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: B 683 CYS SG : rot -111:sc= -2.32! USER MOD Set 1.2: B 685 SER OG : rot 138:sc= -0.87! USER MOD Set 2.1: B 660 SER OG : rot -175:sc= 1.17 USER MOD Set 2.2: B 666 THR OG1 : rot -82:sc= 1.75 USER MOD Single : A 38 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.12) USER MOD Single : A 39 SER OG : rot 177:sc= -0.37 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 570 THR OG1 : rot 22:sc= 0.588 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -151:sc= -0.502 (180deg=-1.87) USER MOD Single : B 577 LYS NZ :NH3+ 155:sc= 1.12 (180deg=0.735) USER MOD Single : B 579 SER OG : rot 68:sc= 1.21 USER MOD Single : B 582 GLN : amide:sc=-0.00631 K(o=-0.0063,f=-0.79) USER MOD Single : B 585 ASN : amide:sc= 0.00664 X(o=0.0066,f=-0.4) USER MOD Single : B 589 LYS NZ :NH3+ -122:sc= 1.25 (180deg=0.08) USER MOD Single : B 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 596 THR OG1 : rot -1:sc= -2.06! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 69:sc= -1.61! USER MOD Single : B 606 SER OG : rot -3:sc= 0.924 USER MOD Single : B 607 ASN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 45:sc= 0.0346 USER MOD Single : B 614 SER OG : rot 92:sc= -1.48! USER MOD Single : B 615 THR OG1 : rot 180:sc= -1.94! USER MOD Single : B 622 SER OG : rot 166:sc= 1.27 USER MOD Single : B 623 HIS : no HD1:sc=-0.00863 X(o=-0.0086,f=0) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 631 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.21) USER MOD Single : B 637 HIS : no HD1:sc=-0.00295 X(o=-0.0029,f=0) USER MOD Single : B 640 GLN : amide:sc= 1.15 K(o=1.1,f=-0.51) USER MOD Single : B 642 SER OG : rot 46:sc= 0.0604 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -4.81! C(o=-12!,f=-4.8!) USER MOD Single : B 659 SER OG : rot 180:sc= -2.06! USER MOD Single : B 661 CYS SG : rot 81:sc= 0.319 USER MOD Single : B 662 CYS SG : rot 22:sc= -2.95! USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN :FLIP amide:sc= -0.237 F(o=-1.2,f=-0.24) USER MOD Single : B 674 CYS SG : rot 11:sc= -1.51 USER MOD Single : B 675 SER OG : rot 77:sc= 0.0102 USER MOD Single : B 676 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00216) USER MOD Single : B 678 SER OG : rot 180:sc= -1.1 USER MOD Single : B 687 THR OG1 : rot -40:sc= 0.177 USER MOD Single : B 689 LYS NZ :NH3+ -172:sc=-0.000698 (180deg=-0.0774) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.727 -4.988 -5.664 1.00 0.00 N ATOM 2 CA VAL A 34 -17.473 -4.720 -4.925 1.00 0.00 C ATOM 3 C VAL A 34 -16.279 -5.096 -5.782 1.00 0.00 C ATOM 4 O VAL A 34 -16.358 -5.989 -6.623 1.00 0.00 O ATOM 5 CB VAL A 34 -17.430 -5.478 -3.583 1.00 0.00 C ATOM 6 CG1 VAL A 34 -16.232 -5.047 -2.762 1.00 0.00 C ATOM 7 CG2 VAL A 34 -18.723 -5.266 -2.808 1.00 0.00 C ATOM 0 HA VAL A 34 -17.436 -3.654 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.329 -6.543 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.221 -5.594 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.317 -5.259 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -16.295 -3.978 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.674 -5.808 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.858 -4.203 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -19.564 -5.635 -3.395 1.00 0.00 H new ATOM 19 N PHE A 35 -15.176 -4.407 -5.557 1.00 0.00 N ATOM 20 CA PHE A 35 -14.054 -4.430 -6.476 1.00 0.00 C ATOM 21 C PHE A 35 -12.925 -5.302 -5.943 1.00 0.00 C ATOM 22 O PHE A 35 -12.815 -5.505 -4.730 1.00 0.00 O ATOM 23 CB PHE A 35 -13.545 -3.000 -6.693 1.00 0.00 C ATOM 24 CG PHE A 35 -14.630 -2.002 -7.007 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.812 -2.396 -7.620 1.00 0.00 C ATOM 26 CD2 PHE A 35 -14.466 -0.667 -6.686 1.00 0.00 C ATOM 27 CE1 PHE A 35 -16.801 -1.480 -7.909 1.00 0.00 C ATOM 28 CE2 PHE A 35 -15.451 0.253 -6.976 1.00 0.00 C ATOM 29 CZ PHE A 35 -16.619 -0.153 -7.589 1.00 0.00 C ATOM 0 H PHE A 35 -15.033 -3.818 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.391 -4.853 -7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.015 -2.675 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.822 -3.003 -7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.959 -3.435 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -13.557 -0.342 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.715 -1.802 -8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.308 1.293 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 35 -17.389 0.569 -7.817 1.00 0.00 H new ATOM 39 N PRO A 36 -12.085 -5.838 -6.850 1.00 0.00 N ATOM 40 CA PRO A 36 -10.890 -6.600 -6.478 1.00 0.00 C ATOM 41 C PRO A 36 -10.022 -5.821 -5.504 1.00 0.00 C ATOM 42 O PRO A 36 -9.789 -4.622 -5.690 1.00 0.00 O ATOM 43 CB PRO A 36 -10.158 -6.795 -7.804 1.00 0.00 C ATOM 44 CG PRO A 36 -11.224 -6.724 -8.838 1.00 0.00 C ATOM 45 CD PRO A 36 -12.242 -5.750 -8.315 1.00 0.00 C ATOM 0 HA PRO A 36 -11.134 -7.538 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.405 -6.022 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.641 -7.754 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.819 -6.390 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.671 -7.704 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.054 -4.740 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.251 -6.019 -8.627 1.00 0.00 H new ATOM 53 N TRP A 37 -9.541 -6.509 -4.476 1.00 0.00 N ATOM 54 CA TRP A 37 -8.850 -5.870 -3.370 1.00 0.00 C ATOM 55 C TRP A 37 -7.597 -5.099 -3.797 1.00 0.00 C ATOM 56 O TRP A 37 -7.134 -4.219 -3.068 1.00 0.00 O ATOM 57 CB TRP A 37 -8.523 -6.886 -2.272 1.00 0.00 C ATOM 58 CG TRP A 37 -7.941 -8.187 -2.752 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.584 -9.168 -3.454 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.616 -8.672 -2.518 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.736 -10.217 -3.686 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.525 -9.939 -3.119 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.494 -8.157 -1.866 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.363 -10.697 -3.083 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.340 -8.913 -1.832 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.283 -10.172 -2.437 1.00 0.00 C ATOM 0 H TRP A 37 -9.620 -7.522 -4.388 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.539 -5.126 -2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.821 -6.429 -1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.435 -7.099 -1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.613 -9.122 -3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.970 -11.067 -4.198 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.529 -7.185 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.316 -11.669 -3.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.466 -8.525 -1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.366 -10.740 -2.392 1.00 0.00 H new ATOM 77 N HIS A 38 -7.035 -5.421 -4.961 1.00 0.00 N ATOM 78 CA HIS A 38 -5.979 -4.597 -5.527 1.00 0.00 C ATOM 79 C HIS A 38 -6.562 -3.276 -6.034 1.00 0.00 C ATOM 80 O HIS A 38 -6.771 -3.086 -7.233 1.00 0.00 O ATOM 81 CB HIS A 38 -5.260 -5.345 -6.658 1.00 0.00 C ATOM 82 CG HIS A 38 -4.175 -4.553 -7.338 1.00 0.00 C ATOM 83 ND1 HIS A 38 -2.980 -4.224 -6.732 1.00 0.00 N ATOM 84 CD2 HIS A 38 -4.112 -4.034 -8.589 1.00 0.00 C ATOM 85 CE1 HIS A 38 -2.234 -3.538 -7.580 1.00 0.00 C ATOM 86 NE2 HIS A 38 -2.898 -3.411 -8.712 1.00 0.00 N ATOM 0 H HIS A 38 -7.291 -6.235 -5.520 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.247 -4.378 -4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.826 -6.259 -6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.996 -5.644 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.877 -4.100 -9.348 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.247 -3.147 -7.380 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.562 -2.927 -9.545 1.00 0.00 H new ATOM 95 N SER A 39 -6.853 -2.385 -5.101 1.00 0.00 N ATOM 96 CA SER A 39 -7.383 -1.070 -5.423 1.00 0.00 C ATOM 97 C SER A 39 -6.684 0.000 -4.578 1.00 0.00 C ATOM 98 O SER A 39 -6.873 1.195 -4.788 1.00 0.00 O ATOM 99 CB SER A 39 -8.900 -1.064 -5.171 1.00 0.00 C ATOM 100 OG SER A 39 -9.486 0.191 -5.472 1.00 0.00 O ATOM 0 H SER A 39 -6.729 -2.552 -4.102 1.00 0.00 H new ATOM 0 HA SER A 39 -7.197 -0.843 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.371 -1.838 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.095 -1.314 -4.128 1.00 0.00 H new ATOM 0 HG SER A 39 -10.456 0.138 -5.346 1.00 0.00 H new ATOM 106 N LEU A 40 -5.856 -0.460 -3.644 1.00 0.00 N ATOM 107 CA LEU A 40 -5.216 0.400 -2.644 1.00 0.00 C ATOM 108 C LEU A 40 -3.853 -0.171 -2.260 1.00 0.00 C ATOM 109 O LEU A 40 -2.932 0.569 -1.925 1.00 0.00 O ATOM 110 CB LEU A 40 -6.099 0.516 -1.394 1.00 0.00 C ATOM 111 CG LEU A 40 -7.072 -0.652 -1.178 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.239 -0.956 0.297 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.427 -0.333 -1.792 1.00 0.00 C ATOM 0 H LEU A 40 -5.607 -1.445 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.082 1.392 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.455 0.600 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.673 1.441 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.653 -1.531 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.933 -1.787 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.273 -1.223 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.631 -0.077 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.106 -1.170 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.837 0.562 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.310 -0.162 -2.862 1.00 0.00 H new ATOM 125 N VAL A 41 -3.737 -1.499 -2.301 1.00 0.00 N ATOM 126 CA VAL A 41 -2.488 -2.169 -2.001 1.00 0.00 C ATOM 127 C VAL A 41 -1.523 -2.073 -3.187 1.00 0.00 C ATOM 128 O VAL A 41 -1.814 -2.549 -4.289 1.00 0.00 O ATOM 129 CB VAL A 41 -2.733 -3.647 -1.619 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.391 -4.430 -2.753 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.437 -4.296 -1.195 1.00 0.00 C ATOM 0 H VAL A 41 -4.503 -2.128 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.033 -1.668 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.427 -3.663 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.544 -5.463 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.352 -3.978 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.747 -4.408 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.621 -5.337 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.723 -4.253 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.030 -3.767 -0.333 1.00 0.00 H new ATOM 141 N PRO A 42 -0.372 -1.430 -2.985 1.00 0.00 N ATOM 142 CA PRO A 42 0.602 -1.214 -4.042 1.00 0.00 C ATOM 143 C PRO A 42 1.618 -2.344 -4.171 1.00 0.00 C ATOM 144 O PRO A 42 1.530 -3.375 -3.499 1.00 0.00 O ATOM 145 CB PRO A 42 1.296 0.058 -3.575 1.00 0.00 C ATOM 146 CG PRO A 42 1.306 -0.054 -2.089 1.00 0.00 C ATOM 147 CD PRO A 42 0.070 -0.834 -1.711 1.00 0.00 C ATOM 0 HA PRO A 42 0.134 -1.158 -5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.307 0.130 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.759 0.948 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.206 -0.562 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.299 0.932 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.292 -1.599 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.697 -0.187 -1.285 1.00 0.00 H new ATOM 155 N PHE A 43 2.574 -2.132 -5.054 1.00 0.00 N ATOM 156 CA PHE A 43 3.697 -3.027 -5.237 1.00 0.00 C ATOM 157 C PHE A 43 4.940 -2.183 -5.453 1.00 0.00 C ATOM 158 O PHE A 43 5.040 -1.473 -6.454 1.00 0.00 O ATOM 159 CB PHE A 43 3.454 -3.951 -6.438 1.00 0.00 C ATOM 160 CG PHE A 43 4.600 -4.877 -6.747 1.00 0.00 C ATOM 161 CD1 PHE A 43 4.840 -5.992 -5.960 1.00 0.00 C ATOM 162 CD2 PHE A 43 5.431 -4.633 -7.828 1.00 0.00 C ATOM 163 CE1 PHE A 43 5.889 -6.845 -6.246 1.00 0.00 C ATOM 164 CE2 PHE A 43 6.483 -5.483 -8.118 1.00 0.00 C ATOM 165 CZ PHE A 43 6.711 -6.590 -7.325 1.00 0.00 C ATOM 0 H PHE A 43 2.592 -1.321 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 43 3.824 -3.658 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.561 -4.547 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.249 -3.340 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.200 -6.197 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.255 -3.769 -8.452 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.066 -7.711 -5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.125 -5.281 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.532 -7.256 -7.549 1.00 0.00 H new ATOM 175 N LEU A 44 5.865 -2.220 -4.499 1.00 0.00 N ATOM 176 CA LEU A 44 7.066 -1.403 -4.597 1.00 0.00 C ATOM 177 C LEU A 44 7.900 -1.866 -5.800 1.00 0.00 C ATOM 178 O LEU A 44 7.726 -2.993 -6.267 1.00 0.00 O ATOM 179 CB LEU A 44 7.850 -1.399 -3.250 1.00 0.00 C ATOM 180 CG LEU A 44 8.855 -2.536 -2.955 1.00 0.00 C ATOM 181 CD1 LEU A 44 8.334 -3.901 -3.367 1.00 0.00 C ATOM 182 CD2 LEU A 44 10.194 -2.249 -3.603 1.00 0.00 C ATOM 0 H LEU A 44 5.807 -2.799 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 44 6.798 -0.362 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.395 -0.457 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.116 -1.393 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 44 8.988 -2.567 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.081 -4.660 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.415 -4.119 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.131 -3.905 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.886 -3.062 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.065 -2.164 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.595 -1.314 -3.211 1.00 0.00 H new ATOM 194 N ALA A 45 8.760 -0.990 -6.315 1.00 0.00 N ATOM 195 CA ALA A 45 9.526 -1.275 -7.533 1.00 0.00 C ATOM 196 C ALA A 45 10.205 -2.645 -7.473 1.00 0.00 C ATOM 197 O ALA A 45 10.713 -3.046 -6.426 1.00 0.00 O ATOM 198 CB ALA A 45 10.560 -0.185 -7.766 1.00 0.00 C ATOM 0 H ALA A 45 8.946 -0.073 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 45 8.825 -1.294 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.123 -0.406 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.057 0.776 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.242 -0.143 -6.916 1.00 0.00 H new ATOM 204 N PRO A 46 10.212 -3.375 -8.607 1.00 0.00 N ATOM 205 CA PRO A 46 10.761 -4.732 -8.699 1.00 0.00 C ATOM 206 C PRO A 46 12.098 -4.873 -7.982 1.00 0.00 C ATOM 207 O PRO A 46 13.020 -4.086 -8.206 1.00 0.00 O ATOM 208 CB PRO A 46 10.930 -4.965 -10.210 1.00 0.00 C ATOM 209 CG PRO A 46 10.571 -3.669 -10.869 1.00 0.00 C ATOM 210 CD PRO A 46 9.691 -2.933 -9.901 1.00 0.00 C ATOM 0 HA PRO A 46 10.106 -5.460 -8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.954 -5.254 -10.448 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.283 -5.771 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.465 -3.090 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.052 -3.843 -11.812 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.768 -1.853 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.640 -3.194 -10.027 1.00 0.00 H new ATOM 218 N SER A 47 12.185 -5.876 -7.118 1.00 0.00 N ATOM 219 CA SER A 47 13.357 -6.083 -6.286 1.00 0.00 C ATOM 220 C SER A 47 14.591 -6.393 -7.125 1.00 0.00 C ATOM 221 O SER A 47 14.790 -7.518 -7.585 1.00 0.00 O ATOM 222 CB SER A 47 13.078 -7.198 -5.283 1.00 0.00 C ATOM 223 OG SER A 47 12.323 -8.239 -5.878 1.00 0.00 O ATOM 0 H SER A 47 11.447 -6.565 -6.976 1.00 0.00 H new ATOM 0 HA SER A 47 13.567 -5.161 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.020 -7.597 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.537 -6.795 -4.427 1.00 0.00 H new ATOM 0 HG SER A 47 12.158 -8.943 -5.216 1.00 0.00 H new ATOM 229 N GLN A 48 15.412 -5.378 -7.321 1.00 0.00 N ATOM 230 CA GLN A 48 16.616 -5.501 -8.110 1.00 0.00 C ATOM 231 C GLN A 48 17.839 -5.164 -7.263 1.00 0.00 C ATOM 232 O GLN A 48 18.408 -6.096 -6.656 1.00 0.00 O ATOM 233 CB GLN A 48 16.523 -4.612 -9.360 1.00 0.00 C ATOM 234 CG GLN A 48 16.044 -3.192 -9.080 1.00 0.00 C ATOM 235 CD GLN A 48 15.773 -2.395 -10.343 1.00 0.00 C ATOM 236 OE1 GLN A 48 16.401 -2.610 -11.382 1.00 0.00 O ATOM 237 NE2 GLN A 48 14.830 -1.469 -10.265 1.00 0.00 N ATOM 238 OXT GLN A 48 18.211 -3.973 -7.180 1.00 0.00 O ATOM 0 H GLN A 48 15.260 -4.446 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 48 16.723 -6.532 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 48 17.504 -4.566 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.845 -5.078 -10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.134 -3.233 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.794 -2.673 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.332 -1.321 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.601 -0.904 -11.083 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -30.352 7.676 -1.824 1.00 0.00 N ATOM 249 CA ALA B 567 -29.028 7.374 -1.242 1.00 0.00 C ATOM 250 C ALA B 567 -27.923 7.920 -2.131 1.00 0.00 C ATOM 251 O ALA B 567 -27.950 7.741 -3.350 1.00 0.00 O ATOM 252 CB ALA B 567 -28.860 5.876 -1.053 1.00 0.00 C ATOM 0 HA ALA B 567 -28.961 7.856 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -27.879 5.671 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -29.635 5.505 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -28.945 5.376 -2.018 1.00 0.00 H new ATOM 258 N PRO B 568 -26.942 8.611 -1.539 1.00 0.00 N ATOM 259 CA PRO B 568 -25.817 9.148 -2.283 1.00 0.00 C ATOM 260 C PRO B 568 -24.726 8.108 -2.496 1.00 0.00 C ATOM 261 O PRO B 568 -24.471 7.272 -1.631 1.00 0.00 O ATOM 262 CB PRO B 568 -25.314 10.280 -1.395 1.00 0.00 C ATOM 263 CG PRO B 568 -25.710 9.906 -0.002 1.00 0.00 C ATOM 264 CD PRO B 568 -26.855 8.926 -0.104 1.00 0.00 C ATOM 0 HA PRO B 568 -26.102 9.473 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -24.233 10.392 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -25.757 11.233 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -24.869 9.460 0.529 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -26.010 10.789 0.562 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -26.666 8.031 0.488 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -27.784 9.361 0.264 1.00 0.00 H new ATOM 272 N PRO B 569 -24.065 8.155 -3.653 1.00 0.00 N ATOM 273 CA PRO B 569 -22.991 7.223 -3.989 1.00 0.00 C ATOM 274 C PRO B 569 -21.667 7.614 -3.340 1.00 0.00 C ATOM 275 O PRO B 569 -20.628 7.014 -3.621 1.00 0.00 O ATOM 276 CB PRO B 569 -22.898 7.345 -5.507 1.00 0.00 C ATOM 277 CG PRO B 569 -23.300 8.752 -5.790 1.00 0.00 C ATOM 278 CD PRO B 569 -24.319 9.119 -4.740 1.00 0.00 C ATOM 0 HA PRO B 569 -23.192 6.211 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -21.887 7.141 -5.861 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -23.559 6.635 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -22.439 9.419 -5.746 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -23.723 8.842 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -24.192 10.147 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -25.336 9.033 -5.122 1.00 0.00 H new ATOM 286 N THR B 570 -21.730 8.623 -2.463 1.00 0.00 N ATOM 287 CA THR B 570 -20.575 9.177 -1.778 1.00 0.00 C ATOM 288 C THR B 570 -19.427 9.483 -2.742 1.00 0.00 C ATOM 289 O THR B 570 -19.644 9.640 -3.947 1.00 0.00 O ATOM 290 CB THR B 570 -20.104 8.252 -0.633 1.00 0.00 C ATOM 291 OG1 THR B 570 -19.939 6.899 -1.088 1.00 