.107 -10.180 9.272 1.00 0.00 C ATOM 731 CG GLU B 597 -3.163 -9.777 10.392 1.00 0.00 C ATOM 732 CD GLU B 597 -3.664 -10.206 11.754 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.402 -9.427 12.393 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -3.317 -11.323 12.193 1.00 0.00 O ATOM 0 H GLU B 597 -3.620 -7.843 8.683 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.680 -10.289 7.677 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.082 -9.727 9.450 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.248 -11.260 9.299 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.183 -10.219 10.213 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.032 -8.695 10.381 1.00 0.00 H new ATOM 741 N ASP B 598 -5.537 -9.273 6.512 1.00 0.00 N ATOM 742 CA ASP B 598 -6.563 -9.525 5.517 1.00 0.00 C ATOM 743 C ASP B 598 -5.935 -9.686 4.143 1.00 0.00 C ATOM 744 O ASP B 598 -6.247 -10.628 3.412 1.00 0.00 O ATOM 745 CB ASP B 598 -7.596 -8.395 5.496 1.00 0.00 C ATOM 746 CG ASP B 598 -8.407 -8.323 6.770 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.925 -9.368 7.216 1.00 0.00 O1- ATOM 748 OD2 ASP B 598 -8.528 -7.221 7.341 1.00 0.00 O ATOM 0 H ASP B 598 -5.571 -8.341 6.925 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.075 -10.450 5.784 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.086 -7.444 5.341 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.268 -8.538 4.650 1.00 0.00 H new ATOM 753 N PHE B 599 -5.033 -8.773 3.798 1.00 0.00 N ATOM 754 CA PHE B 599 -4.352 -8.844 2.515 1.00 0.00 C ATOM 755 C PHE B 599 -3.341 -9.975 2.507 1.00 0.00 C ATOM 756 O PHE B 599 -3.154 -10.635 1.483 1.00 0.00 O ATOM 757 CB PHE B 599 -3.683 -7.519 2.144 1.00 0.00 C ATOM 758 CG PHE B 599 -4.667 -6.480 1.683 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.722 -6.092 2.492 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.554 -5.917 0.425 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.640 -5.157 2.055 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.473 -4.985 -0.019 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.516 -4.604 0.798 1.00 0.00 C ATOM 0 H PHE B 599 -4.760 -7.984 4.384 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.110 -9.046 1.758 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.137 -7.138 3.007 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.951 -7.695 1.356 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.828 -6.525 3.476 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.737 -6.209 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.455 -4.859 2.698 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.374 -4.556 -1.005 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.234 -3.874 0.454 1.00 0.00 H new ATOM 773 N ILE B 600 -2.689 -10.199 3.643 1.00 0.00 N ATOM 774 CA ILE B 600 -1.829 -11.352 3.799 1.00 0.00 C ATOM 775 C ILE B 600 -2.571 -12.614 3.390 1.00 0.00 C ATOM 776 O ILE B 600 -2.150 -13.321 2.478 1.00 0.00 O ATOM 777 CB ILE B 600 -1.338 -11.472 5.254 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.343 -10.351 5.548 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.717 -12.836 5.515 1.00 0.00 C ATOM 780 CD1 ILE B 600 0.127 -10.306 6.982 1.00 0.00 C ATOM 0 H ILE B 600 -2.744 -9.595 4.463 1.00 0.00 H new ATOM 0 HA ILE B 600 -0.960 -11.225 3.153 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.192 -11.374 5.924 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.523 -10.468 4.896 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.804 -9.395 5.298 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.380 -12.890 6.550 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.458 -13.614 5.333 1.00 0.00 H new ATOM 0 HG23 ILE B 600 0.133 -12.982 4.849 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.830 -9.483 7.109 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.728 -10.157 7.641 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.619 -11.246 7.233 1.00 0.00 H new ATOM 792 N GLN B 601 -3.704 -12.856 4.031 1.00 0.00 N ATOM 793 CA GLN B 601 -4.536 -14.001 3.706 1.00 0.00 C ATOM 794 C GLN B 601 -4.985 -13.972 2.255 1.00 0.00 C ATOM 795 O GLN B 601 -4.886 -14.976 1.568 1.00 0.00 O ATOM 796 CB GLN B 601 -5.760 -14.058 4.611 1.00 0.00 C ATOM 797 CG GLN B 601 -5.435 -14.385 6.050 1.00 0.00 C ATOM 798 CD GLN B 601 -6.677 -14.461 6.909 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.278 -15.523 7.067 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.081 -13.332 7.459 1.00 0.00 N ATOM 0 H GLN B 601 -4.069 -12.271 4.783 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.928 -14.891 3.865 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.274 -13.098 4.573 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.452 -14.806 4.225 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.905 -15.336 6.095 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.763 -13.626 6.451 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.555 -12.472 7.304 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.920 -13.319 8.039 1.00 0.00 H new ATOM 809 N SER B 602 -5.468 -12.823 1.791 1.00 0.00 N ATOM 810 CA SER B 602 -6.031 -12.727 0.446 1.00 0.00 C ATOM 811 C SER B 602 -5.056 -13.257 -0.604 1.00 0.00 C ATOM 812 O SER B 602 -5.414 -14.095 -1.435 1.00 0.00 O ATOM 813 CB SER B 602 -6.435 -11.286 0.120 1.00 0.00 C ATOM 814 OG SER B 602 -5.322 -10.421 0.096 1.00 0.00 O ATOM 0 H SER B 602 -5.482 -11.951 2.321 1.00 0.00 H new ATOM 0 HA SER B 602 -6.926 -13.349 0.422 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.936 -11.260 -0.847 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.153 -10.934 0.861 1.00 0.00 H new ATOM 0 HG SER B 602 -5.258 -9.995 -0.784 1.00 0.00 H new ATOM 820 N ALA B 603 -3.823 -12.786 -0.546 1.00 0.00 N ATOM 821 CA ALA B 603 -2.795 -13.242 -1.467 1.00 0.00 C ATOM 822 C ALA B 603 -2.561 -14.743 -1.310 1.00 0.00 C ATOM 823 O ALA B 603 -2.527 -15.487 -2.290 1.00 0.00 O ATOM 824 CB ALA B 603 -1.506 -12.468 -1.238 1.00 0.00 C ATOM 0 H ALA B 603 -3.509 -12.088 0.128 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.133 -13.058 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.743 -12.818 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.686 -11.405 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.164 -12.625 -0.215 1.00 0.00 H new ATOM 830 N GLU B 604 -2.464 -15.185 -0.065 1.00 0.00 N ATOM 831 CA GLU B 604 -2.156 -16.574 0.249 1.00 0.00 C ATOM 832 C GLU B 604 -3.245 -17.521 -0.247 1.00 0.00 C ATOM 833 O GLU B 604 -2.957 -18.600 -0.765 1.00 0.00 O ATOM 834 CB GLU B 604 -1.980 -16.707 1.755 1.00 0.00 C ATOM 835 CG GLU B 604 -0.802 -15.908 2.279 1.00 0.00 C ATOM 836 CD GLU B 604 0.534 -16.517 1.920 1.00 0.00 C ATOM 837 OE1 GLU B 604 0.935 -16.435 0.739 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.199 -17.074 2.820 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.596 -14.593 0.755 1.00 0.00 H new ATOM 0 HA GLU B 604 -1.235 -16.853 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.890 -16.374 2.254 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.843 -17.758 2.009 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.852 -14.895 1.880 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.878 -15.828 3.363 1.00 0.00 H new ATOM 845 N ILE B 605 -4.490 -17.101 -0.090 1.00 0.00 N ATOM 846 CA ILE B 605 -5.645 -17.891 -0.501 1.00 0.00 C ATOM 847 C ILE B 605 -5.749 -17.952 -2.027 1.00 0.00 C ATOM 848 O ILE B 605 -6.322 -18.889 -2.585 1.00 0.00 O ATOM 849 CB ILE B 605 -6.949 -17.294 0.088 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.834 -17.176 1.611 1.00 0.00 C ATOM 851 CG2 ILE B 605 -8.156 -18.143 -0.287 1.00 0.00 C ATOM 852 CD1 ILE B 605 -8.009 -16.476 2.266 1.00 0.00 C ATOM 0 H ILE B 605 -4.731 -16.202 0.326 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.511 -18.903 -0.119 1.00 0.00 H new ATOM 0 HB ILE B 605 -7.091 -16.299 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.736 -18.175 2.036 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.920 -16.635 1.855 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -9.057 -17.702 0.139 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -8.249 -18.183 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -8.026 -19.152 0.104 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.852 -16.433 3.344 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -8.096 -15.464 1.871 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.925 -17.028 2.055 1.00 0.00 H new ATOM 864 N SER B 606 -5.173 -16.963 -2.697 1.00 0.00 N ATOM 865 CA SER B 606 -5.282 -16.866 -4.146 1.00 0.00 C ATOM 866 C SER B 606 -4.123 -17.560 -4.855 1.00 0.00 C ATOM 867 O SER B 606 -4.298 -18.085 -5.953 1.00 0.00 O ATOM 868 CB SER B 606 -5.336 -15.405 -4.571 1.00 0.00 C ATOM 869 OG SER B 606 -6.366 -14.712 -3.895 1.00 0.00 O ATOM 0 H SER B 606 -4.627 -16.219 -2.262 1.00 0.00 H new ATOM 0 HA SER B 606 -6.203 -17.371 -4.436 1.00 0.00 H new ATOM 0 HB2 SER B 606 -4.378 -14.928 -4.365 1.00 0.00 H new ATOM 0 HB3 SER B 606 -5.498 -15.343 -5.647 1.00 0.00 H new ATOM 0 HG SER B 606 -6.051 -14.443 -3.007 1.00 0.00 H new ATOM 875 N ASN B 607 -2.940 -17.518 -4.236 1.00 0.00 N ATOM 876 CA ASN B 607 -1.723 -18.139 -4.784 1.00 0.00 C ATOM 877 C ASN B 607 -1.154 -17.318 -5.947 1.00 0.00 C ATOM 878 O ASN B 607 0.051 -17.076 -6.012 1.00 0.00 O ATOM 879 CB ASN B 607 -1.989 -19.588 -5.225 1.00 0.00 C ATOM 880 CG ASN B 607 -0.737 -20.300 -5.706 1.00 0.00 C ATOM 881 OD1 ASN B 607 -0.027 -20.927 -4.921 1.00 0.00 O ATOM 882 ND2 ASN B 607 -0.465 -20.221 -6.998 1.00 0.00 N ATOM 0 H ASN B 607 -2.795 -17.053 -3.340 1.00 0.00 H new ATOM 0 HA ASN B 607 -0.979 -18.157 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -2.418 -20.143 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -2.731 -19.589 -6.024 1.00 0.00 H new ATOM 0 HD21 ASN B 607 0.358 -20.690 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -1.079 -19.691 -7.617 1.00 0.00 H new ATOM 889 N ASP B 608 -2.026 -16.904 -6.866 1.00 0.00 N ATOM 890 CA ASP B 608 -1.636 -16.045 -7.987 1.00 0.00 C ATOM 891 C ASP B 608 -1.246 -14.664 -7.480 1.00 0.00 C ATOM 892 O ASP B 608 -0.441 -13.957 -8.089 1.00 0.00 O ATOM 893 CB ASP B 608 -2.782 -15.923 -8.996 1.00 0.00 C ATOM 894 CG ASP B 608 -3.179 -17.257 -9.586 1.00 0.00 C ATOM 895 OD1 ASP B 608 -4.054 -17.933 -9.005 1.00 0.00 O ATOM 896 OD2 ASP B 608 -2.614 -17.642 -10.631 1.00 0.00 O1- ATOM 0 H ASP B 608 -3.015 -17.151 -6.856 1.00 0.00 H new ATOM 0 HA ASP B 608 -0.778 -16.498 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -3.646 -15.474 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -2.485 -15.248 -9.799 1.00 0.00 H new ATOM 901 N LEU B 609 -1.849 -14.267 -6.377 1.00 0.00 N ATOM 902 CA LEU B 609 -1.444 -13.068 -5.688 1.00 0.00 C ATOM 903 C LEU B 609 -0.443 -13.418 -4.603 1.00 0.00 C ATOM 904 O LEU B 609 -0.611 -14.410 -3.895 1.00 0.00 O ATOM 905 CB LEU B 609 -2.653 -12.367 -5.086 1.00 0.00 C ATOM 