0.00 O ATOM 292 CG2 THR B 570 -21.092 8.283 0.524 1.00 0.00 C ATOM 0 H THR B 570 -22.606 9.080 -2.211 1.00 0.00 H new ATOM 0 HA THR B 570 -20.891 10.124 -1.340 1.00 0.00 H new ATOM 0 HB THR B 570 -19.138 8.623 -0.291 1.00 0.00 H new ATOM 0 HG1 THR B 570 -19.814 6.894 -2.060 1.00 0.00 H new ATOM 0 HG21 THR B 570 -20.742 7.625 1.319 1.00 0.00 H new ATOM 0 HG22 THR B 570 -21.174 9.301 0.905 1.00 0.00 H new ATOM 0 HG23 THR B 570 -22.069 7.945 0.178 1.00 0.00 H new ATOM 300 N LEU B 571 -18.228 9.622 -2.207 1.00 0.00 N ATOM 301 CA LEU B 571 -17.041 9.789 -3.030 1.00 0.00 C ATOM 302 C LEU B 571 -16.761 8.498 -3.813 1.00 0.00 C ATOM 303 O LEU B 571 -17.352 7.459 -3.505 1.00 0.00 O ATOM 304 CB LEU B 571 -15.842 10.213 -2.161 1.00 0.00 C ATOM 305 CG LEU B 571 -15.137 9.109 -1.369 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.065 9.710 -0.479 1.00 0.00 C ATOM 307 CD2 LEU B 571 -16.127 8.320 -0.539 1.00 0.00 C ATOM 0 H LEU B 571 -18.049 9.623 -1.203 1.00 0.00 H new ATOM 0 HA LEU B 571 -17.210 10.585 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.106 10.690 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -16.185 10.970 -1.456 1.00 0.00 H new ATOM 0 HG LEU B 571 -14.669 8.425 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -13.569 8.916 0.080 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -13.332 10.233 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.522 10.413 0.217 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -15.600 7.542 0.014 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -16.628 8.988 0.162 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -16.867 7.861 -1.194 1.00 0.00 H new ATOM 319 N PRO B 572 -15.901 8.549 -4.853 1.00 0.00 N ATOM 320 CA PRO B 572 -15.591 7.390 -5.703 1.00 0.00 C ATOM 321 C PRO B 572 -15.428 6.077 -4.930 1.00 0.00 C ATOM 322 O PRO B 572 -14.860 6.040 -3.838 1.00 0.00 O ATOM 323 CB PRO B 572 -14.284 7.797 -6.368 1.00 0.00 C ATOM 324 CG PRO B 572 -14.394 9.275 -6.503 1.00 0.00 C ATOM 325 CD PRO B 572 -15.170 9.749 -5.302 1.00 0.00 C ATOM 0 HA PRO B 572 -16.403 7.176 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.423 7.514 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.163 7.315 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.408 9.737 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.904 9.545 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.508 10.128 -4.523 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.852 10.558 -5.562 1.00 0.00 H new ATOM 333 N PRO B 573 -15.934 4.983 -5.515 1.00 0.00 N ATOM 334 CA PRO B 573 -16.027 3.676 -4.857 1.00 0.00 C ATOM 335 C PRO B 573 -14.711 2.896 -4.845 1.00 0.00 C ATOM 336 O PRO B 573 -14.617 1.830 -4.232 1.00 0.00 O ATOM 337 CB PRO B 573 -17.061 2.955 -5.707 1.00 0.00 C ATOM 338 CG PRO B 573 -16.847 3.499 -7.073 1.00 0.00 C ATOM 339 CD PRO B 573 -16.457 4.939 -6.890 1.00 0.00 C ATOM 0 HA PRO B 573 -16.284 3.774 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.916 1.875 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -18.074 3.150 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -16.066 2.947 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.753 3.413 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.704 5.246 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.311 5.605 -7.016 1.00 0.00 H new ATOM 347 N TYR B 574 -13.711 3.399 -5.549 1.00 0.00 N ATOM 348 CA TYR B 574 -12.391 2.775 -5.527 1.00 0.00 C ATOM 349 C TYR B 574 -11.500 3.388 -4.458 1.00 0.00 C ATOM 350 O TYR B 574 -11.190 4.572 -4.514 1.00 0.00 O ATOM 351 CB TYR B 574 -11.683 2.890 -6.872 1.00 0.00 C ATOM 352 CG TYR B 574 -12.119 1.879 -7.906 1.00 0.00 C ATOM 353 CD1 TYR B 574 -11.516 0.629 -7.959 1.00 0.00 C ATOM 354 CD2 TYR B 574 -13.108 2.171 -8.834 1.00 0.00 C ATOM 355 CE1 TYR B 574 -11.886 -0.303 -8.907 1.00 0.00 C ATOM 356 CE2 TYR B 574 -13.487 1.244 -9.784 1.00 0.00 C ATOM 357 CZ TYR B 574 -12.874 0.008 -9.816 1.00 0.00 C ATOM 358 OH TYR B 574 -13.245 -0.915 -10.767 1.00 0.00 O ATOM 0 H TYR B 574 -13.782 4.229 -6.138 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.561 1.722 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.850 3.891 -7.270 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.610 2.785 -6.712 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.744 0.382 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -13.589 3.138 -8.813 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -11.405 -1.269 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -14.260 1.485 -10.499 1.00 0.00 H new ATOM 0 HH TYR B 574 -13.955 -0.539 -11.329 1.00 0.00 H new ATOM 368 N PHE B 575 -11.150 2.561 -3.473 1.00 0.00 N ATOM 369 CA PHE B 575 -10.090 2.822 -2.480 1.00 0.00 C ATOM 370 C PHE B 575 -10.332 4.031 -1.566 1.00 0.00 C ATOM 371 O PHE B 575 -9.736 4.107 -0.496 1.00 0.00 O ATOM 372 CB PHE B 575 -8.706 2.908 -3.158 1.00 0.00 C ATOM 373 CG PHE B 575 -8.150 4.294 -3.374 1.00 0.00 C ATOM 374 CD1 PHE B 575 -7.375 4.897 -2.396 1.00 0.00 C ATOM 375 CD2 PHE B 575 -8.382 4.982 -4.555 1.00 0.00 C ATOM 376 CE1 PHE B 575 -6.851 6.157 -2.586 1.00 0.00 C ATOM 377 CE2 PHE B 575 -7.859 6.244 -4.750 1.00 0.00 C ATOM 378 CZ PHE B 575 -7.093 6.831 -3.765 1.00 0.00 C ATOM 0 H PHE B 575 -11.607 1.660 -3.334 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.117 1.961 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.994 2.345 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.768 2.410 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -7.179 4.372 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -8.979 4.525 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -6.252 6.616 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -8.049 6.771 -5.673 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.683 7.818 -3.917 1.00 0.00 H new ATOM 388 N MET B 576 -11.185 4.958 -1.956 1.00 0.00 N ATOM 389 CA MET B 576 -11.414 6.149 -1.150 1.00 0.00 C ATOM 390 C MET B 576 -12.228 5.802 0.093 1.00 0.00 C ATOM 391 O MET B 576 -12.713 4.681 0.216 1.00 0.00 O ATOM 392 CB MET B 576 -12.100 7.233 -1.980 1.00 0.00 C ATOM 393 CG MET B 576 -11.346 7.566 -3.248 1.00 0.00 C ATOM 394 SD MET B 576 -11.851 9.127 -3.995 1.00 0.00 S ATOM 395 CE MET B 576 -10.925 9.059 -5.529 1.00 0.00 C ATOM 0 H MET B 576 -11.729 4.914 -2.818 1.00 0.00 H new ATOM 0 HA MET B 576 -10.451 6.541 -0.821 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.107 6.904 -2.237 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.203 8.135 -1.377 1.00 0.00 H new ATOM 0 HG2 MET B 576 -10.279 7.606 -3.027 1.00 0.00 H new ATOM 0 HG3 MET B 576 -11.492 6.763 -3.970 1.00 0.00 H new ATOM 0 HE1 MET B 576 -10.693 10.072 -5.859 1.00 0.00 H new ATOM 0 HE2 MET B 576 -9.998 8.508 -5.370 1.00 0.00 H new ATOM 0 HE3 MET B 576 -11.520 8.556 -6.291 1.00 0.00 H new ATOM 405 N LYS B 577 -12.368 6.751 1.012 1.00 0.00 N ATOM 406 CA LYS B 577 -13.001 6.487 2.309 1.00 0.00 C ATOM 407 C LYS B 577 -14.302 5.690 2.192 1.00 0.00 C ATOM 408 O LYS B 577 -15.196 6.033 1.420 1.00 0.00 O ATOM 409 CB LYS B 577 -13.299 7.788 3.046 1.00 0.00 C ATOM 410 CG LYS B 577 -13.831 7.560 4.452 1.00 0.00 C ATOM 411 CD LYS B 577 -14.267 8.855 5.105 1.00 0.00 C ATOM 412 CE LYS B 577 -14.715 8.629 6.539 1.00 0.00 C ATOM 413 NZ LYS B 577 -13.642 8.025 7.373 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.053 7.713 0.887 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.282 5.887 2.867 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.390 8.387 3.099 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.027 8.365 2.476 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.674 6.870 4.414 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.060 7.088 5.060 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.443 9.568 5.088 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.083 9.296 4.533 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.022 9.579 6.976 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -15.589 7.978 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -13.801 8.267 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.655 6.991 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -12.718 8.394 7.071 1.00 0.00 H new ATOM 427 N GLY B 578 -14.380 4.616 2.968 1.00 0.00 N ATOM 428 CA GLY B 578 -15.601 3.837 3.065 1.00 0.00 C ATOM 429 C GLY B 578 -15.925 3.052 1.808 1.00 0.00 C ATOM 430 O GLY B 578 -17.033 2.536 1.665 1.00 0.00 O ATOM 0 H GLY B 578 -13.610 4.267 3.538 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -15.514 3.145 3.903 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.432 4.506 3.289 1.00 0.00 H new ATOM 434 N SER B 579 -14.977 2.961 0.892 1.00 0.00 N ATOM 435 CA SER B 579 -15.144 2.105 -0.267 1.00 0.00 C ATOM 436 C SER B 579 -15.085 0.647 0.163 1.00 0.00 C ATOM 437 O SER B 579 -14.187 0.248 0.908 1.00 0.00 O ATOM 438 CB SER B 579 -14.072 2.404 -1.313 1.00 0.00 C ATOM 439 OG SER B 579 -14.167 3.747 -1.754 1.00 0.00 O ATOM 0 H SER B 579 -14.091 3.465 0.928 1.00 0.00 H new ATOM 0 HA SER B 579 -16.117 2.301 -0.718 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.084 2.223 -0.891 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.185 1.728 -2.161 1.00 0.00 H new ATOM 0 HG SER B 579 -13.918 4.350 -1.023 1.00 0.00 H new ATOM 445 N ILE B 580 -16.061 -0.134 -0.271 1.00 0.00 N ATOM 446 CA ILE B 580 -16.113 -1.541 0.071 1.00 0.00 C ATOM 447 C ILE B 580 -15.145 -2.317 -0.812 1.00 0.00 C ATOM 448 O ILE B 580 -15.221 -2.254 -2.043 1.00 0.00 O ATOM 449 CB ILE B 580 -17.548 -2.104 -0.064 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.488 -1.416 0.940 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.566 -3.615 0.134 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.157 -1.697 2.397 1.00 0.00 C ATOM 0 H ILE B 580 -16.828 0.186 -0.862 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.818 -1.654 1.114 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.901 -1.895 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.455 -0.339 0.773 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.511 -1.738 0.743 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.587 -3.983 0.034 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.934 -4.088 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.190 -3.856 1.128 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.867 -1.175 3.039 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.219 -2.769 2.584 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.147 -1.349 2.614 1.00 0.00 H new ATOM 464 N ILE B 581 -14.217 -3.006 -0.174 1.00 0.00 N ATOM 465 CA ILE B 581 -13.186 -3.751 -0.869 1.00 0.00 C ATOM 466 C ILE B 581 -13.421 -5.246 -0.695 1.00 0.00 C ATOM 467 O ILE B 581 -13.721 -5.704 0.410 1.00 0.00 O ATOM 468 CB ILE B 581 -11.782 -3.403 -0.327 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.634 -1.900 -0.064 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.721 -3.864 -1.299 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.791 -1.023 -1.285 1.00 0.00 C ATOM 0 H ILE B 581 -14.158 -3.064 0.843 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.234 -3.481 -1.924 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.655 -3.923 0.623 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.374 -1.601 0.678 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.652 -1.717 0.373 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.735 -3.614 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.795 -4.943 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.867 -3.368 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.670 0.022 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -11.034 -1.288 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.782 -1.170 -1.713 1.00 0.00 H new ATOM 483 N GLN B 582 -13.304 -5.999 -1.780 1.00 0.00 N ATOM 484 CA GLN B 582 -13.499 -7.441 -1.729 1.00 0.00 C ATOM 485 C GLN B 582 -12.171 -8.164 -1.816 1.00 0.00 C ATOM 486 O GLN B 582 -11.455 -8.057 -2.813 1.00 0.00 O ATOM 487 CB GLN B 582 -14.405 -7.900 -2.862 1.00 0.00 C ATOM 488 CG GLN B 582 -14.710 -9.391 -2.841 1.00 0.00 C ATOM 489 CD GLN B 582 -15.491 -9.844 -4.061 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.345 -9.286 -5.150 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.329 -10.853 -3.892 1.00 0.00 N ATOM 0 H GLN B 582 -13.075 -5.636 -2.705 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.972 -7.681 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.343 -7.346 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.937 -7.648 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.775 -9.949 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.278 -9.629 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.423 -11.290 -2.975 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.881 -11.194 -4.679 1.00 0.00 H new ATOM 500 N LEU B 583 -11.859 -8.910 -0.775 1.00 0.00 N ATOM 501 CA LEU B 583 -10.601 -9.620 -0.697 1.00 0.00 C ATOM 502 C LEU B 583 -10.653 -10.930 -1.474 1.00 0.00 C ATOM 503 O LEU B 583 -11.680 -11.255 -2.072 1.00 0.00 O ATOM 504 CB LEU B 583 -10.267 -9.871 0.760 1.00 0.00 C ATOM 505 CG LEU B 583 -10.127 -8.612 1.609 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.829 -8.987 3.041 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.046 -7.696 1.049 1.00 0.00 C ATOM 0 H LEU B 583 -12.466 -9.040 0.034 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.820 -9.010 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.044 -10.500 1.193 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.335 -10.434 0.813 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.070 -8.065 1.581 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.730 -8.082 3.641 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.643 -9.596 3.434 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -8.899 -9.553 3.083 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -8.965 -6.805 1.672 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.091 -8.222 1.042 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.307 -7.405 0.032 1.00 0.00 H new ATOM 519 N ALA B 584 -9.560 -11.684 -1.470 1.00 0.00 N ATOM 520 CA ALA B 584 -9.491 -12.901 -2.272 1.00 0.00 C ATOM 521 C ALA B 584 -10.426 -13.971 -1.726 1.00 0.00 C ATOM 522 O ALA B 584 -11.027 -14.736 -2.484 1.00 0.00 O ATOM 523 CB ALA B 584 -8.071 -13.431 -2.346 1.00 0.00 C ATOM 0 H ALA B 584 -8.720 -11.479 -0.929 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.813 -12.645 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.052 -14.338 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.425 -12.679 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.714 -13.657 -1.341 1.00 0.00 H new ATOM 529 N ASN B 585 -10.558 -14.016 -0.408 1.00 0.00 N ATOM 530 CA ASN B 585 -11.455 -14.966 0.233 1.00 0.00 C ATOM 531 C ASN B 585 -12.905 -14.547 -0.002 1.00 0.00 C ATOM 532 O ASN B 585 -13.825 -15.365 0.028 1.00 0.00 O ATOM 533 CB ASN B 585 -11.153 -15.049 1.714 1.00 0.00 C ATOM 534 CG ASN B 585 -12.031 -16.035 2.448 1.00 0.00 C ATOM 535 OD1 ASN B 585 -12.415 -17.075 1.911 1.00 0.00 O ATOM 536 ND2 ASN B 585 -12.353 -15.711 3.684 1.00 0.00 N ATOM 0 H ASN B 585 -10.056 -13.406 0.237 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.304 -15.954 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -10.109 -15.331 1.850 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -11.276 -14.062 2.159 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -12.943 -16.332 4.237 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -12.012 -14.839 4.088 1.00 0.00 H new ATOM 543 N GLY B 586 -13.095 -13.256 -0.240 1.00 0.00 N ATOM 544 CA GLY B 586 -14.374 -12.758 -0.673 1.00 0.00 C ATOM 545 C GLY B 586 -15.140 -12.055 0.407 1.00 0.00 C ATOM 546 O GLY B 586 -16.342 -11.820 0.277 1.00 0.00 O ATOM 0 H GLY B 586 -12.374 -12.542 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.224 -12.072 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.971 -13.590 -1.048 1.00 0.00 H new ATOM 550 N GLU B 587 -14.456 -11.719 1.477 1.00 0.00 N ATOM 551 CA GLU B 587 -15.039 -10.891 2.499 1.00 0.00 C ATOM 552 C GLU B 587 -15.080 -9.453 2.005 1.00 0.00 C ATOM 553 O GLU B 587 -14.374 -9.087 1.060 1.00 0.00 O ATOM 554 CB GLU B 587 -14.220 -10.969 3.771 1.00 0.00 C ATOM 555 CG GLU B 587 -12.782 -10.651 3.526 1.00 0.00 C ATOM 556 CD GLU B 587 -11.966 -11.854 3.101 1.00 0.00 C ATOM 557 OE1 GLU B 587 -11.435 -12.555 3.988 1.00 0.00 O ATOM 558 OE2 GLU B 587 -11.850 -12.101 1.888 1.00 0.00 O1- ATOM 0 H GLU B 587 -13.495 -12.008 1.659 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.049 -11.241 2.714 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -14.625 -10.275 4.507 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.304 -11.969 4.196 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.713 -9.883 2.755 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.350 -10.230 4.434 1.00 0.00 H new ATOM 565 N LEU B 588 -15.894 -8.651 2.647 1.00 0.00 N ATOM 566 CA LEU B 588 -16.101 -7.276 2.235 1.00 0.00 C ATOM 567 C LEU B 588 -15.892 -6.330 3.410 1.00 0.00 C ATOM 568 O LEU B 588 -16.591 -6.416 4.424 1.00 0.00 O ATOM 569 CB LEU B 588 -17.512 -7.122 1.673 1.00 0.00 C ATOM 570 CG LEU B 588 -17.891 -8.149 0.606 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.359 -8.023 0.256 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.022 -7.985 -0.632 1.00 0.00 C ATOM 0 H LEU B 588 -16.432 -8.928 3.468 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.376 -7.022 1.462 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.225 -7.192 2.494 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.612 -6.123 1.248 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.717 -9.147 1.007 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.616 -8.760 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.962 -8.196 1.147 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.557 -7.022 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.309 -8.726 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.159 -6.985 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.975 -8.127 -0.363 1.00 0.00 H new ATOM 584 N LYS B 589 -14.920 -5.443 3.275 1.00 0.00 N ATOM 585 CA LYS B 589 -14.581 -4.490 4.320 1.00 0.00 C ATOM 586 C LYS B 589 -14.342 -3.119 3.715 1.00 0.00 C ATOM 587 O LYS B 589 -13.967 -3.014 2.552 1.00 0.00 O ATOM 588 CB LYS B 589 -13.314 -4.927 5.033 1.00 0.00 C ATOM 589 CG LYS B 589 -13.400 -6.283 5.713 1.00 0.00 C ATOM 590 CD LYS B 589 -12.027 -6.789 6.124 1.00 0.00 C ATOM 591 CE LYS B 589 -11.335 -5.828 7.073 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.954 -5.826 8.423 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.343 -5.363 2.438 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.410 -4.447 5.027 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.497 -4.949 4.311 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.058 -4.177 5.781 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.040 -6.210 6.592 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.866 -7.001 5.038 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.126 -7.764 6.602 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.411 -6.931 5.236 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -10.283 -6.100 7.158 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.371 -4.821 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -12.270 -4.864 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -12.770 -6.471 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.256 -6.142 9.126 1.00 0.00 H new ATOM 606 N LYS B 590 -14.551 -2.074 4.496 1.00 0.00 