906 CG LEU B 609 -3.651 -11.806 -6.096 1.00 0.00 C ATOM 907 CD1 LEU B 609 -2.939 -11.259 -7.313 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.675 -12.845 -6.497 1.00 0.00 C ATOM 0 H LEU B 609 -2.625 -14.764 -5.940 1.00 0.00 H new ATOM 0 HA LEU B 609 -0.975 -12.390 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.174 -13.070 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.302 -11.551 -4.455 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.181 -10.986 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -3.672 -10.865 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.262 -10.460 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.369 -12.056 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.370 -12.412 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.170 -13.699 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.224 -13.174 -5.615 1.00 0.00 H new ATOM 920 N LYS B 610 0.604 -12.625 -4.481 1.00 0.00 N ATOM 921 CA LYS B 610 1.634 -12.895 -3.494 1.00 0.00 C ATOM 922 C LYS B 610 2.025 -11.626 -2.756 1.00 0.00 C ATOM 923 O LYS B 610 2.218 -10.572 -3.366 1.00 0.00 O ATOM 924 CB LYS B 610 2.866 -13.511 -4.161 1.00 0.00 C ATOM 925 CG LYS B 610 2.598 -14.858 -4.820 1.00 0.00 C ATOM 926 CD LYS B 610 3.851 -15.426 -5.468 1.00 0.00 C ATOM 927 CE LYS B 610 4.363 -14.527 -6.581 1.00 0.00 C ATOM 928 NZ LYS B 610 5.624 -15.038 -7.171 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.764 -11.793 -5.049 1.00 0.00 H new ATOM 0 HA LYS B 610 1.229 -13.604 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.246 -12.818 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.650 -13.632 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.224 -15.560 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS B 610 1.818 -14.746 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.628 -15.549 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS B 610 3.637 -16.416 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.605 -14.446 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.526 -13.523 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 5.939 -14.396 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 6.356 -15.091 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 5.463 -15.986 -7.567 1.00 0.00 H new ATOM 942 N ILE B 611 2.118 -11.741 -1.439 1.00 0.00 N ATOM 943 CA ILE B 611 2.585 -10.657 -0.590 1.00 0.00 C ATOM 944 C ILE B 611 4.109 -10.629 -0.604 1.00 0.00 C ATOM 945 O ILE B 611 4.758 -11.666 -0.759 1.00 0.00 O ATOM 946 CB ILE B 611 2.108 -10.855 0.867 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.578 -10.920 0.941 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.628 -9.757 1.773 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.118 -9.569 1.021 1.00 0.00 C ATOM 0 H ILE B 611 1.871 -12.590 -0.930 1.00 0.00 H new ATOM 0 HA ILE B 611 2.180 -9.720 -0.973 1.00 0.00 H new ATOM 0 HB ILE B 611 2.514 -11.805 1.215 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.209 -11.451 0.064 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.296 -11.510 1.813 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.274 -9.926 2.790 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.718 -9.762 1.762 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.266 -8.792 1.419 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.197 -9.718 1.070 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.216 -9.040 1.914 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.128 -8.980 0.137 1.00 0.00 H new ATOM 961 N ASP B 612 4.676 -9.453 -0.459 1.00 0.00 N ATOM 962 CA ASP B 612 6.122 -9.323 -0.344 1.00 0.00 C ATOM 963 C ASP B 612 6.480 -8.558 0.918 1.00 0.00 C ATOM 964 O ASP B 612 5.613 -7.965 1.561 1.00 0.00 O ATOM 965 CB ASP B 612 6.722 -8.616 -1.560 1.00 0.00 C ATOM 966 CG ASP B 612 8.106 -9.131 -1.903 1.00 0.00 C ATOM 967 OD1 ASP B 612 9.015 -9.036 -1.052 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.284 -9.645 -3.028 1.00 0.00 O1- ATOM 0 H ASP B 612 4.165 -8.571 -0.417 1.00 0.00 H new ATOM 0 HA ASP B 612 6.540 -10.328 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.064 -8.753 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.774 -7.545 -1.365 1.00 0.00 H new ATOM 973 N SER B 613 7.752 -8.576 1.267 1.00 0.00 N ATOM 974 CA SER B 613 8.231 -7.898 2.454 1.00 0.00 C ATOM 975 C SER B 613 9.442 -7.037 2.109 1.00 0.00 C ATOM 976 O SER B 613 10.538 -7.544 1.864 1.00 0.00 O ATOM 977 CB SER B 613 8.587 -8.922 3.532 1.00 0.00 C ATOM 978 OG SER B 613 7.534 -9.861 3.705 1.00 0.00 O ATOM 0 H SER B 613 8.478 -9.059 0.738 1.00 0.00 H new ATOM 0 HA SER B 613 7.444 -7.250 2.839 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.503 -9.444 3.256 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.783 -8.411 4.475 1.00 0.00 H new ATOM 0 HG SER B 613 7.783 -10.508 4.398 1.00 0.00 H new ATOM 984 N SER B 614 9.231 -5.730 2.067 1.00 0.00 N ATOM 985 CA SER B 614 10.288 -4.795 1.725 1.00 0.00 C ATOM 986 C SER B 614 10.419 -3.713 2.800 1.00 0.00 C ATOM 987 O SER B 614 9.582 -2.819 2.893 1.00 0.00 O ATOM 988 CB SER B 614 9.978 -4.167 0.370 1.00 0.00 C ATOM 989 OG SER B 614 9.637 -5.167 -0.576 1.00 0.00 O ATOM 0 H SER B 614 8.331 -5.293 2.267 1.00 0.00 H new ATOM 0 HA SER B 614 11.237 -5.328 1.670 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.156 -3.458 0.471 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.842 -3.604 0.017 1.00 0.00 H new ATOM 0 HG SER B 614 8.670 -5.322 -0.554 1.00 0.00 H new ATOM 995 N THR B 615 11.461 -3.802 3.616 1.00 0.00 N ATOM 996 CA THR B 615 11.644 -2.868 4.721 1.00 0.00 C ATOM 997 C THR B 615 12.261 -1.562 4.251 1.00 0.00 C ATOM 998 O THR B 615 13.425 -1.529 3.860 1.00 0.00 O ATOM 999 CB THR B 615 12.533 -3.471 5.826 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.995 -4.733 6.242 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.630 -2.529 7.023 1.00 0.00 C ATOM 0 H THR B 615 12.191 -4.509 3.535 1.00 0.00 H new ATOM 0 HA THR B 615 10.652 -2.669 5.126 1.00 0.00 H new ATOM 0 HB THR B 615 13.535 -3.616 5.423 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.563 -5.115 6.943 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.263 -2.978 7.789 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.062 -1.580 6.705 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.634 -2.355 7.431 1.00 0.00 H new ATOM 1009 N VAL B 616 11.477 -0.488 4.267 1.00 0.00 N ATOM 1010 CA VAL B 616 12.007 0.828 3.973 1.00 0.00 C ATOM 1011 C VAL B 616 13.139 1.178 4.929 1.00 0.00 C ATOM 1012 O VAL B 616 12.944 1.319 6.136 1.00 0.00 O ATOM 1013 CB VAL B 616 10.915 1.916 4.002 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.946 1.707 5.146 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.546 3.296 4.087 1.00 0.00 C ATOM 0 H VAL B 616 10.480 -0.508 4.480 1.00 0.00 H new ATOM 0 HA VAL B 616 12.402 0.795 2.958 1.00 0.00 H new ATOM 0 HB VAL B 616 10.349 1.841 3.074 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.192 2.494 5.132 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.460 0.737 5.039 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.487 1.739 6.092 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.763 4.054 4.107 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.143 3.368 4.996 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.186 3.458 3.219 1.00 0.00 H new ATOM 1025 N GLU B 617 14.330 1.273 4.370 1.00 0.00 N ATOM 1026 CA GLU B 617 15.523 1.582 5.124 1.00 0.00 C ATOM 1027 C GLU B 617 15.788 3.079 5.132 1.00 0.00 C ATOM 1028 O GLU B 617 16.490 3.584 6.006 1.00 0.00 O ATOM 1029 CB GLU B 617 16.704 0.849 4.509 1.00 0.00 C ATOM 1030 CG GLU B 617 16.578 -0.660 4.569 1.00 0.00 C ATOM 1031 CD GLU B 617 17.085 -1.234 5.878 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.333 -1.212 6.876 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.245 -1.698 5.915 1.00 0.00 O1- ATOM 0 H GLU B 617 14.495 1.136 3.373 1.00 0.00 H new ATOM 0 HA GLU B 617 15.382 1.259 6.155 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.809 1.156 3.468 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.616 1.150 5.024 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.533 -0.940 4.434 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.135 -1.101 3.743 1.00 0.00 H new ATOM 1040 N ARG B 618 15.219 3.790 4.164 1.00 0.00 N ATOM 1041 CA ARG B 618 15.514 5.204 4.007 1.00 0.00 C ATOM 1042 C ARG B 618 14.429 5.898 3.192 1.00 0.00 C ATOM 1043 O ARG B 618 13.833 5.299 2.298 1.00 0.00 O ATOM 1044 CB ARG B 618 16.877 5.360 3.330 1.00 0.00 C ATOM 1045 CG ARG B 618 17.347 6.798 3.179 1.00 0.00 C ATOM 1046 CD ARG B 618 18.712 6.864 2.513 1.00 0.00 C ATOM 1047 NE ARG B 618 19.735 6.152 3.283 1.00 0.00 N ATOM 1048 CZ ARG B 618 21.008 6.030 2.904 1.00 0.00 C ATOM 1049 NH1 ARG B 618 21.421 6.555 1.757 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.869 5.381 3.678 1.00 0.00 N ATOM 0 H ARG B 618 14.558 3.413 3.485 1.00 0.00 H new ATOM 0 HA ARG B 618 15.541 5.674 4.990 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.619 4.807 3.906 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.832 4.900 2.343 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.624 7.359 2.588 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.394 7.273 4.159 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.648 6.436 1.513 1.00 0.00 H new ATOM 0 HD3 ARG B 618 19.008 7.907 2.395 1.00 0.00 H new ATOM 0 HE ARG B 618 19.456 5.722 4.165 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.763 7.056 1.159 1.00 0.00 H new ATOM 0 HH12 ARG B 618 22.396 6.458 1.473 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.557 4.977 4.561 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.843 5.287 3.390 1.00 0.00 H new ATOM 1064 N ILE B 619 14.169 7.153 3.520 1.00 0.00 N ATOM 1065 CA ILE B 619 13.185 7.953 2.810 1.00 0.00 C ATOM 1066 C ILE B 619 13.788 9.288 2.401 1.00 0.00 C ATOM 1067 O ILE B 619 14.406 9.978 3.215 1.00 0.00 O ATOM 1068 CB ILE B 619 11.924 8.187 3.670 1.00 0.00 C ATOM 1069 CG1 ILE B 619 11.163 6.874 3.835 1.00 0.00 C ATOM 1070 CG2 ILE B 619 11.026 9.255 3.048 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.993 6.967 4.787 1.00 0.00 C ATOM 0 H ILE B 619 14.633 7.645 4.284 1.00 0.00 H new ATOM 0 HA ILE B 619 12.890 7.402 1.917 1.00 0.00 H new ATOM 0 HB ILE B 619 12.233 8.546 4.652 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.802 6.548 2.860 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.851 6.108 4.192 1.00 0.00 H new ATOM 0 HG21 ILE B 619 10.146 9.400 3.674 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.575 10.193 2.972 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.715 8.935 2.053 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.500 5.997 4.854 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.350 7.262 5.774 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.284 7.709 4.421 1.00 0.00 H new ATOM 1083 N GLU B 620 13.619 9.638 1.135 