N ATOM 607 CA LYS B 590 -14.227 -0.734 4.046 1.00 0.00 C ATOM 608 C LYS B 590 -12.746 -0.457 4.224 1.00 0.00 C ATOM 609 O LYS B 590 -12.107 -1.002 5.127 1.00 0.00 O ATOM 610 CB LYS B 590 -15.080 0.310 4.761 1.00 0.00 C ATOM 611 CG LYS B 590 -16.492 0.353 4.213 1.00 0.00 C ATOM 612 CD LYS B 590 -17.348 1.415 4.868 1.00 0.00 C ATOM 613 CE LYS B 590 -18.665 1.615 4.133 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.484 2.698 4.738 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.940 -2.127 5.437 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.457 -0.666 2.983 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -15.110 0.086 5.827 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.618 1.292 4.654 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.454 0.536 3.139 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.960 -0.621 4.354 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -17.548 1.133 5.902 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.800 2.357 4.895 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.464 1.853 3.089 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -19.231 0.684 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.372 2.800 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.698 2.460 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.955 3.593 4.704 1.00 0.00 H new ATOM 628 N VAL B 591 -12.226 0.401 3.353 1.00 0.00 N ATOM 629 CA VAL B 591 -10.784 0.616 3.202 1.00 0.00 C ATOM 630 C VAL B 591 -10.063 0.781 4.528 1.00 0.00 C ATOM 631 O VAL B 591 -9.060 0.126 4.792 1.00 0.00 O ATOM 632 CB VAL B 591 -10.476 1.894 2.409 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.094 1.807 1.799 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.519 2.177 1.354 1.00 0.00 C ATOM 0 H VAL B 591 -12.793 0.972 2.726 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.437 -0.278 2.684 1.00 0.00 H new ATOM 0 HB VAL B 591 -10.502 2.731 3.106 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -8.886 2.718 1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.354 1.690 2.590 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.046 0.950 1.128 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.258 3.090 0.820 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.561 1.345 0.651 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.492 2.300 1.829 1.00 0.00 H new ATOM 644 N GLU B 592 -10.600 1.645 5.366 1.00 0.00 N ATOM 645 CA GLU B 592 -9.886 2.110 6.541 1.00 0.00 C ATOM 646 C GLU B 592 -9.797 1.044 7.626 1.00 0.00 C ATOM 647 O GLU B 592 -9.014 1.175 8.567 1.00 0.00 O ATOM 648 CB GLU B 592 -10.547 3.379 7.081 1.00 0.00 C ATOM 649 CG GLU B 592 -12.049 3.260 7.294 1.00 0.00 C ATOM 650 CD GLU B 592 -12.670 4.557 7.772 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.832 5.485 6.950 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -12.992 4.657 8.974 1.00 0.00 O ATOM 0 H GLU B 592 -11.533 2.042 5.255 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.863 2.335 6.239 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.077 3.645 8.028 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.354 4.198 6.389 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.523 2.956 6.360 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.249 2.475 8.023 1.00 0.00 H new ATOM 659 N ASP B 593 -10.573 -0.018 7.487 1.00 0.00 N ATOM 660 CA ASP B 593 -10.608 -1.059 8.502 1.00 0.00 C ATOM 661 C ASP B 593 -9.876 -2.308 8.023 1.00 0.00 C ATOM 662 O ASP B 593 -9.765 -3.297 8.748 1.00 0.00 O ATOM 663 CB ASP B 593 -12.060 -1.385 8.865 1.00 0.00 C ATOM 664 CG ASP B 593 -12.178 -2.330 10.046 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.050 -1.866 11.199 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.412 -3.537 9.828 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.184 -0.182 6.687 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.097 -0.695 9.394 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.588 -0.459 9.093 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.554 -1.829 8.001 1.00 0.00 H new ATOM 671 N LEU B 594 -9.374 -2.256 6.801 1.00 0.00 N ATOM 672 CA LEU B 594 -8.577 -3.336 6.265 1.00 0.00 C ATOM 673 C LEU B 594 -7.282 -3.460 7.044 1.00 0.00 C ATOM 674 O LEU B 594 -6.552 -2.481 7.220 1.00 0.00 O ATOM 675 CB LEU B 594 -8.281 -3.083 4.794 1.00 0.00 C ATOM 676 CG LEU B 594 -9.509 -3.047 3.891 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.163 -2.417 2.566 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.053 -4.444 3.671 1.00 0.00 C ATOM 0 H LEU B 594 -9.507 -1.472 6.162 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.134 -4.268 6.357 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.752 -2.134 4.702 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.606 -3.860 4.435 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.276 -2.448 4.381 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.048 -2.397 1.930 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -8.810 -1.399 2.728 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.380 -2.999 2.080 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -10.929 -4.396 3.024 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.288 -5.062 3.201 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.334 -4.880 4.630 1.00 0.00 H new ATOM 690 N LYS B 595 -7.017 -4.652 7.536 1.00 0.00 N ATOM 691 CA LYS B 595 -5.803 -4.906 8.278 1.00 0.00 C ATOM 692 C LYS B 595 -4.825 -5.689 7.425 1.00 0.00 C ATOM 693 O LYS B 595 -5.205 -6.242 6.389 1.00 0.00 O ATOM 694 CB LYS B 595 -6.102 -5.665 9.569 1.00 0.00 C ATOM 695 CG LYS B 595 -7.097 -4.957 10.474 1.00 0.00 C ATOM 696 CD LYS B 595 -6.582 -3.602 10.921 1.00 0.00 C ATOM 697 CE LYS B 595 -7.597 -2.884 11.792 1.00 0.00 C ATOM 698 NZ LYS B 595 -7.109 -1.547 12.215 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.629 -5.462 7.434 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.356 -3.947 8.542 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.490 -6.652 9.319 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.171 -5.817 10.115 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.043 -4.831 9.947 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.299 -5.576 11.348 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.651 -3.729 11.474 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.353 -2.992 10.047 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.533 -2.773 11.244 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.813 -3.488 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -7.829 -1.087 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -6.229 -1.655 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -6.927 -0.962 11.375 1.00 0.00 H new ATOM 712 N THR B 596 -3.576 -5.741 7.846 1.00 0.00 N ATOM 713 CA THR B 596 -2.547 -6.426 7.083 1.00 0.00 C ATOM 714 C THR B 596 -2.922 -7.891 6.853 1.00 0.00 C ATOM 715 O THR B 596 -2.751 -8.413 5.749 1.00 0.00 O ATOM 716 CB THR B 596 -1.176 -6.327 7.789 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.150 -6.918 6.986 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.210 -7.012 9.141 1.00 0.00 C ATOM 0 H THR B 596 -3.248 -5.317 8.714 1.00 0.00 H new ATOM 0 HA THR B 596 -2.470 -5.934 6.113 1.00 0.00 H new ATOM 0 HB THR B 596 -0.957 -5.269 7.933 1.00 0.00 H new ATOM 0 HG1 THR B 596 -0.544 -7.276 6.163 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.233 -6.928 9.616 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.962 -6.537 9.771 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.460 -8.065 9.009 1.00 0.00 H new ATOM 726 N GLU B 597 -3.484 -8.526 7.883 1.00 0.00 N ATOM 727 CA GLU B 597 -3.823 -9.944 7.837 1.00 0.00 C ATOM 728 C GLU B 597 -4.835 -10.235 6.743 1.00 0.00 C ATOM 729 O GLU B 597 -4.831 -11.316 6.157 1.00 0.00 O ATOM 730 CB GLU B 597 -4.384 -10.403 9.176 1.00 0.00 C ATOM 731 CG GLU B 597 -3.404 -10.286 10.327 1.00 0.00 C ATOM 732 CD GLU B 597 -4.002 -10.753 11.634 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.098 -11.981 11.840 1.00 0.00 O ATOM 734 OE2 GLU B 597 -4.380 -9.898 12.458 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.715 -8.072 8.767 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.906 -10.491 7.619 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.272 -9.815 9.407 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.703 -11.441 9.088 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.514 -10.875 10.106 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.084 -9.249 10.426 1.00 0.00 H new ATOM 741 N ASP B 598 -5.690 -9.263 6.466 1.00 0.00 N ATOM 742 CA ASP B 598 -6.726 -9.423 5.460 1.00 0.00 C ATOM 743 C ASP B 598 -6.104 -9.626 4.087 1.00 0.00 C ATOM 744 O ASP B 598 -6.461 -10.557 3.360 1.00 0.00 O ATOM 745 CB ASP B 598 -7.657 -8.209 5.443 1.00 0.00 C ATOM 746 CG ASP B 598 -8.457 -8.064 6.723 1.00 0.00 C ATOM 747 OD1 ASP B 598 -9.516 -8.712 6.845 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.034 -7.301 7.616 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.686 -8.353 6.926 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.314 -10.305 5.714 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.067 -7.306 5.285 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.342 -8.294 4.599 1.00 0.00 H new ATOM 753 N PHE B 599 -5.164 -8.760 3.741 1.00 0.00 N ATOM 754 CA PHE B 599 -4.473 -8.860 2.464 1.00 0.00 C ATOM 755 C PHE B 599 -3.507 -10.028 2.471 1.00 0.00 C ATOM 756 O PHE B 599 -3.353 -10.714 1.459 1.00 0.00 O ATOM 757 CB PHE B 599 -3.755 -7.555 2.121 1.00 0.00 C ATOM 758 CG PHE B 599 -4.701 -6.474 1.677 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.727 -6.044 2.503 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.583 -5.908 0.421 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.610 -5.071 2.084 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.467 -4.936 -0.004 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.480 -4.515 0.829 1.00 0.00 C ATOM 0 H PHE B 599 -4.862 -7.981 4.326 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.218 -9.039 1.689 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.199 -7.211 2.993 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -3.027 -7.742 1.332 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.837 -6.476 3.487 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.789 -6.230 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.404 -4.744 2.739 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.364 -4.506 -0.989 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.170 -3.752 0.500 1.00 0.00 H new ATOM 773 N ILE B 600 -2.861 -10.256 3.615 1.00 0.00 N ATOM 774 CA ILE B 600 -2.006 -11.416 3.787 1.00 0.00 C ATOM 775 C ILE B 600 -2.758 -12.688 3.422 1.00 0.00 C ATOM 776 O ILE B 600 -2.356 -13.412 2.515 1.00 0.00 O ATOM 777 CB ILE B 600 -1.498 -11.508 5.238 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.500 -10.384 5.507 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.872 -12.868 5.519 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.044 -10.300 6.946 1.00 0.00 C ATOM 0 H ILE B 600 -2.918 -9.649 4.433 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.149 -11.307 3.123 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.348 -11.396 5.911 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.372 -10.525 4.868 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.953 -9.434 5.224 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.523 -12.902 6.551 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.615 -13.650 5.361 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.030 -13.027 4.846 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.663 -9.478 7.056 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.905 -10.127 7.591 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.440 -11.235 7.230 1.00 0.00 H new ATOM 792 N GLN B 601 -3.877 -12.920 4.096 1.00 0.00 N ATOM 793 CA GLN B 601 -4.680 -14.103 3.850 1.00 0.00 C ATOM 794 C GLN B 601 -5.133 -14.166 2.406 1.00 0.00 C ATOM 795 O GLN B 601 -5.030 -15.209 1.779 1.00 0.00 O ATOM 796 CB GLN B 601 -5.885 -14.152 4.784 1.00 0.00 C ATOM 797 CG GLN B 601 -5.510 -14.528 6.200 1.00 0.00 C ATOM 798 CD GLN B 601 -6.709 -14.638 7.118 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.138 -13.656 7.722 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.249 -15.837 7.240 1.00 0.00 N ATOM 0 H GLN B 601 -4.247 -12.301 4.818 1.00 0.00 H new ATOM 0 HA GLN B 601 -4.053 -14.972 4.051 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.376 -13.179 4.789 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.608 -14.872 4.400 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.979 -15.480 6.189 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.821 -13.783 6.598 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.863 -16.626 6.721 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.052 -15.974 7.853 1.00 0.00 H new ATOM 809 N SER B 602 -5.607 -13.049 1.872 1.00 0.00 N ATOM 810 CA SER B 602 -6.069 -13.010 0.492 1.00 0.00 C ATOM 811 C SER B 602 -5.016 -13.561 -0.479 1.00 0.00 C ATOM 812 O SER B 602 -5.334 -14.347 -1.373 1.00 0.00 O ATOM 813 CB SER B 602 -6.445 -11.582 0.105 1.00 0.00 C ATOM 814 OG SER B 602 -7.485 -11.094 0.930 1.00 0.00 O ATOM 0 H SER B 602 -5.682 -12.162 2.370 1.00 0.00 H new ATOM 0 HA SER B 602 -6.949 -13.649 0.420 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.572 -10.935 0.192 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.759 -11.554 -0.938 1.00 0.00 H new ATOM 0 HG SER B 602 -7.148 -10.970 1.842 1.00 0.00 H new ATOM 820 N ALA B 603 -3.763 -13.172 -0.290 1.00 0.00 N ATOM 821 CA ALA B 603 -2.696 -13.623 -1.172 1.00 0.00 C ATOM 822 C ALA B 603 -2.277 -15.057 -0.853 1.00 0.00 C ATOM 823 O ALA B 603 -1.848 -15.799 -1.735 1.00 0.00 O ATOM 824 CB ALA B 603 -1.505 -12.691 -1.069 1.00 0.00 C ATOM 0 H ALA B 603 -3.462 -12.550 0.460 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.075 -13.607 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.713 -13.038 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.805 -11.684 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.139 -12.680 -0.042 1.00 0.00 H new ATOM 830 N GLU B 604 -2.408 -15.440 0.409 1.00 0.00 N ATOM 831 CA GLU B 604 -2.020 -16.772 0.861 1.00 0.00 C ATOM 832 C GLU B 604 -3.010 -17.833 0.402 1.00 0.00 C ATOM 833 O GLU B 604 -2.623 -18.946 0.046 1.00 0.00 O ATOM 834 CB GLU B 604 -1.908 -16.769 2.374 1.00 0.00 C ATOM 835 CG GLU B 604 -0.785 -15.881 2.867 1.00 0.00 C ATOM 836 CD GLU B 604 0.575 -16.516 2.675 1.00 0.00 C ATOM 837 OE1 GLU B 604 1.090 -16.504 1.537 1.00 0.00 O1- ATOM 838 OE2 GLU B 604 1.133 -17.041 3.661 1.00 0.00 O ATOM 0 H GLU B 604 -2.783 -14.842 1.145 1.00 0.00 H new ATOM 0 HA GLU B 604 -1.055 -17.021 0.419 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.851 -16.431 2.805 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.743 -17.788 2.726 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.817 -14.929 2.336 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.935 -15.662 3.924 1.00 0.00 H new ATOM 845 N ILE B 605 -4.288 -17.478 0.408 1.00 0.00 N ATOM 846 CA ILE B 605 -5.343 -18.356 -0.085 1.00 0.00 C ATOM 847 C ILE B 605 -5.160 -18.588 -1.589 1.00 0.00 C ATOM 848 O ILE B 605 -5.704 -19.529 -2.167 1.00 0.00 O ATOM 849 CB ILE B 605 -6.737 -17.760 0.236 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.830 -17.494 1.743 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.851 -18.696 -0.210 1.00 0.00 C ATOM 852 CD1 ILE B 605 -8.009 -16.642 2.163 1.00 0.00 C ATOM 0 H ILE B 605 -4.622 -16.578 0.753 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.277 -19.320 0.419 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.858 -16.825 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.886 -18.450 2.264 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.912 -17.006 2.069 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.817 -18.251 0.028 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.781 -18.858 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.753 -19.650 0.308 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.993 -16.507 3.244 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.947 -15.669 1.675 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.936 -17.136 1.873 1.00 0.00 H new ATOM 864 N SER B 606 -4.370 -17.690 -2.188 1.00 0.00 N ATOM 865 CA SER B 606 -3.797 -17.836 -3.533 1.00 0.00 C ATOM 866 C SER B 606 -4.828 -17.788 -4.660 1.00 0.00 C ATOM 867 O SER B 606 -6.019 -18.024 -4.459 1.00 0.00 O ATOM 868 CB SER B 606 -2.936 -19.111 -3.640 1.00 0.00 C ATOM 869 OG SER B 606 -3.710 -20.296 -3.557 1.00 0.00 O ATOM 0 H SER B 606 -4.103 -16.815 -1.738 1.00 0.00 H new ATOM 0 HA SER B 606 -3.161 -16.962 -3.669 1.00 0.00 H new ATOM 0 HB2 SER B 606 -2.393 -19.101 -4.585 1.00 0.00 H new ATOM 0 HB3 SER B 606 -2.191 -19.111 -2.844 1.00 0.00 H new ATOM 0 HG SER B 606 -4.647 -20.063 -3.391 1.00 0.00 H new ATOM 875 N ASN B 607 -4.324 -17.450 -5.845 1.00 0.00 N ATOM 876 CA ASN B 607 -5.098 -17.420 -7.083 1.00 0.00 C ATOM 877 C ASN B 607 -4.211 -16.832 -8.171 1.00 0.00 C ATOM 878 O ASN B 607 -3.811 -17.515 -9.113 1.00 0.00 O ATOM 879 CB ASN B 607 -6.370 -16.571 -6.946 1.00 0.00 C ATOM 880 CG ASN B 607 -7.466 -17.008 -7.906 1.00 0.00 C ATOM 881 OD1 ASN B 607 -8.317 -17.822 -7.553 1.00 0.00 O ATOM 882 ND2 ASN B 607 -7.455 -16.478 -9.119 1.00 0.00 N ATOM 0 H ASN B 607 -3.348 -17.184 -5.973 1.00 0.00 H new ATOM 0 HA ASN B 607 -5.412 -18.435 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -6.739 -16.638 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -6.126 -15.525 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -8.169 -16.742 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -6.732 -15.805 -9.375 1.00 0.00 H new ATOM 889 N ASP B 608 -3.898 -15.552 -8.009 1.00 0.00 N ATOM 890 CA ASP B 608 -2.959 -14.847 -8.881 1.00 0.00 C ATOM 891 C ASP B 608 -2.085 -13.916 -8.049 1.00 0.00 C ATOM 892 O ASP B 608 -1.259 -13.179 -8.582 1.00 0.00 O ATOM 893 CB ASP B 608 -3.705 -14.010 -9.927 1.00 0.00 C ATOM 894 CG ASP B 608 -4.590 -14.834 -10.836 1.00 0.00 C ATOM 895 OD1 ASP B 608 -4.062 -15.503 -11.744 1.00 0.00 O ATOM 896 OD2 ASP B 608 -5.826 -14.803 -10.655 1.00 0.00 O1- ATOM 0 H ASP B 608 -4.288 -14.970 -7.268 1.00 0.00 H new ATOM 0 HA ASP B 608 -2.346 -15.592 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.315 -13.264 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -2.979 -13.468 -10.533 1.00 0.00 H new ATOM 901 N LEU B 609 -2.283 -13.942 -6.736 1.00 0.00 N ATOM 902 CA LEU B 609 -1.672 -12.958 -5.858 1.00 0.00 C ATOM 903 C LEU B 609 -0.608 -13.568 -4.959 1.00 0.00 C ATOM 904 O LEU B 609 -0.631 -14.765 -4.673 1.00 0.00 O ATOM 905 CB LEU B 609 -2.737 -12.316 -4.978 1.00 0.00 C ATOM 906 CG LEU B 609 -3.948 -11.736 -5.706 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.546 -11.057 -6.998 1.00 0.00 C ATOM 908 CD2 LEU B 609 -5.012 -12.799 -5.944 1.00 0.00 C ATOM 0 H LEU B 609 -2.861 -14.634 -6.259 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.197 -12.214 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.089 -13.062 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.270 -11.519 -4.400 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.384 -10.974 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.432 -10.656 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.852 -10.245 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -3.063 -11.781 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.861 -12.354 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.595 -13.602 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.344 -13.203 -4.987 1.00 0.00 H new ATOM 920 N LYS B 610 0.311 -12.724 -4.512 1.00 0.00 N ATOM 921 CA LYS B 610 1.304 -13.104 -3.517 1.00 0.00 C ATOM 922 C LYS B 610 1.809 -11.859 -2.785 1.00 0.00 C ATOM 923 O LYS B 610 1.978 -10.799 -3.397 1.00 0.00 O ATOM 924 CB LYS B 610 2.464 -13.866 -4.173 1.00 0.00 C ATOM 925 CG LYS B 610 3.130 -13.116 -5.313 1.00 0.00 C ATOM 926 CD LYS B 610 4.256 -13.921 -5.941 1.00 0.00 C ATOM 927 CE LYS B 610 3.738 -15.171 -6.636 1.00 0.00 C ATOM 928 NZ LYS B 610 4.826 -15.918 -7.321 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.389 -11.757 -4.828 1.00 0.00 H new ATOM 0 HA LYS B 610 0.839 -13.770 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.213 -14.091 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.093 -14.820 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.387 -12.877 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.523 -12.169 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.789 -13.300 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.973 -14.204 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.257 -15.820 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS B 610 2.976 -14.892 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 4.431 -16.762 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 5.268 -15.308 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 5.541 -16.207 -6.623 1.00 0.00 H new ATOM 942 N ILE B 611 2.004 -11.989 -1.476 1.00 0.00 N ATOM 943 CA ILE B 611 2.470 -10.887 -0.634 1.00 0.00 C ATOM 944 C ILE B 611 3.993 -10.776 -0.698 1.00 0.00 C ATOM 945 O ILE B 611 4.689 -11.759 -0.958 1.00 0.00 O ATOM 946 CB ILE B 611 2.034 -11.094 0.844 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.505 -11.096 0.972 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.630 -10.040 1.762 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.111 -9.750 1.323 1.00 0.00 C ATOM 0 H ILE B 611 1.844 -12.859 -0.968 1.00 0.00 H new ATOM 0 HA ILE B 611 2.021 -9.968 -1.010 1.00 0.00 H new ATOM 0 HB ILE B 611 2.416 -12.067 1.154 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.077 -11.441 0.031 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.220 -11.820 1.736 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.301 -10.221 2.785 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.718 -10.091 1.716 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.299 -9.051 1.444 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.194 -9.852 1.391 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.282 -9.408 2.280 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.137 -9.024 0.549 1.00 0.00 H new ATOM 961 N ASP B 612 4.491 -9.576 -0.471 1.00 0.00 N ATOM 962 CA ASP B 612 5.921 -9.324 -0.393 1.00 0.00 C ATOM 963 C ASP B 612 6.217 -8.519 0.860 1.00 0.00 C ATOM 964 O ASP B 612 5.337 -7.828 1.376 1.00 0.00 O ATOM 965 CB ASP B 612 6.412 -8.562 -1.622 1.00 0.00 C ATOM 966 CG ASP B 612 7.905 -8.303 -1.593 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.680 -9.279 -1.536 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 8.306 -7.121 -1.611 1.00 0.00 O ATOM 0 H ASP B 612 3.916 -8.745 -0.335 1.00 0.00 H new ATOM 0 HA ASP B 612 6.443 -10.280 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.163 -9.129 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP B 612 5.884 -7.611 -1.689 1.00 0.00 H new ATOM 973 N SER B 613 7.441 -8.607 1.346 1.00 0.00 N ATOM 974 CA SER B 613 7.832 -7.904 2.552 1.00 0.00 C ATOM 975 C SER B 613 9.194 -7.236 2.378 1.00 0.00 C ATOM 976 O SER B 613 10.228 -7.907 2.339 1.00 0.00 O ATOM 977 CB SER B 613 7.844 -8.880 3.731 1.00 0.00 C ATOM 978 OG SER B 613 8.451 -10.111 3.364 1.00 0.00 O ATOM 0 H SER B 613 8.184 -9.161 0.921 1.00 0.00 H new ATOM 0 HA SER B 613 7.107 -7.116 2.754 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.385 -8.439 4.568 1.00 0.00 H new ATOM 0 HB3 SER B 613 6.824 -9.060 4.070 1.00 0.00 H new ATOM 0 HG SER B 613 9.274 -9.933 2.862 1.00 0.00 H new ATOM 984 N SER B 614 9.184 -5.914 2.267 1.00 0.00 N ATOM 985 CA SER B 614 10.406 -5.144 2.076 1.00 0.00 C ATOM 986 C SER B 614 10.453 -3.962 3.054 1.00 0.00 C ATOM 987 O SER B 614 9.540 -3.137 3.082 1.00 0.00 O ATOM 988 CB SER B 614 10.480 -4.657 0.628 1.00 0.00 C ATOM 989 OG SER B 614 10.425 -5.752 -0.274 1.00 0.00 O ATOM 0 H SER B 614 8.336 -5.349 2.306 1.00 0.00 H new ATOM 0 HA SER B 614 11.268 -5.779 2.278 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.656 -3.972 0.427 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.403 -4.099 0.474 1.00 0.00 H new ATOM 0 HG SER B 614 9.493 -5.921 -0.527 1.00 0.00 H new ATOM 995 N THR B 615 11.502 -3.896 3.869 1.00 0.00 N ATOM 996 CA THR B 615 11.619 -2.850 4.883 1.00 0.00 C ATOM 997 C THR B 615 12.184 -1.568 4.291 1.00 0.00 C ATOM 998 O THR B 615 13.290 -1.561 3.761 1.00 0.00 O ATOM 999 CB THR B 615 12.538 -3.281 6.047 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.149 -4.565 6.541 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.489 -2.265 7.184 1.00 0.00 C ATOM 0 H THR B 615 12.282 -4.553 3.848 1.00 0.00 H new ATOM 0 HA THR B 615 10.610 -2.677 5.258 1.00 0.00 H new ATOM 0 HB THR B 615 13.557 -3.334 5.665 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.741 -4.826 7.277 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.144 -2.591 7.992 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.820 -1.293 6.818 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.468 -2.184 7.556 1.00 0.00 H new ATOM 1009 N VAL B 616 11.424 -0.487 4.374 1.00 0.00 N ATOM 1010 CA VAL B 616 11.932 0.813 3.990 1.00 0.00 C ATOM 1011 C VAL B 616 13.071 1.239 4.914 1.00 0.00 C ATOM 1012 O VAL B 616 12.902 1.336 6.131 1.00 0.00 O ATOM 1013 CB VAL B 616 10.814 1.880 3.974 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.883 1.728 5.154 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.402 3.278 3.959 1.00 0.00 C ATOM 0 H VAL B 616 10.458 -0.487 4.703 1.00 0.00 H new ATOM 0 HA VAL B 616 12.320 0.729 2.975 1.00 0.00 H new ATOM 0 HB VAL B 616 10.237 1.727 3.062 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.110 2.495 5.109 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.418 0.743 5.126 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.448 1.836 6.080 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.596 4.012 3.948 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.014 3.425 4.849 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.019 3.404 3.069 1.00 0.00 H new ATOM 1025 N GLU B 617 14.233 1.461 4.325 1.00 0.00 N ATOM 1026 CA GLU B 617 15.411 1.873 5.063 1.00 0.00 C ATOM 1027 C GLU B 617 15.608 3.379 4.983 1.00 0.00 C ATOM 1028 O GLU B 617 16.336 3.957 5.792 1.00 0.00 O ATOM 1029 CB GLU B 617 16.658 1.159 4.551 1.00 0.00 C ATOM 1030 CG GLU B 617 16.597 -0.348 4.687 1.00 0.00 C ATOM 1031 CD GLU B 617 17.972 -0.989 4.692 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.632 -1.002 3.633 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.396 -1.483 5.762 1.00 0.00 O1- ATOM 0 H GLU B 617 14.385 1.360 3.321 1.00 0.00 H new ATOM 0 HA GLU B 617 15.255 1.596 6.106 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.807 1.414 3.502 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.527 1.529 5.095 1.00 0.00 H new ATOM 0 HG2 GLU B 617 16.077 -0.605 5.610 1.00 0.00 H new ATOM 0 HG3 GLU B 617 16.011 -0.760 3.865 1.00 0.00 H new ATOM 1040 N ARG B 618 14.988 4.018 3.997 1.00 0.00 N ATOM 1041 CA ARG B 618 15.139 5.455 3.841 1.00 0.00 C ATOM 1042 C ARG B 618 13.991 6.039 3.029 1.00 0.00 C ATOM 1043 O ARG B 618 13.326 5.328 2.278 1.00 0.00 O ATOM 1044 CB ARG B 618 16.473 5.771 3.167 1.00 0.00 C ATOM 1045 CG ARG B 618 16.874 7.232 3.263 1.00 0.00 C ATOM 1046 CD ARG B 618 18.066 7.543 2.382 1.00 0.00 C ATOM 1047 NE ARG B 618 19.206 6.676 2.658 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.114 6.343 1.744 1.00 0.00 C ATOM 1049 NH1 ARG B 618 19.985 6.767 0.490 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.139 5.572 2.076 1.00 0.00 N ATOM 0 H ARG B 618 14.386 3.570 3.306 1.00 0.00 H new ATOM 0 HA ARG B 618 15.121 5.910 4.831 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.253 5.159 3.620 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.415 5.487 2.116 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.032 7.861 2.972 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.112 7.477 4.298 1.00 0.00 H new ATOM 0 HD2 ARG B 618 17.778 7.437 1.336 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.360 8.582 2.528 1.00 0.00 H new ATOM 0 HE ARG B 618 19.313 6.305 3.602 1.00 0.00 H new ATOM 0 HH11 ARG B 618 19.189 7.348 0.228 1.00 0.00 H new ATOM 0 HH12 ARG B 618 20.682 6.511 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.233 5.233 3.033 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.834 5.318 1.374 1.00 0.00 H new ATOM 1064 N ILE B 619 13.773 7.336 3.187 1.00 0.00 N ATOM 1065 CA ILE B 619 12.713 8.047 2.490 1.00 0.00 C ATOM 1066 C ILE B 619 13.221 9.418 2.083 1.00 0.00 C ATOM 1067 O ILE B 619 13.586 10.231 2.933 1.00 0.00 O ATOM 1068 CB ILE B 619 11.453 8.193 3.371 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.791 6.832 3.559 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.470 9.182 2.752 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.677 6.837 4.579 1.00 0.00 C ATOM 0 H ILE B 619 14.329 7.927 3.805 1.00 0.00 H new ATOM 0 HA ILE B 619 12.433 7.472 1.607 1.00 0.00 H new ATOM 0 HB ILE B 619 11.753 8.580 4.345 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.394 6.495 2.601 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.547 6.108 3.863 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.590 9.268 3.390 1.00 0.00 H new ATOM 0 HG22 ILE B 619 10.947 10.158 