1.00 0.00 N ATOM 1084 CA GLU B 620 14.158 10.881 0.606 1.00 0.00 C ATOM 1085 C GLU B 620 13.072 11.645 -0.134 1.00 0.00 C ATOM 1086 O GLU B 620 12.179 11.043 -0.732 1.00 0.00 O ATOM 1087 CB GLU B 620 15.310 10.603 -0.359 1.00 0.00 C ATOM 1088 CG GLU B 620 16.283 9.547 0.127 1.00 0.00 C ATOM 1089 CD GLU B 620 17.461 9.377 -0.805 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.276 8.855 -1.925 1.00 0.00 O ATOM 1091 OE2 GLU B 620 18.586 9.759 -0.421 1.00 0.00 O1- ATOM 0 H GLU B 620 13.111 9.076 0.453 1.00 0.00 H new ATOM 0 HA GLU B 620 14.526 11.474 1.444 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.899 10.289 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.855 11.531 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.644 9.818 1.119 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.762 8.595 0.227 1.00 0.00 H new ATOM 1098 N ASP B 621 13.140 12.964 -0.095 1.00 0.00 N ATOM 1099 CA ASP B 621 12.222 13.779 -0.871 1.00 0.00 C ATOM 1100 C ASP B 621 12.828 14.031 -2.244 1.00 0.00 C ATOM 1101 O ASP B 621 14.033 14.255 -2.375 1.00 0.00 O ATOM 1102 CB ASP B 621 11.896 15.103 -0.163 1.00 0.00 C ATOM 1103 CG ASP B 621 13.016 16.120 -0.240 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.952 16.047 0.586 1.00 0.00 O ATOM 1105 OD2 ASP B 621 12.952 17.007 -1.118 1.00 0.00 O1- ATOM 0 H ASP B 621 13.815 13.490 0.460 1.00 0.00 H new ATOM 0 HA ASP B 621 11.280 13.242 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.996 15.531 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.671 14.900 0.884 1.00 0.00 H new ATOM 1110 N SER B 622 12.001 13.967 -3.270 1.00 0.00 N ATOM 1111 CA SER B 622 12.478 14.058 -4.634 1.00 0.00 C ATOM 1112 C SER B 622 12.441 15.492 -5.158 1.00 0.00 C ATOM 1113 O SER B 622 12.723 15.735 -6.331 1.00 0.00 O ATOM 1114 CB SER B 622 11.644 13.131 -5.513 1.00 0.00 C ATOM 1115 OG SER B 622 12.315 11.903 -5.741 1.00 0.00 O ATOM 0 H SER B 622 10.991 13.852 -3.182 1.00 0.00 H new ATOM 0 HA SER B 622 13.522 13.747 -4.660 1.00 0.00 H new ATOM 0 HB2 SER B 622 10.683 12.940 -5.036 1.00 0.00 H new ATOM 0 HB3 SER B 622 11.436 13.618 -6.466 1.00 0.00 H new ATOM 0 HG SER B 622 12.420 11.762 -6.705 1.00 0.00 H new ATOM 1121 N HIS B 623 12.106 16.436 -4.274 1.00 0.00 N ATOM 1122 CA HIS B 623 12.018 17.857 -4.630 1.00 0.00 C ATOM 1123 C HIS B 623 11.029 18.075 -5.769 1.00 0.00 C ATOM 1124 O HIS B 623 11.150 19.020 -6.548 1.00 0.00 O ATOM 1125 CB HIS B 623 13.391 18.422 -5.011 1.00 0.00 C ATOM 1126 CG HIS B 623 14.346 18.525 -3.861 1.00 0.00 C ATOM 1127 ND1 HIS B 623 14.627 19.711 -3.219 1.00 0.00 N ATOM 1128 CD2 HIS B 623 15.089 17.580 -3.241 1.00 0.00 C ATOM 1129 CE1 HIS B 623 15.500 19.489 -2.254 1.00 0.00 C ATOM 1130 NE2 HIS B 623 15.796 18.203 -2.247 1.00 0.00 N ATOM 0 H HIS B 623 11.889 16.240 -3.297 1.00 0.00 H new ATOM 0 HA HIS B 623 11.659 18.391 -3.750 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.832 17.789 -5.781 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.257 19.411 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS B 623 15.119 16.528 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS B 623 15.904 20.234 -1.584 1.00 0.00 H new ATOM 0 HE2 HIS B 623 16.445 17.747 -1.606 1.00 0.00 H new ATOM 1139 N SER B 624 10.059 17.188 -5.849 1.00 0.00 N ATOM 1140 CA SER B 624 9.010 17.260 -6.847 1.00 0.00 C ATOM 1141 C SER B 624 7.664 17.275 -6.137 1.00 0.00 C ATOM 1142 O SER B 624 7.542 16.709 -5.048 1.00 0.00 O ATOM 1143 CB SER B 624 9.115 16.062 -7.798 1.00 0.00 C ATOM 1144 OG SER B 624 10.391 16.005 -8.414 1.00 0.00 O ATOM 0 H SER B 624 9.975 16.390 -5.219 1.00 0.00 H new ATOM 0 HA SER B 624 9.112 18.169 -7.439 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.933 15.140 -7.246 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.342 16.133 -8.563 1.00 0.00 H new ATOM 0 HG SER B 624 11.079 15.875 -7.729 1.00 0.00 H new ATOM 1150 N PRO B 625 6.656 17.946 -6.724 1.00 0.00 N ATOM 1151 CA PRO B 625 5.334 18.100 -6.109 1.00 0.00 C ATOM 1152 C PRO B 625 4.770 16.803 -5.562 1.00 0.00 C ATOM 1153 O PRO B 625 4.362 15.912 -6.309 1.00 0.00 O ATOM 1154 CB PRO B 625 4.467 18.602 -7.252 1.00 0.00 C ATOM 1155 CG PRO B 625 5.403 19.309 -8.170 1.00 0.00 C ATOM 1156 CD PRO B 625 6.742 18.633 -8.026 1.00 0.00 C ATOM 0 HA PRO B 625 5.377 18.768 -5.249 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.967 17.777 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.688 19.273 -6.890 1.00 0.00 H new ATOM 0 HG2 PRO B 625 5.050 19.254 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.473 20.366 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.923 17.929 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.558 19.356 -8.043 1.00 0.00 H new ATOM 1164 N GLY B 626 4.731 16.745 -4.241 1.00 0.00 N ATOM 1165 CA GLY B 626 4.225 15.591 -3.538 1.00 0.00 C ATOM 1166 C GLY B 626 4.962 14.310 -3.872 1.00 0.00 C ATOM 1167 O GLY B 626 4.354 13.252 -3.890 1.00 0.00 O ATOM 0 H GLY B 626 5.050 17.498 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.292 15.771 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.168 15.465 -3.775 1.00 0.00 H new ATOM 1171 N VAL B 627 6.263 14.387 -4.131 1.00 0.00 N ATOM 1172 CA VAL B 627 7.028 13.191 -4.488 1.00 0.00 C ATOM 1173 C VAL B 627 8.084 12.860 -3.446 1.00 0.00 C ATOM 1174 O VAL B 627 8.883 13.714 -3.049 1.00 0.00 O ATOM 1175 CB VAL B 627 7.725 13.324 -5.859 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.337 11.995 -6.282 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.748 13.813 -6.907 1.00 0.00 C ATOM 0 H VAL B 627 6.806 15.250 -4.102 1.00 0.00 H new ATOM 0 HA VAL B 627 6.295 12.386 -4.537 1.00 0.00 H new ATOM 0 HB VAL B 627 8.526 14.057 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.823 12.110 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.073 11.681 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.553 11.241 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.257 13.901 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.925 13.104 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.357 14.787 -6.614 1.00 0.00 H new ATOM 1187 N ALA B 628 8.084 11.611 -3.015 1.00 0.00 N ATOM 1188 CA ALA B 628 9.105 11.100 -2.123 1.00 0.00 C ATOM 1189 C ALA B 628 9.509 9.707 -2.566 1.00 0.00 C ATOM 1190 O ALA B 628 8.661 8.895 -2.939 1.00 0.00 O ATOM 1191 CB ALA B 628 8.617 11.078 -0.681 1.00 0.00 C ATOM 0 H ALA B 628 7.376 10.924 -3.274 1.00 0.00 H new ATOM 0 HA ALA B 628 9.970 11.762 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.405 10.690 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.358 12.090 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.738 10.439 -0.604 1.00 0.00 H new ATOM 1197 N VAL B 629 10.796 9.442 -2.549 1.00 0.00 N ATOM 1198 CA VAL B 629 11.296 8.135 -2.915 1.00 0.00 C ATOM 1199 C VAL B 629 11.586 7.320 -1.672 1.00 0.00 C ATOM 1200 O VAL B 629 12.421 7.686 -0.837 1.00 0.00 O ATOM 1201 CB VAL B 629 12.540 8.224 -3.830 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.337 9.471 -3.515 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.413 6.977 -3.714 1.00 0.00 C ATOM 0 H VAL B 629 11.516 10.114 -2.286 1.00 0.00 H new ATOM 0 HA VAL B 629 10.520 7.630 -3.491 1.00 0.00 H new ATOM 0 HB VAL B 629 12.193 8.283 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.209 9.520 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.714 10.351 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.662 9.442 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.277 7.075 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.751 6.864 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.835 6.100 -4.004 1.00 0.00 H new ATOM 1213 N ILE B 630 10.855 6.235 -1.539 1.00 0.00 N ATOM 1214 CA ILE B 630 10.989 5.359 -0.406 1.00 0.00 C ATOM 1215 C ILE B 630 11.932 4.215 -0.764 1.00 0.00 C ATOM 1216 O ILE B 630 11.656 3.438 -1.678 1.00 0.00 O ATOM 1217 CB ILE B 630 9.621 4.794 0.015 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.535 5.872 -0.067 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.700 4.240 1.424 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.730 7.010 0.907 1.00 0.00 C ATOM 0 H ILE B 630 10.152 5.939 -2.216 1.00 0.00 H new ATOM 0 HA ILE B 630 11.396 5.927 0.431 1.00 0.00 H new ATOM 0 HB ILE B 630 9.356 3.990 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.511 6.273 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.564 5.411 0.117 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.727 3.842 1.714 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.443 3.444 1.461 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.986 5.035 2.112 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.922 7.732 0.789 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.724 6.622 1.926 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.685 7.498 0.710 1.00 0.00 H new ATOM 1232 N GLN B 631 13.055 4.135 -0.073 1.00 0.00 N ATOM 1233 CA GLN B 631 14.054 3.119 -0.363 1.00 0.00 C ATOM 1234 C GLN B 631 13.825 1.886 0.500 1.00 0.00 C ATOM 1235 O GLN B 631 14.039 1.916 1.714 1.00 0.00 O ATOM 1236 CB GLN B 631 15.456 3.686 -0.141 1.00 0.00 C ATOM 1237 CG GLN B 631 16.572 2.695 -0.420 1.00 0.00 C ATOM 1238 CD GLN B 631 17.937 3.356 -0.420 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.073 4.526 -0.775 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.955 2.614 -0.018 1.00 0.00 N ATOM 0 H GLN B 631 13.299 4.762 0.694 1.00 0.00 H new ATOM 0 HA GLN B 631 13.963 2.821 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.590 4.558 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.539 4.031 0.890 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.552 1.906 0.332 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.400 2.219 -1.386 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.800 1.647 0.268 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.895 3.008 0.006 1.00 0.00 H new ATOM 1249 N PHE B 632 13.391 0.810 -0.141 1.00 0.00 N ATOM 1250 CA PHE B 632 13.041 -0.421 0.560 1.00 0.00 C ATOM 1251 C PHE B 632 14.088 -1.501 0.351 1.00 0.00 C ATOM 1252 O PHE B 632 14.691 -1.595 -0.711 1.00 0.00 O ATOM 1253 CB PHE B 632 11.701 -0.975 0.067 1.00 0.00 C ATOM 1254 CG PHE B 632 10.501 -0.096 0.285 1.00 0.00 C ATOM 1255 CD1 PHE B 632 9.770 -0.180 1.456 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.075 0.777 -0.700 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.643 0.594 1.646 1.00 0.00 C ATOM 1258 CE2 PHE B 632 8.944 1.548 -0.522 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.227 1.457 0.654 1.00 0.00 C ATOM 0 H PHE B 632 13.272 0.763 -1.153 1.00 0.00 H new ATOM 0 HA PHE B 632 12.980 -0.163 1.617 1.00 0.00 H new ATOM 0 HB2 PHE B 632 11.786 -1.180 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.521 -1.929 0.562 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.085 -0.861 2.233 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.635 0.856 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.088 0.524 2.570 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.621 2.222 -1.302 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.343 2.060 0.797 1.00 0.00 H new ATOM 1269 N ALA B 633 14.297 -2.302 1.379 1.00 0.00 N ATOM 1270 CA ALA B 633 15.076 -3.519 1.268 1.00 0.00 C ATOM 1271 C ALA B 633 14.140 -4.687 0.987 1.00 0.00 C ATOM 1272 O ALA B 633 13.467 -5.191 1.890 1.00 0.00 O ATOM 1273 CB ALA B 633 15.857 -3.752 2.545 1.00 0.00 C ATOM 0 H ALA B 633 13.931 -2.126 2.315 1.00 0.00 H new ATOM 0 HA ALA B 633 15.787 -3.429 0.447 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.440 -4.669 2.453 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.528 -2.911 2.719 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.166 -3.844 3.383 1.00 0.00 H new ATOM 1279 N VAL B 634 14.090 -5.097 -0.268 1.00 0.00 N ATOM 1280 CA VAL B 634 13.129 -6.087 -0.723 1.00 0.00 C ATOM 1281 C VAL B 634 13.623 -7.512 -0.511 1.00 0.00 C ATOM 1282 O VAL B 634 14.742 -7.864 -0.900 1.00 0.00 O ATOM 1283 CB VAL B 634 12.811 -5.893 -2.220 1.00 0.00 C ATOM 1284 CG1 VAL B 634 11.772 -6.900 -2.696 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.340 -4.473 -2.482 1.00 0.00 C ATOM 0 H VAL B 634 14.713 -4.754 -0.999 1.00 0.00 H new ATOM 0 HA VAL B 634 12.230 -5.939 -0.125 1.00 0.00 H new ATOM 0 HB VAL B 634 13.727 -6.065 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL B 634 11.568 -6.739 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.151 -7.911 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL B 634 10.852 -6.771 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.120 -4.353 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.440 -4.275 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.122 -3.771 -2.192 1.00 0.00 H new ATOM 1295 N GLY B 635 12.783 -8.319 0.123 1.00 0.00 N ATOM 1296 CA GLY B 635 13.011 -9.744 0.172 1.00 0.00 C ATOM 1297 C GLY B 635 13.986 -10.176 1.244 1.00 0.00 C ATOM 1298 O GLY B 635 14.329 -9.408 2.146 1.00 0.00 O ATOM 0 H GLY B 635 11.942 -8.006 0.607 1.00 0.00 H new ATOM 0 HA2 GLY B 635 12.059 -10.248 0.337 1.00 0.00 H new ATOM 0 HA3 GLY B 635 13.383 -10.075 -0.798 1.00 0.00 H new ATOM 1302 N GLU B 636 14.435 -11.417 1.123 1.00 0.00 N ATOM 1303 CA GLU B 636 15.302 -12.048 2.091 1.00 0.00 C ATOM 1304 C GLU B 636 16.698 -11.435 2.078 1.00 0.00 C ATOM 1305 O GLU B 636 17.336 -11.291 3.122 1.00 0.00 O ATOM 1306 CB GLU B 636 15.371 -13.531 1.759 1.00 0.00 C ATOM 1307 CG GLU B 636 16.290 -14.320 2.655 1.00 0.00 C ATOM 1308 CD GLU B 636 16.377 -15.774 2.249 1.00 0.00 C ATOM 1309 OE1 GLU B 636 15.453 -16.546 2.584 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 17.358 -16.150 1.581 1.00 0.00 O ATOM 0 H GLU B 636 14.199 -12.019 0.334 1.00 0.00 H new ATOM 0 HA GLU B 636 14.899 -11.896 3.092 1.00 0.00 H new ATOM 0 HB2 GLU B 636 14.368 -13.954 1.822 1.00 0.00 H new ATOM 0 HB3 GLU B 636 15.701 -13.646 0.726 1.00 0.00 H new ATOM 0 HG2 GLU B 636 17.286 -13.878 2.630 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.937 -14.253 3.684 1.00 0.00 H new ATOM 1317 N HIS B 637 17.162 -11.060 0.897 1.00 0.00 N ATOM 1318 CA HIS B 637 18.518 -10.547 0.743 1.00 0.00 C ATOM 1319 C HIS B 637 18.551 -9.037 0.921 1.00 0.00 C ATOM 1320 O HIS B 637 19.591 -8.399 0.755 1.00 0.00 O ATOM 1321 CB HIS B 637 19.092 -10.930 -0.624 1.00 0.00 C ATOM 1322 CG HIS B 637 19.169 -12.408 -0.842 1.00 0.00 C ATOM 1323 ND1 HIS B 637 18.372 -13.079 -1.741 1.00 0.00 N ATOM 1324 CD2 HIS B 637 19.949 -13.348 -0.261 1.00 0.00 C ATOM 1325 CE1 HIS B 637 18.654 -14.367 -1.701 1.00 0.00 C ATOM 1326 NE2 HIS B 637 19.609 -14.556 -0.811 1.00 0.00 N ATOM 0 H HIS B 637 16.623 -11.100 0.032 1.00 0.00 H new ATOM 0 HA HIS B 637 19.136 -11.000 1.519 1.00 0.00 H new ATOM 0 HB2 HIS B 637 18.476 -10.486 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS B 637 20.090 -10.503 -0.724 1.00 0.00 H new ATOM 0 HD2 HIS B 637 20.700 -13.178 0.496 1.00 0.00 H new ATOM 0 HE1 HIS B 637 18.183 -15.136 -2.296 1.00 0.00 H new ATOM 0 HE2 HIS B 637 20.027 -15.455 -0.571 1.00 0.00 H new ATOM 1335 N ARG B 638 17.385 -8.482 1.263 1.00 0.00 N ATOM 1336 CA ARG B 638 17.231 -7.054 1.517 1.00 0.00 C ATOM 1337 C ARG B 638 17.717 -6.220 0.337 1.00 0.00 C ATOM 1338 O ARG B 638 18.468 -5.260 0.516 1.00 0.00 O ATOM 1339 CB ARG B 638 17.984 -6.645 2.786 1.00 0.00 C ATOM 1340 CG ARG B 638 17.323 -7.094 4.079 1.00 0.00 C ATOM 1341 CD ARG B 638 18.042 -6.506 5.280 1.00 0.00 C ATOM 1342 NE ARG B 638 17.387 -6.831 6.545 1.00 0.00 N ATOM 1343 CZ ARG B 638 17.642 -6.205 7.694 1.00 0.00 C ATOM 1344 NH1 ARG B 638 18.512 -5.201 7.732 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 17.017 -6.576 8.804 1.00 0.00 N ATOM 0 H ARG B 638 16.522 -9.015 1.371 1.00 0.00 H new ATOM 0 HA ARG B 638 16.167 -6.863 1.656 1.00 0.00 H new ATOM 0 HB2 ARG B 638 18.992 -7.058 2.745 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.084 -5.560 2.801 1.00 0.00 H new ATOM 0 HG2 ARG B 638 16.278 -6.784 4.086 1.00 0.00 H new ATOM 0 HG3 ARG B 638 17.333 -8.182 4.140 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.067 -6.876 5.301 1.00 0.00 H new ATOM 0 HD3 ARG B 638 18.096 -5.423 5.171 1.00 0.00 H new ATOM 0 HE ARG B 638 16.695 -7.580 6.549 1.00 0.00 H new ATOM 0 HH11 ARG B 638 18.988 -4.906 6.879 1.00 0.00 H new ATOM 0 HH12 ARG B 638 18.704 -4.725 8.614 1.00 0.00 H new ATOM 0 HH21 ARG B 638 16.342 -7.340 8.778 1.00 0.00 H new ATOM 0 HH22 ARG B 638 17.212 -6.097 9.683 1.00 0.00 H new ATOM 1359 N ALA B 639 17.274 -6.580 -0.861 1.00 0.00 N ATOM 1360 CA ALA B 639 17.671 -5.864 -2.063 1.00 0.00 C ATOM 1361 C ALA B 639 17.040 -4.485 -2.076 1.00 0.00 C ATOM 1362 O ALA B 639 15.822 -4.350 -2.171 1.00 0.00 O ATOM 1363 CB ALA B 639 17.282 -6.636 -3.310 1.00 0.00 C ATOM 0 H ALA B 639 16.641 -7.363 -1.024 1.00 0.00 H new ATOM 0 HA ALA B 639 18.756 -5.759 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA B 639 17.590 -6.078 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA B 639 17.774 -7.608 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.201 -6.777 -3.328 1.00 0.00 H new ATOM 1369 N GLN B 640 17.867 -3.468 -1.977 1.00 0.00 N ATOM 1370 CA GLN B 640 17.370 -2.118 -1.799 1.00 0.00 C ATOM 1371 C GLN B 640 16.951 -1.491 -3.112 1.00 0.00 C ATOM 1372 O GLN B 640 17.710 -1.459 -4.083 1.00 0.00 O ATOM 1373 CB GLN B 640 18.395 -1.249 -1.087 1.00 0.00 C ATOM 1374 CG GLN B 640 18.666 -1.719 0.328 1.00 0.00 C ATOM 1375 CD GLN B 640 19.483 -0.732 1.122 1.00 0.00 C ATOM 1376 OE1 GLN B 640 18.805 0.122 1.866 1.00 0.00 O flip ATOM 1377 NE2 GLN B 640 20.713 -0.757 1.092 1.00 0.00 N flip ATOM 0 H GLN B 640 18.883 -3.547 -2.016 1.00 0.00 H new ATOM 0 HA GLN B 640 16.481 -2.183 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.327 -1.253 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.040 -0.219 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN B 640 17.718 -1.892 0.837 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.189 -2.675 0.295 1.00 0.00 H new ATOM 0 HE21 GLN B 640 21.195 -1.435 0.502 1.00 0.00 H new ATOM 0 HE22 GLN B 640 21.250 -0.100 1.657 1.00 0.00 H new ATOM 1386 N VAL B 641 15.727 -1.004 -3.120 1.00 0.00 N ATOM 1387 CA VAL B 641 15.139 -0.374 -4.286 1.00 0.00 C ATOM 1388 C VAL B 641 14.625 1.011 -3.925 1.00 0.00 C ATOM 1389 O VAL B 641 13.877 1.171 -2.959 1.00 0.00 O ATOM 1390 CB VAL B 641 13.976 -1.220 -4.852 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.331 -0.526 -6.041 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.460 -2.609 -5.243 1.00 0.00 C ATOM 0 H VAL B 641 15.107 -1.034 -2.311 1.00 0.00 H new ATOM 0 HA VAL B 641 15.913 -0.294 -5.049 1.00 0.00 H new ATOM 0 HB VAL B 641 13.224 -1.326 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.515 -1.140 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.941 0.443 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.074 -0.382 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.625 -3.187 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.235 -2.523 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.867 -3.113 -4.366 1.00 0.00 H new ATOM 1402 N SER B 642 15.051 2.007 -4.678 1.00 0.00 N ATOM 1403 CA SER B 642 14.597 3.367 -4.473 1.00 0.00 C ATOM 1404 C SER B 642 13.469 3.692 -5.449 1.00 0.00 C ATOM 1405 O SER B 642 13.692 3.812 -6.655 1.00 0.00 O ATOM 1406 CB SER B 642 15.773 4.329 -4.648 1.00 0.00 C ATOM 1407 OG SER B 642 16.552 3.969 -5.778 1.00 0.00 O ATOM 0 H SER B 642 15.716 1.897 -5.443 1.00 0.00 H new ATOM 0 HA SER B 642 14.209 3.477 -3.461 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.402 5.347 -4.765 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.395 4.318 -3.753 1.00 0.00 H new ATOM 0 HG SER B 642 15.960 3.751 -6.528 1.00 0.00 H new ATOM 1413 N VAL B 643 12.254 3.804 -4.937 1.00 0.00 N ATOM 1414 CA VAL B 643 11.111 4.051 -5.782 1.00 0.00 C ATOM 1415 C VAL B 643 10.505 5.429 -5.504 1.00 0.00 C ATOM 1416 O VAL B 643 10.141 5.747 -4.371 1.00 0.00 O ATOM 1417 CB VAL B 643 10.056 2.936 -5.599 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.632 2.800 -4.144 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.856 3.183 -6.485 1.00 0.00 C ATOM 0 H VAL B 643 12.040 3.727 -3.943 1.00 0.00 H new ATOM 0 HA VAL B 643 11.446 4.042 -6.819 1.00 0.00 H new ATOM 0 HB VAL B 643 10.518 1.995 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL B 643 8.890 2.007 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.501 2.555 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.201 3.741 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.126 2.386 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.404 4.141 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.171 3.201 -7.528 1.00 0.00 H new ATOM 1429 N GLU B 644 10.429 6.250 -6.545 1.00 0.00 N ATOM 1430 CA GLU B 644 9.832 7.575 -6.442 1.00 0.00 C ATOM 1431 C GLU B 644 8.321 7.479 -6.608 1.00 0.00 C ATOM 1432 O GLU B 644 7.832 7.039 -7.652 1.00 0.00 O ATOM 1433 CB GLU B 644 10.401 8.514 -7.511 1.00 0.00 C ATOM 1434 CG GLU B 644 11.867 8.858 -7.315 1.00 0.00 C ATOM 1435 CD GLU B 644 12.401 9.766 -8.400 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.317 11.004 -8.239 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 12.910 9.251 -9.417 1.00 0.00 O ATOM 0 H GLU B 644 10.776 6.019 -7.476 1.00 0.00 H new ATOM 0 HA GLU B 644 10.069 7.979 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.275 8.052 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.820 9.436 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.997 9.340 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.453 7.939 -7.295 1.00 0.00 H new ATOM 1444 N VAL B 645 7.587 7.869 -5.580 1.00 0.00 N ATOM 1445 CA VAL B 645 6.132 7.851 -5.623 1.00 0.00 C ATOM 1446 C VAL B 645 5.574 9.147 -5.058 1.00 0.00 C ATOM 1447 O VAL B 645 6.279 9.879 -4.360 1.00 0.00 O ATOM 1448 CB VAL B 645 5.546 6.663 -4.820 1.00 0.00 C ATOM 1449 CG1 VAL B 645 5.895 5.338 -5.478 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.039 6.688 -3.379 1.00 0.00 C ATOM 0 H VAL B 645 7.977 8.204 -4.699 1.00 0.00 H new ATOM 0 HA VAL B 645 5.843 7.740 -6.668 1.00 0.00 H new ATOM 0 HB VAL B 645 4.461 6.766 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL B 645 5.472 4.520 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL B 645 5.485 5.314 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL B 645 6.979 5.229 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.614 5.845 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL B 645 7.127 6.618 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL B 645 5.729 7.619 -2.905 1.00 0.00 H new ATOM 1460 N LEU B 646 4.321 9.443 -5.371 1.00 0.00 N ATOM 1461 CA LEU B 646 3.662 10.583 -4.763 1.00 0.00 C ATOM 1462 C LEU B 646 3.347 10.258 -3.312 1.00 0.00 C ATOM 1463 O LEU B 646 3.017 9.121 -2.977 1.00 0.00 O ATOM 1464 CB LEU B 646 2.376 10.979 -5.495 1.00 0.00 C ATOM 1465 CG LEU B 646 2.559 11.529 -6.911 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.448 12.510 -7.251 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.904 12.201 -7.065 1.00 0.00 C ATOM 0 H LEU B 646 3.750 8.917 -6.032 1.00 0.00 H new ATOM 0 HA LEU B 646 4.341 11.433 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.726 10.106 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.857 11.729 -4.898 1.00 0.00 H new ATOM 0 HG LEU B 646 2.513 10.688 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.595 12.890 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.485 12.004 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.467 13.340 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.006 12.582 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.981 13.027 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.696 11.479 -6.867 1.00 0.00 H new ATOM 1479 N VAL B 647 3.453 11.257 -2.456 1.00 0.00 N ATOM 1480 CA VAL B 647 3.267 11.070 -1.026 1.00 0.00 C ATOM 1481 C VAL B 647 1.810 10.767 -0.681 1.00 0.00 C ATOM 1482 O VAL B 647 1.490 10.452 0.459 1.00 0.00 O ATOM 1483 CB VAL B 647 3.742 12.301 -0.229 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.210 12.585 -0.502 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.888 13.520 -0.544 1.00 0.00 C ATOM 0 H VAL B 647 3.669 12.216 -2.728 1.00 0.00 H new ATOM 0 HA VAL B 647 3.877 10.212 -0.743 1.00 0.00 H new ATOM 0 HB VAL B 647 3.629 12.078 0.832 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.524 13.458 0.070 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.808 11.723 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.352 12.778 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.246 14.373 0.032 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.956 13.747 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.850 13.315 -0.282 1.00 0.00 H new ATOM 1495 N GLU B 648 0.934 10.855 -1.671 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.472 10.539 -1.466 1.00 0.00 C ATOM 1497 C GLU B 648 -0.748 9.077 -1.801 1.00 0.00 C ATOM 1498 O GLU B 648 -1.889 8.617 -1.727 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.383 11.494 -2.262 1.00 0.00 C ATOM 1500 CG GLU B 648 -0.964 11.750 -3.707 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.417 10.672 -4.670 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -0.684 9.680 -4.851 1.00 0.00 O1- ATOM 1503 OE2 GLU B 648 -2.507 10.822 -5.262 1.00 0.00 O ATOM 0 H GLU B 648 1.171 11.141 -2.621 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.705 10.686 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.394 11.088 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.423 12.450 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -1.371 12.708 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU B 648 0.122 11.833 -3.752 1.00 0.00 H new ATOM 1510 N TYR B 649 0.310 8.350 -2.153 1.00 0.00 N ATOM 1511 CA TYR B 649 0.214 6.920 -2.406 1.00 0.00 C ATOM 1512 C TYR B 649 0.025 6.151 -1.107 1.00 0.00 C ATOM 1513 O TYR B 649 0.833 6.272 -0.180 1.00 0.00 O ATOM 1514 CB TYR B 649 1.469 6.404 -3.113 1.00 0.00 C ATOM 1515 CG TYR B 649 1.328 6.271 -4.610 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.662 5.185 -5.163 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.867 7.218 -5.470 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.537 5.047 -6.530 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.745 7.087 -6.840 1.00 0.00 C ATOM 1520 CZ TYR B 649 1.080 5.999 -7.365 1.00 0.00 C ATOM 1521 OH TYR B 649 0.953 5.864 -8.730 1.00 0.00 O ATOM 0 H TYR B 649 1.248 8.734 -2.269 1.00 0.00 H new ATOM 0 HA TYR B 649 -0.652 6.761 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR B 649 2.297 7.079 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.733 5.432 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.235 4.436 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR B 649 2.390 8.070 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR B 649 0.016 4.196 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR B 649 2.168 7.833 -7.496 1.00 0.00 H new ATOM 0 HH TYR B 649 1.390 6.620 -9.176 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.055 5.367 -1.015 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.287 4.484 0.118 1.00 0.00 C ATOM 1533 C PRO B 650 -0.449 3.214 0.011 1.00 0.00 C ATOM 1534 O PRO B 650 -0.296 2.655 -1.071 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.777 4.172 0.010 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.061 4.227 -1.449 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.149 5.286 -2.007 1.00 0.00 C ATOM 0 HA PRO B 650 -1.009 4.931 1.073 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -3.008 3.190 0.423 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.376 4.898 0.559 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -2.873 3.262 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.106 4.474 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -1.775 5.013 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.663 6.241 -2.114 1.00 0.00 H new ATOM 1545 N PHE B 651 0.097 2.773 1.129 1.00 0.00 N ATOM 1546 CA PHE B 651 0.954 1.600 1.156 1.00 0.00 C ATOM 1547 C PHE B 651 0.559 0.663 2.287 1.00 0.00 C ATOM 1548 O PHE B 651 0.646 1.012 3.468 1.00 0.00 O ATOM 1549 CB PHE B 651 2.428 1.999 1.309 1.00 0.00 C ATOM 1550 CG PHE B 651 3.085 2.421 0.026 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.072 3.746 -0.378 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.721 1.488 -0.776 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.681 4.129 -1.557 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.332 1.866 -1.955 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.311 3.188 -2.347 1.00 0.00 C ATOM 0 H PHE B 651 -0.039 3.214 2.039 1.00 0.00 H new ATOM 0 HA PHE B 651 0.826 1.080 0.206 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.500 2.816 2.027 1.00 0.00 H new ATOM 0 HB3 PHE B 651 2.980 1.157 1.728 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.581 4.487 0.235 1.00 0.00 H new ATOM 0 HD2 PHE B 651 3.739 0.451 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.664 5.165 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE B 651 4.826 1.128 -2.569 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.786 3.487 -3.270 1.00 0.00 H new ATOM 1565 N PHE B 652 0.108 -0.522 1.920 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.177 -1.549 2.899 1.00 0.00 C ATOM 1567 C PHE B 652 1.129 -2.090 3.446 1.00 0.00 C ATOM 1568 O PHE B 652 2.006 -2.495 2.684 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.003 -2.674 2.276 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.329 -2.854 2.943 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.411 -3.464 4.180 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.490 -2.398 2.345 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.626 -3.620 4.809 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.710 -2.547 2.972 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.778 -3.161 4.206 1.00 0.00 C ATOM 0 H PHE B 652 -0.068 -0.795 0.953 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.760 -1.118 3.713 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.159 -2.462 1.218 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.442 -3.607 2.335 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.512 -3.823 4.659 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.441 -1.921 1.378 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.677 -4.102 5.774 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.610 -2.184 2.498 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.732 -3.282 4.698 1.00 0.00 H new ATOM 1585 N VAL B 653 1.286 -2.068 4.757 1.00 0.00 N ATOM 1586 CA VAL B 653 2.535 -2.488 5.348 1.00 0.00 C ATOM 1587 C VAL B 653 2.372 -3.842 6.054 1.00 0.00 C ATOM 1588 O VAL B 653 1.459 -4.020 6.858 1.00 0.00 O ATOM 1589 CB VAL B 653 3.090 -1.431 6.324 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.594 -1.496 6.345 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.660 -0.023 5.949 1.00 0.00 C ATOM 0 H VAL B 653 0.573 -1.768 5.422 1.00 0.00 H new ATOM 0 HA VAL B 653 3.258 -2.600 4.540 1.00 0.00 H new ATOM 0 HB VAL B 653 2.684 -1.657 7.310 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.981 -0.747 7.036 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.911 -2.487 6.669 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.981 -1.301 5.345 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.075 0.687 6.665 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.024 0.215 4.950 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.572 0.041 5.963 1.00 0.00 H new ATOM 1601 N PHE B 654 3.313 -4.751 5.768 1.00 0.00 N ATOM 1602 CA PHE B 654 3.219 -6.193 6.084 1.00 0.00 C ATOM 1603 C PHE B 654 2.614 -6.518 7.459 1.00 0.00 C ATOM 1604 O PHE B 654 1.752 -7.391 7.570 1.00 0.00 O ATOM 1605 CB PHE B 654 4.611 -6.824 5.934 1.00 0.00 C ATOM 1606 CG PHE B 654 4.676 -8.281 6.306 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.109 -9.242 5.483 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.305 -8.688 7.472 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.167 -10.581 5.817 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.365 -10.027 7.810 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.796 -10.975 6.982 1.00 0.00 C ATOM 0 H PHE B 654 4.184 -4.504 5.299 1.00 0.00 H new ATOM 0 HA PHE B 654 2.515 -6.623 5.372 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.939 -6.710 4.901 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.316 -6.271 6.555 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.616 -8.940 4.570 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.753 -7.952 8.123 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.721 -11.320 5.168 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.857 -10.332 8.722 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.843 -12.021 7.245 1.00 0.00 H new ATOM 1621 N GLY B 655 3.068 -5.850 8.499 1.00 0.00 N ATOM 1622 CA GLY B 655 2.500 -6.062 9.818 1.00 0.00 C ATOM 1623 C GLY B 655 2.528 -4.789 10.619 1.00 0.00 C ATOM 1624 O GLY B 655 2.445 -4.796 11.846 1.00 0.00 O ATOM 0 H GLY B 655 3.820 -5.162 8.460 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.473 -6.417 9.725 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.059 -6.838 10.340 1.00 0.00 H new ATOM 1628 N GLN B 656 2.649 -3.689 9.901 1.00 0.00 N ATOM 1629 CA GLN B 656 2.914 -2.400 10.507 1.00 0.00 C ATOM 1630 C GLN B 656 1.645 -1.551 10.491 1.00 0.00 C ATOM 1631 O GLN B 656 1.452 -0.689 11.350 1.00 0.00 O ATOM 1632 CB GLN B 656 4.057 -1.688 9.759 1.00 0.00 C ATOM 1633 CG GLN B 656 5.416 -2.399 9.773 1.00 0.00 C ATOM 1634 CD GLN B 656 5.393 -3.816 9.225 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.368 -3.930 7.911 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.354 -4.787 9.971 1.00 0.00 N flip ATOM 0 H GLN B 656 2.567 -3.664 8.885 1.00 0.00 H new ATOM 0 HA GLN B 656 3.222 -2.546 11.542 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.753 -1.548 8.722 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.184 -0.695 10.191 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.126 -1.810 9.192 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.787 -2.425 10.798 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.376 -4.654 10.982 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.300 -5.728 9.581 1.00 0.00 H new ATOM 1645 N GLY B 657 0.780 -1.796 9.505 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.512 -1.134 9.480 1.00 0.00 C ATOM 1647 C GLY B 657 -0.957 -0.714 8.092 1.00 0.00 C ATOM 1648 O GLY B 657 -0.281 -0.987 7.097 1.00 0.00 O ATOM 0 H GLY B 657 0.951 -2.437 8.730 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.261 -1.803 9.905 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.471 -0.253 10.121 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.116 -0.066 8.040 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.665 0.481 6.804 1.00 0.00 C ATOM 1654 C TRP B 658 -2.183 1.925 6.661 1.00 0.00 C ATOM 1655 O TRP B 658 -2.773 2.850 7.226 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.201 0.401 6.855 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.937 0.824 5.608 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.261 1.149 5.549 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.436 0.961 4.260 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.618 1.475 4.270 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.523 1.371 3.460 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.188 0.783 3.645 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.402 1.602 2.095 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.076 1.013 2.286 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.176 1.418 1.528 1.00 0.00 C ATOM 0 H TRP B 658 -2.704 0.095 8.858 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.328 -0.089 5.938 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.482 -0.627 7.085 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.548 1.020 7.683 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.933 1.149 6.394 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.552 1.752 3.969 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.330 0.472 4.222 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.250 1.916 1.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.120 0.877 1.802 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.053 1.589 0.469 1.00 0.00 H new ATOM 1676 N SER B 659 -1.109 2.110 5.907 1.00 0.00 N ATOM 1677 CA SER B 659 -0.367 3.358 5.933 1.00 0.00 C ATOM 1678 C SER B 659 -0.267 3.999 4.553 1.00 0.00 C ATOM 1679 O SER B 659 -0.657 3.406 3.554 1.00 0.00 O ATOM 1680 CB SER B 659 1.036 3.084 6.483 1.00 0.00 C ATOM 1681 OG SER B 659 0.966 2.471 7.760 1.00 0.00 O ATOM 0 H SER B 659 -0.733 1.409 5.269 1.00 0.00 H new ATOM 0 HA SER B 659 -0.901 4.060 6.573 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.582 2.439 5.794 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.593 4.018 6.553 1.00 0.00 H new ATOM 0 HG SER B 659 1.872 2.303 8.092 1.00 0.00 H new ATOM 1687 N SER B 660 0.198 5.237 4.522 1.00 0.00 N ATOM 1688 CA SER B 660 0.568 5.886 3.281 1.00 0.00 C ATOM 1689 C SER B 660 1.776 6.774 3.521 1.00 0.00 C ATOM 1690 O SER B 660 2.082 7.093 4.674 1.00 0.00 O ATOM 1691 CB SER B 660 -0.597 6.700 2.711 1.00 0.00 C ATOM 1692 OG SER B 660 -0.919 7.800 3.540 1.00 0.00 O ATOM 0 H SER B 660 0.328 5.815 5.352 1.00 0.00 H new ATOM 0 HA SER B 660 0.820 5.122 2.546 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.338 7.058 1.715 1.00 0.00 H new ATOM 0 HB3 SER B 660 -1.471 6.058 2.602 1.00 0.00 H new ATOM 0 HG SER B 660 -1.464 8.440 3.037 1.00 0.00 H new ATOM 1698 N CYS B 661 2.470 7.156 2.457 1.00 0.00 N ATOM 1699 CA CYS B 661 3.655 7.999 2.587 1.00 0.00 C ATOM 1700 C CYS B 661 3.315 9.290 3.327 1.00 0.00 C ATOM 1701 O CYS B 661 4.150 9.859 4.033 1.00 0.00 O ATOM 1702 CB CYS B 661 4.227 8.324 1.210 1.00 0.00 C ATOM 1703 SG CYS B 661 4.652 6.868 0.230 1.00 0.00 S ATOM 0 H CYS B 661 2.236 6.898 1.498 1.00 0.00 H new ATOM 0 HA CYS B 661 4.403 7.453 3.162 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.502 8.922 0.658 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.118 8.939 1.334 1.00 0.00 H new ATOM 0 HG CYS B 661 3.652 6.038 0.230 1.00 0.00 H new ATOM 1709 N CYS B 662 2.068 9.715 3.196 1.00 0.00 N ATOM 1710 CA CYS B 662 1.607 10.950 3.793 1.00 0.00 C ATOM 1711 C CYS B 662 0.101 10.895 3.971 1.00 0.00 C ATOM 1712 O CYS B 662 -0.660 11.284 3.080 1.00 0.00 O ATOM 1713 CB CYS B 662 2.016 12.162 2.943 1.00 0.00 C ATOM 1714 SG CYS B 662 3.767 12.601 3.086 1.00 0.00 S ATOM 0 H CYS B 662 1.351 9.212 2.673 1.00 0.00 H new ATOM 0 HA CYS B 662 2.076 11.066 4.770 1.00 0.00 H new ATOM 0 HB2 CYS B 662 1.788 11.954 1.898 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.411 13.020 3.237 1.00 0.00 H new ATOM 0 HG CYS B 662 4.436 11.578 3.527 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.341 10.384 5.132 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.763 10.234 5.456 1.00 0.00 C ATOM 1722 C PRO B 663 -2.524 11.531 5.289 1.00 0.00 C ATOM 1723 O PRO B 663 -3.716 11.529 4.982 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.754 9.816 6.922 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.428 9.175 7.124 1.00 0.00 C ATOM 1726 CD PRO B 663 0.524 9.902 6.222 1.00 0.00 C ATOM 0 HA PRO B 663 -2.257 9.519 4.798 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.882 10.676 7.580 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.566 9.123 7.141 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.113 9.249 8.165 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.466 8.114 6.877 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.017 10.726 6.738 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.309 9.243 5.851 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.815 12.634 5.490 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.374 13.957 5.302 1.00 0.00 C ATOM 1736 C GLU B 664 -3.017 14.066 3.926 1.00 0.00 C ATOM 1737 O GLU B 664 -4.201 14.344 3.809 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.278 15.011 5.441 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.530 14.936 6.758 1.00 0.00 C ATOM 1740 CD GLU B 664 -1.434 15.146 7.953 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -1.789 16.308 8.233 1.00 0.00 O ATOM 1742 OE2 GLU B 664 -1.793 14.148 8.616 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.839 12.632 5.787 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.135 14.126 6.064 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.568 14.896 4.622 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.722 16.001 5.341 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.044 13.964 6.841 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.259 15.688 6.767 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.234 13.782 2.894 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.672 13.968 1.518 1.00 0.00 C ATOM 1751 C ARG B 665 -3.663 12.879 1.105 1.00 0.00 C ATOM 1752 O ARG B 665 -4.652 13.163 0.432 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.454 13.961 0.592 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.562 14.913 -0.586 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.235 15.010 -1.322 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.284 15.920 -2.467 1.00 0.00 N ATOM 1757 CZ ARG B 665 0.570 16.928 -2.654 1.00 0.00 C ATOM 1758 NH1 ARG B 665 1.493 17.207 -1.739 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 0.492 17.668 -3.750 1.00 0.00 N ATOM 0 H ARG B 665 -1.285 13.419 2.986 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.182 14.928 1.439 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.568 14.219 1.173 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.304 12.949 0.215 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.338 14.568 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -1.862 15.901 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.535 15.348 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG B 665 0.058 14.018 -1.665 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.015 15.775 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.552 16.649 -0.887 1.00 0.00 H new ATOM 0 HH12 ARG B 665 2.143 17.979 -1.889 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -0.221 17.467 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG B 665 1.145 18.439 -3.893 1.00 0.00 H new ATOM 1773 N THR B 666 -3.412 11.639 1.520 1.00 0.00 N ATOM 1774 CA THR B 666 -4.314 10.535 1.198 1.00 0.00 C ATOM 1775 C THR B 666 -5.705 10.797 1.783 1.00 0.00 C ATOM 1776 O THR B 666 -6.723 10.580 1.123 1.00 0.00 O ATOM 1777 CB THR B 666 -3.760 9.188 1.722 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.374 9.073 1.369 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.526 8.000 1.137 1.00 0.00 C ATOM 0 H THR B 666 -2.598 11.375 2.075 1.00 0.00 H new ATOM 0 HA THR B 666 -4.391 10.470 0.113 1.00 0.00 H new ATOM 0 HB THR B 666 -3.880 9.173 2.805 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.294 8.916 0.405 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.110 7.071 1.527 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.577 8.072 1.416 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.438 8.009 0.051 1.00 0.00 H new ATOM 1787 N SER B 667 -5.743 11.306 3.009 1.00 0.00 N ATOM 1788 CA SER B 667 -7.002 11.639 3.659 1.00 0.00 C ATOM 1789 C SER B 667 -7.542 12.984 3.155 1.00 0.00 C ATOM 1790 O SER B 667 -8.746 13.224 3.172 1.00 0.00 O ATOM 1791 CB SER B 667 -6.826 11.661 5.175 1.00 0.00 C ATOM 1792 OG SER B 667 -8.071 11.784 5.843 1.00 0.00 O ATOM 0 H SER B 667 -4.914 11.497 3.572 1.00 0.00 H new ATOM 0 HA SER B 667 -7.732 10.870 3.406 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.328 10.747 5.497 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.179 12.492 5.455 1.00 0.00 H new ATOM 0 HG SER B 667 -7.923 11.793 6.812 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.655 13.874 2.736 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.061 15.132 2.137 1.00 0.00 C ATOM 1800 C GLN B 668 -7.790 14.942 0.819 1.00 0.00 C ATOM 1801 O GLN B 668 -8.885 15.465 0.615 1.00 0.00 O ATOM 1802 CB GLN B 668 -5.848 15.987 1.908 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.552 16.865 3.085 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.718 17.755 3.469 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.561 17.278 4.369 1.00 0.00 O flip ATOM 1806 NE2 GLN B 668 -6.857 18.867 2.961 1.00 0.00 N flip ATOM 0 H GLN B 668 -5.645 13.745 2.801 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.752 15.613 2.829 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -4.988 15.349 1.706 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.002 16.605 1.024 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.282 16.242 3.937 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.686 17.487 2.858 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -6.185 19.200 2.270 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -7.644 19.456 3.231 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.181 14.177 -0.067 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.644 14.085 -1.439 1.00 0.00 C ATOM 1817 C LEU B 669 -8.644 12.950 -1.616 1.00 0.00 C ATOM 1818 O LEU B 669 -9.626 13.083 -2.345 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.445 13.881 -2.367 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.216 14.734 -2.031 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.090 14.461 -3.011 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.560 16.219 -1.999 1.00 0.00 C ATOM 0 H LEU B 669 -6.360 13.608 0.140 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.153 15.015 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.158 12.830 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -6.754 14.101 -3.389 1.00 0.00 H new ATOM 0 HG LEU B 669 -4.879 14.453 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.228 15.076 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -3.812 13.408 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.420 14.702 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -4.666 16.794 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -5.937 16.526 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.323 16.400 -1.242 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.393 11.835 -0.948 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.239 10.656 -1.084 1.00 0.00 C ATOM 1836 C PHE B 670 -10.085 10.452 0.165 1.00 0.00 C ATOM 1837 O PHE B 670 -10.868 9.502 0.251 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.370 9.424 -1.347 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.448 9.598 -2.518 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.943 9.614 -3.812 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.085 9.758 -2.324 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.096 9.784 -4.891 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.233 9.929 -3.399 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.739 9.940 -4.685 1.00 0.00 C ATOM 0 H PHE B 670 -7.610 11.720 -0.305 1.00 0.00 H new ATOM 0 HA PHE B 670 -9.913 10.804 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.781 9.205 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.014 8.562 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.003 9.492 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.684 9.749 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.495 9.795 -5.895 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.173 10.054 -3.234 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.075 10.070 -5.527 1.00 0.00 H new ATOM 1854 N ASP B 671 -9.901 11.353 1.132 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.627 11.320 2.405 1.00 0.00 C ATOM 1856 C ASP B 671 -10.347 10.041 3.180 1.00 0.00 C ATOM 1857 O ASP B 671 -11.024 9.734 4.158 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.131 11.497 2.188 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.511 12.945 1.942 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.668 13.698 2.926 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -12.645 13.343 0.764 1.00 0.00 O ATOM 0 H ASP B 671 -9.243 12.128 1.055 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.265 12.157 3.002 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.447 10.891 1.339 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.668 11.126 3.061 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.312 9.327 2.775 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.039 8.014 3.321 1.00 0.00 C ATOM 1868 C LEU B 672 -7.985 8.099 4.413 1.00 0.00 C ATOM 1869 O LEU B 672 -6.868 8.554 4.168 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.577 7.063 2.211 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.247 5.647 2.683 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.521 4.914 3.069 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.488 4.882 1.610 1.00 0.00 C ATOM 0 H LEU B 672 -8.646 9.637 2.068 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.958 7.624 3.757 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.357 7.006 1.451 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.695 7.487 1.731 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.606 5.715 3.562 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -9.274 3.906 3.404 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -10.020 5.452 3.875 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -10.184 4.857 2.206 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.264 3.877 1.969 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.098 4.818 0.709 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.557 5.402 1.382 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.324 7.668 5.636 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.390 7.706 6.751 1.00 0.00 C ATOM 1887 C PRO B 673 -6.264 6.695 6.575 1.00 0.00 C ATOM 1888 O PRO B 673 -6.492 5.542 6.201 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.246 7.370 7.973 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.440 6.652 7.442 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.628 7.098 6.016 1.00 0.00 C ATOM 0 HA PRO B 673 -6.897 8.674 6.839 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.695 6.747 8.678 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.538 8.274 8.507 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.294 5.573 7.492 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.324 6.882 8.037 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.900 6.263 5.371 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.424 7.837 5.933 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.053 7.141 6.834 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.870 6.315 6.661 1.00 0.00 C ATOM 1901 C CYS B 674 -2.924 6.495 7.833 1.00 0.00 C ATOM 1902 O CYS B 674 -2.939 7.522 8.512 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.174 6.676 5.342 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.979 5.976 3.883 1.00 0.00 S ATOM 0 H CYS B 674 -4.858 8.084 7.170 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.169 5.267 6.625 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -3.142 7.761 5.243 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.142 6.328 5.379 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.172 5.568 4.200 1.00 0.00 H new ATOM 1910 N SER B 675 -2.143 5.470 8.088 1.00 0.00 N ATOM 1911 CA SER B 675 -1.086 5.535 9.075 1.00 0.00 C ATOM 1912 C SER B 675 0.176 6.036 8.390 1.00 0.00 C ATOM 1913 O SER B 675 0.265 6.007 7.165 1.00 0.00 O ATOM 1914 CB SER B 675 -0.867 4.154 9.689 1.00 0.00 C ATOM 1915 OG SER B 675 -2.083 3.636 10.205 1.00 0.00 O ATOM 0 H SER B 675 -2.221 4.568 7.618 1.00 0.00 H new ATOM 0 HA SER B 675 -1.354 6.219 9.880 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.467 3.475 8.936 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.126 4.218 10.486 1.00 0.00 H new ATOM 0 HG SER B 675 -2.618 3.266 9.472 1.00 0.00 H new ATOM 1921 N LYS B 676 1.132 6.527 9.150 1.00 0.00 N ATOM 1922 CA LYS B 676 2.327 7.081 8.547 1.00 0.00 C ATOM 1923 C LYS B 676 3.282 5.984 8.097 1.00 0.00 C ATOM 1924 O LYS B 676 3.863 5.269 8.914 1.00 0.00 O ATOM 1925 CB LYS B 676 3.033 8.041 9.502 1.00 0.00 C ATOM 1926 CG LYS B 676 4.281 8.673 8.904 1.00 0.00 C ATOM 1927 CD LYS B 676 3.985 9.346 7.569 1.00 0.00 C ATOM 1928 CE LYS B 676 5.202 10.082 7.023 1.00 0.00 C ATOM 1929 NZ LYS B 676 6.324 9.160 6.704 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.108 6.555 10.169 1.00 0.00 H new ATOM 0 HA LYS B 676 2.014 7.641 7.666 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.339 8.829 9.793 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.305 7.504 10.411 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.687 9.407 9.600 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.046 7.909 8.765 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.661 8.596 6.848 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.160 10.048 7.691 1.00 0.00 H new ATOM 0 HE2 LYS B 676 4.919 10.631 6.125 1.00 0.00 H new ATOM 0 HE3 LYS B 676 5.536 10.818 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 7.029 9.659 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 6.768 8.836 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.961 8.340 6.178 1.00 0.00 H new ATOM 1943 N LEU B 677 3.417 5.852 6.787 1.00 0.00 N ATOM 1944 CA LEU B 677 4.407 4.966 6.202 1.00 0.00 C ATOM 1945 C LEU B 677 5.765 5.648 6.295 1.00 0.00 C ATOM 1946 O LEU B 677 6.031 6.625 5.593 1.00 0.00 O ATOM 1947 CB LEU B 677 4.024 4.644 4.740 1.00 0.00 C ATOM 1948 CG LEU B 677 4.877 3.594 4.002 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.228 4.154 3.578 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.061 2.361 4.866 1.00 0.00 C ATOM 0 H LEU B 677 2.847 6.353 6.105 1.00 0.00 H new ATOM 0 HA LEU B 677 4.449 4.019 6.739 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.988 4.305 4.729 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.062 5.572 4.169 1.00 0.00 H new ATOM 0 HG LEU B 677 4.341 3.316 3.095 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.797 3.381 3.062 1.00 0.00 H new ATOM 0 HD12 LEU B 677 6.077 5.001 2.909 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.779 4.482 4.460 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.666 1.629 4.331 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.563 2.638 5.793 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.087 1.929 5.096 1.00 0.00 H new ATOM 1962 N SER B 678 6.597 5.165 7.198 1.00 0.00 N ATOM 1963 CA SER B 678 7.915 5.741 7.403 1.00 0.00 C ATOM 1964 C SER B 678 8.996 4.671 7.345 1.00 0.00 C ATOM 1965 O SER B 678 8.704 3.485 7.210 1.00 0.00 O ATOM 1966 CB SER B 678 7.980 6.470 8.747 1.00 0.00 C ATOM 1967 OG SER B 678 7.058 7.546 8.795 1.00 0.00 O ATOM 0 H SER B 678 6.384 4.373 7.804 1.00 0.00 H new ATOM 0 HA SER B 678 8.092 6.457 6.600 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.766 5.769 9.554 1.00 0.00 H new ATOM 0 HB3 SER B 678 8.990 6.846 8.911 1.00 0.00 H new ATOM 0 HG SER B 678 6.761 7.681 9.719 1.00 0.00 H new ATOM 1973 N VAL B 679 10.244 5.102 7.443 1.00 0.00 N ATOM 1974 CA VAL B 679 11.374 4.198 7.452 1.00 0.00 C ATOM 1975 C VAL B 679 11.259 3.195 8.605 1.00 0.00 C ATOM 1976 O VAL B 679 10.999 3.567 9.751 1.00 0.00 O ATOM 1977 CB VAL B 679 12.699 4.998 7.510 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.640 6.085 8.571 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.893 4.085 7.738 1.00 0.00 C ATOM 0 H VAL B 679 10.497 6.087 7.518 1.00 0.00 H new ATOM 0 HA VAL B 679 11.375 3.623 6.526 1.00 0.00 H new ATOM 0 HB VAL B 679 12.829 5.479 6.541 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.584 6.629 8.588 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.828 6.775 8.341 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.465 5.632 9.547 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.805 4.681 7.773 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.770 3.554 8.682 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.961 3.365 6.923 1.00 0.00 H new ATOM 1989 N GLY B 680 11.432 1.921 8.275 1.00 0.00 N ATOM 1990 CA GLY B 680 11.200 0.850 9.224 1.00 0.00 C ATOM 1991 C GLY B 680 9.988 0.010 8.869 1.00 0.00 C ATOM 1992 O GLY B 680 9.888 -1.144 9.280 1.00 0.00 O ATOM 0 H GLY B 680 11.734 1.608 7.352 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.081 0.210 9.267 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.065 1.274 10.219 1.00 0.00 H new ATOM 1996 N ASP B 681 9.068 0.576 8.097 1.00 0.00 N ATOM 1997 CA ASP B 681 7.827 -0.122 7.778 1.00 0.00 C ATOM 1998 C ASP B 681 7.996 -1.008 6.546 1.00 0.00 C ATOM 1999 O ASP B 681 8.088 -0.519 5.424 1.00 0.00 O ATOM 2000 CB ASP B 681 6.674 0.864 7.546 1.00 0.00 C ATOM 2001 CG ASP B 681 6.304 1.664 8.782 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.758 1.075 9.738 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.548 2.887 8.808 1.00 0.00 O ATOM 0 H ASP B 681 9.155 1.505 7.684 1.00 0.00 H new ATOM 0 HA ASP B 681 7.583 -0.749 8.636 1.00 0.00 H new ATOM 0 HB2 ASP B 681 6.950 1.552 6.747 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.798 0.313 7.204 1.00 0.00 H new ATOM 2008 N VAL B 682 8.029 -2.315 6.753 1.00 0.00 N ATOM 2009 CA VAL B 682 8.186 -3.246 5.643 1.00 0.00 C ATOM 2010 C VAL B 682 6.916 -3.338 4.796 1.00 0.00 C ATOM 2011 O VAL B 682 5.907 -3.910 5.209 1.00 0.00 O ATOM 2012 CB VAL B 682 8.673 -4.644 6.118 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.083 -5.011 7.452 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.372 -5.724 5.096 1.00 0.00 C ATOM 0 H VAL B 682 7.950 -2.754 7.670 1.00 0.00 H new ATOM 0 HA VAL B 682 8.969 -2.844 5.000 1.00 0.00 H new ATOM 0 HB VAL B 682 9.755 -4.576 6.228 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.446 -5.994 7.752 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.379 -4.272 8.197 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.996 -5.033 7.375 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.728 -6.685 5.467 1.00 0.00 H new ATOM 0 HG22 VAL B 682 7.296 -5.776 4.928 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.875 -5.488 4.158 1.00 0.00 H new ATOM 2024 N CYS B 683 6.993 -2.763 3.599 1.00 0.00 N ATOM 2025 CA CYS B 683 5.849 -2.647 2.706 1.00 0.00 C ATOM 2026 C CYS B 683 5.405 -3.998 2.191 1.00 0.00 C ATOM 2027 O CYS B 683 6.214 -4.911 1.997 1.00 0.00 O ATOM 2028 CB CYS B 683 6.184 -1.751 1.505 1.00 0.00 C ATOM 2029 SG CYS B 683 4.833 -1.542 0.317 1.00 0.00 S ATOM 0 H CYS B 683 7.853 -2.364 3.222 1.00 0.00 H new ATOM 0 HA CYS B 683 5.040 -2.203 3.286 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.481 -0.769 1.873 1.00 0.00 H new ATOM 0 HB3 CYS B 683 7.045 -2.170 0.985 1.00 0.00 H new ATOM 0 HG CYS B 683 5.281 -0.949 -0.750 1.00 0.00 H new ATOM 2035 N ILE B 684 4.110 -4.108 1.989 1.00 0.00 N ATOM 2036 CA ILE B 684 3.532 -5.227 1.291 1.00 0.00 C ATOM 2037 C ILE B 684 3.597 -4.964 -0.207 1.00 0.00 C ATOM 2038 O ILE B 684 2.917 -4.069 -0.706 1.00 0.00 O ATOM 2039 CB ILE B 684 2.055 -5.428 1.693 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.954 -5.979 3.109 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.328 -6.338 0.709 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.533 -6.036 3.624 1.00 0.00 C ATOM 0 H ILE B 684 3.429 -3.419 2.307 1.00 0.00 H new ATOM 0 HA ILE B 684 4.093 -6.124 1.553 1.00 0.00 H new ATOM 0 HB ILE B 684 1.568 -4.453 1.665 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.384 -6.980 3.134 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.552 -5.359 3.777 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.291 -6.458 1.022 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.357 -5.895 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.815 -7.313 0.687 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.529 -6.437 4.637 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.107 -5.033 3.630 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.063 -6.679 2.977 1.00 0.00 H new ATOM 2054 N SER B 685 4.441 -5.685 -0.919 1.00 0.00 N ATOM 2055 CA SER B 685 4.426 -5.595 -2.367 1.00 0.00 C ATOM 2056 C SER B 685 3.508 -6.676 -2.898 1.00 0.00 C ATOM 2057 O SER B 685 3.731 -7.863 -2.660 1.00 0.00 O ATOM 2058 CB SER B 685 5.832 -5.752 -2.951 1.00 0.00 C ATOM 2059 OG SER B 685 5.875 -5.354 -4.311 1.00 0.00 O ATOM 0 H SER B 685 5.132 -6.327 -0.530 1.00 0.00 H new ATOM 0 HA SER B 685 4.064 -4.611 -2.665 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.537 -5.154 -2.373 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.150 -6.791 -2.864 1.00 0.00 H new ATOM 0 HG SER B 685 6.748 -5.584 -4.692 1.00 0.00 H new ATOM 2065 N LEU B 686 2.460 -6.273 -3.581 1.00 0.00 N ATOM 2066 CA LEU B 686 1.507 -7.223 -4.093 1.00 0.00 C ATOM 2067 C LEU B 686 1.716 -7.414 -5.585 1.00 0.00 C ATOM 2068 O LEU B 686 1.664 -6.458 -6.359 1.00 0.00 O ATOM 2069 CB LEU B 686 0.087 -6.735 -3.818 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.910 -7.813 -3.400 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.035 -8.894 -4.457 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.513 -8.423 -2.071 1.00 0.00 C ATOM 0 H LEU B 686 2.249 -5.298 -3.792 1.00 0.00 H new ATOM 0 HA LEU B 686 1.653 -8.180 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.127 -5.978 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.290 -6.245 -4.715 1.00 0.00 H new ATOM 0 HG LEU B 686 -1.883 -7.335 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.753 -9.645 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.378 -8.451 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.064 -9.364 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.237 -9.189 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.476 -8.873 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.492 -7.647 -1.306 1.00 0.00 H new ATOM 2084 N THR B 687 1.972 -8.642 -5.986 1.00 0.00 N ATOM 2085 CA THR B 687 2.097 -8.950 -7.391 1.00 0.00 C ATOM 2086 C THR B 687 0.807 -9.588 -7.894 1.00 0.00 C ATOM 2087 O THR B 687 0.321 -10.576 -7.334 1.00 0.00 O ATOM 2088 CB THR B 687 3.319 -9.855 -7.674 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.495 -10.032 -9.085 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.180 -11.212 -7.004 1.00 0.00 C ATOM 0 H THR B 687 2.097 -9.438 -5.361 1.00 0.00 H new ATOM 0 HA THR B 687 2.265 -8.019 -7.933 1.00 0.00 H new ATOM 0 HB THR B 687 4.195 -9.357 -7.257 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.356 -10.468 -9.255 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.058 -11.819 -7.226 1.00 0.00 H new ATOM 0 HG22 THR B 687 3.095 -11.078 -5.926 1.00 0.00 H new ATOM 0 HG23 THR B 687 2.288 -11.713 -7.379 1.00 0.00 H new ATOM 2098 N LEU B 688 0.227 -8.987 -8.917 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.027 -9.466 -9.463 1.00 0.00 C ATOM 2100 C LEU B 688 -0.748 -10.359 -10.669 1.00 0.00 C ATOM 2101 O LEU B 688 -0.523 -9.861 -11.773 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.941 -8.293 -9.884 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.330 -7.257 -8.801 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -2.890 -7.922 -7.551 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -1.154 -6.357 -8.446 1.00 0.00 C ATOM 0 H LEU B 688 0.606 -8.165 -9.386 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.542 -10.035 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.448 -7.759 -10.697 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.861 -8.714 -10.291 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.119 -6.638 -9.228 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -3.150 -7.158 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -3.781 -8.493 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -2.141 -8.591 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -1.461 -5.641 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -0.333 -6.964 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -0.825 -5.820 -9.336 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.737 -11.672 -10.462 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.506 -12.603 -11.547 1.00 0.00 C ATOM 2119 C LYS B 689 -1.788 -12.868 -12.324 1.00 0.00 C ATOM 2120 O LYS B 689 -2.667 -13.580 -11.797 1.00 0.00 O ATOM 2121 CB LYS B 689 0.073 -13.899 -11.013 1.00 0.00 C ATOM 2122 CG LYS B 689 1.538 -13.804 -10.643 1.00 0.00 C ATOM 2123 CD LYS B 689 2.385 -13.258 -11.781 1.00 0.00 C ATOM 2124 CE LYS B 689 2.626 -11.765 -11.619 1.00 0.00 C ATOM 2125 NZ LYS B 689 3.598 -11.240 -12.613 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -1.915 -12.366 -13.461 1.00 0.00 O ATOM 0 H LYS B 689 -0.886 -12.109 -9.552 1.00 0.00 H new ATOM 0 HA LYS B 689 0.213 -12.155 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.495 -14.206 -10.135 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.053 -14.679 -11.763 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.649 -13.162 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.904 -14.791 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS B 689 3.340 -13.782 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS B 689 1.887 -13.448 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS B 689 1.680 -11.233 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.995 -11.566 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 3.730 -10.219 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.509 -11.728 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 3.236 -11.405 -13.574 1.00 0.00 H new TER 2140 LYS B 689