2.657 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.170 8.828 1.766 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.253 5.836 4.660 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.072 7.143 5.548 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.901 7.536 4.267 1.00 0.00 H new ATOM 1083 N GLU B 620 13.270 9.662 0.788 1.00 0.00 N ATOM 1084 CA GLU B 620 13.878 10.879 0.279 1.00 0.00 C ATOM 1085 C GLU B 620 12.907 11.659 -0.597 1.00 0.00 C ATOM 1086 O GLU B 620 12.203 11.087 -1.428 1.00 0.00 O ATOM 1087 CB GLU B 620 15.141 10.534 -0.508 1.00 0.00 C ATOM 1088 CG GLU B 620 16.085 9.621 0.254 1.00 0.00 C ATOM 1089 CD GLU B 620 17.348 9.297 -0.518 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.036 10.240 -0.961 1.00 0.00 O ATOM 1091 OE2 GLU B 620 17.678 8.103 -0.663 1.00 0.00 O1- ATOM 0 H GLU B 620 12.899 9.038 0.071 1.00 0.00 H new ATOM 0 HA GLU B 620 14.141 11.511 1.127 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.859 10.055 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.664 11.455 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.354 10.093 1.199 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.567 8.694 0.498 1.00 0.00 H new ATOM 1098 N ASP B 621 12.870 12.967 -0.396 1.00 0.00 N ATOM 1099 CA ASP B 621 12.044 13.845 -1.210 1.00 0.00 C ATOM 1100 C ASP B 621 12.714 14.115 -2.547 1.00 0.00 C ATOM 1101 O ASP B 621 13.918 14.354 -2.616 1.00 0.00 O ATOM 1102 CB ASP B 621 11.762 15.156 -0.474 1.00 0.00 C ATOM 1103 CG ASP B 621 11.479 16.316 -1.410 1.00 0.00 C ATOM 1104 OD1 ASP B 621 10.427 16.308 -2.083 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 12.317 17.237 -1.486 1.00 0.00 O ATOM 0 H ASP B 621 13.406 13.446 0.328 1.00 0.00 H new ATOM 0 HA ASP B 621 11.092 13.347 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.909 15.017 0.190 1.00 0.00 H new ATOM 0 HB3 ASP B 621 12.618 15.404 0.154 1.00 0.00 H new ATOM 1110 N SER B 622 11.922 14.081 -3.601 1.00 0.00 N ATOM 1111 CA SER B 622 12.448 14.208 -4.950 1.00 0.00 C ATOM 1112 C SER B 622 12.200 15.616 -5.495 1.00 0.00 C ATOM 1113 O SER B 622 12.464 15.889 -6.668 1.00 0.00 O ATOM 1114 CB SER B 622 11.806 13.157 -5.862 1.00 0.00 C ATOM 1115 OG SER B 622 12.596 12.916 -7.018 1.00 0.00 O ATOM 0 H SER B 622 10.910 13.966 -3.551 1.00 0.00 H new ATOM 0 HA SER B 622 13.525 14.040 -4.924 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.675 12.226 -5.310 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.813 13.492 -6.162 1.00 0.00 H new ATOM 0 HG SER B 622 12.288 12.097 -7.460 1.00 0.00 H new ATOM 1121 N HIS B 623 11.681 16.498 -4.631 1.00 0.00 N ATOM 1122 CA HIS B 623 11.402 17.903 -4.974 1.00 0.00 C ATOM 1123 C HIS B 623 10.175 18.027 -5.872 1.00 0.00 C ATOM 1124 O HIS B 623 9.400 18.975 -5.744 1.00 0.00 O ATOM 1125 CB HIS B 623 12.614 18.583 -5.627 1.00 0.00 C ATOM 1126 CG HIS B 623 13.765 18.803 -4.693 1.00 0.00 C ATOM 1127 ND1 HIS B 623 14.320 20.045 -4.463 1.00 0.00 N ATOM 1128 CD2 HIS B 623 14.482 17.931 -3.942 1.00 0.00 C ATOM 1129 CE1 HIS B 623 15.325 19.925 -3.615 1.00 0.00 C ATOM 1130 NE2 HIS B 623 15.442 18.656 -3.284 1.00 0.00 N ATOM 0 H HIS B 623 11.441 16.258 -3.669 1.00 0.00 H new ATOM 0 HA HIS B 623 11.193 18.419 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS B 623 12.951 17.974 -6.466 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.302 19.544 -6.036 1.00 0.00 H new ATOM 0 HD2 HIS B 623 14.326 16.864 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS B 623 15.946 20.731 -3.254 1.00 0.00 H new ATOM 0 HE2 HIS B 623 16.136 18.274 -2.641 1.00 0.00 H new ATOM 1139 N SER B 624 10.019 17.074 -6.780 1.00 0.00 N ATOM 1140 CA SER B 624 8.831 16.973 -7.611 1.00 0.00 C ATOM 1141 C SER B 624 7.579 16.957 -6.733 1.00 0.00 C ATOM 1142 O SER B 624 7.598 16.402 -5.632 1.00 0.00 O ATOM 1143 CB SER B 624 8.916 15.698 -8.448 1.00 0.00 C ATOM 1144 OG SER B 624 10.106 15.670 -9.221 1.00 0.00 O ATOM 0 H SER B 624 10.714 16.349 -6.960 1.00 0.00 H new ATOM 0 HA SER B 624 8.771 17.835 -8.276 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.884 14.827 -7.793 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.050 15.634 -9.107 1.00 0.00 H new ATOM 0 HG SER B 624 10.136 14.843 -9.746 1.00 0.00 H new ATOM 1150 N PRO B 625 6.487 17.585 -7.209 1.00 0.00 N ATOM 1151 CA PRO B 625 5.249 17.738 -6.441 1.00 0.00 C ATOM 1152 C PRO B 625 4.777 16.454 -5.789 1.00 0.00 C ATOM 1153 O PRO B 625 4.314 15.525 -6.456 1.00 0.00 O ATOM 1154 CB PRO B 625 4.235 18.200 -7.477 1.00 0.00 C ATOM 1155 CG PRO B 625 5.037 18.872 -8.537 1.00 0.00 C ATOM 1156 CD PRO B 625 6.388 18.206 -8.541 1.00 0.00 C ATOM 0 HA PRO B 625 5.391 18.431 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.674 17.358 -7.882 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.509 18.885 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.554 18.774 -9.509 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.131 19.939 -8.334 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.463 17.462 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.188 18.928 -8.704 1.00 0.00 H new ATOM 1164 N GLY B 626 4.882 16.440 -4.472 1.00 0.00 N ATOM 1165 CA GLY B 626 4.444 15.314 -3.681 1.00 0.00 C ATOM 1166 C GLY B 626 5.144 14.025 -4.044 1.00 0.00 C ATOM 1167 O GLY B 626 4.526 12.969 -4.016 1.00 0.00 O ATOM 0 H GLY B 626 5.273 17.208 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.617 15.530 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.369 15.185 -3.808 1.00 0.00 H new ATOM 1171 N VAL B 627 6.420 14.100 -4.388 1.00 0.00 N ATOM 1172 CA VAL B 627 7.155 12.907 -4.784 1.00 0.00 C ATOM 1173 C VAL B 627 8.224 12.540 -3.767 1.00 0.00 C ATOM 1174 O VAL B 627 9.104 13.342 -3.443 1.00 0.00 O ATOM 1175 CB VAL B 627 7.810 13.070 -6.170 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.503 11.783 -6.598 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.768 13.477 -7.189 1.00 0.00 C ATOM 0 H VAL B 627 6.964 14.963 -4.402 1.00 0.00 H new ATOM 0 HA VAL B 627 6.421 12.102 -4.833 1.00 0.00 H new ATOM 0 HB VAL B 627 8.566 13.853 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.957 11.923 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.276 11.528 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.772 10.976 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.239 13.590 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.995 12.710 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.318 14.424 -6.891 1.00 0.00 H new ATOM 1187 N ALA B 628 8.138 11.319 -3.274 1.00 0.00 N ATOM 1188 CA ALA B 628 9.124 10.793 -2.359 1.00 0.00 C ATOM 1189 C ALA B 628 9.530 9.399 -2.784 1.00 0.00 C ATOM 1190 O ALA B 628 8.686 8.565 -3.112 1.00 0.00 O ATOM 1191 CB ALA B 628 8.587 10.777 -0.938 1.00 0.00 C ATOM 0 H ALA B 628 7.385 10.669 -3.497 1.00 0.00 H new ATOM 0 HA ALA B 628 10.000 11.441 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.347 10.377 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.332 11.792 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.696 10.150 -0.893 1.00 0.00 H new ATOM 1197 N VAL B 629 10.819 9.156 -2.802 1.00 0.00 N ATOM 1198 CA VAL B 629 11.329 7.843 -3.114 1.00 0.00 C ATOM 1199 C VAL B 629 11.530 7.053 -1.839 1.00 0.00 C ATOM 1200 O VAL B 629 12.271 7.458 -0.938 1.00 0.00 O ATOM 1201 CB VAL B 629 12.632 7.900 -3.942 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.450 9.107 -3.548 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.448 6.623 -3.776 1.00 0.00 C ATOM 0 H VAL B 629 11.536 9.854 -2.603 1.00 0.00 H new ATOM 0 HA VAL B 629 10.589 7.338 -3.735 1.00 0.00 H new ATOM 0 HB VAL B 629 12.361 7.988 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.365 9.135 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.872 10.013 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.703 9.045 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.359 6.693 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.709 6.492 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.860 5.769 -4.113 1.00 0.00 H new ATOM 1213 N ILE B 630 10.829 5.942 -1.756 1.00 0.00 N ATOM 1214 CA ILE B 630 10.912 5.081 -0.608 1.00 0.00 C ATOM 1215 C ILE B 630 11.951 4.002 -0.868 1.00 0.00 C ATOM 1216 O ILE B 630 11.752 3.126 -1.712 1.00 0.00 O ATOM 1217 CB ILE B 630 9.553 4.429 -0.298 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.412 5.441 -0.440 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.572 3.855 1.104 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.497 6.597 0.529 1.00 0.00 C ATOM 0 H ILE B 630 10.190 5.616 -2.481 1.00 0.00 H new ATOM 0 HA ILE B 630 11.201 5.681 0.255 1.00 0.00 H new ATOM 0 HB ILE B 630 9.382 3.627 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.410 5.832 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.462 4.926 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.609 3.394 1.321 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.359 3.104 1.179 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.762 4.653 1.821 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.655 7.270 0.367 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.467 6.218 1.551 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.430 7.138 0.369 1.00 0.00 H new ATOM 1232 N GLN B 631 13.071 4.086 -0.174 1.00 0.00 N ATOM 1233 CA GLN B 631 14.151 3.133 -0.360 1.00 0.00 C ATOM 1234 C GLN B 631 13.875 1.879 0.450 1.00 0.00 C ATOM 1235 O GLN B 631 13.923 1.906 1.679 1.00 0.00 O ATOM 1236 CB GLN B 631 15.487 3.744 0.059 1.00 0.00 C ATOM 1237 CG GLN B 631 16.669 2.813 -0.148 1.00 0.00 C ATOM 1238 CD GLN B 631 17.977 3.425 0.314 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.665 4.096 -0.452 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.331 3.188 1.567 1.00 0.00 N ATOM 0 H GLN B 631 13.257 4.805 0.525 1.00 0.00 H new ATOM 0 HA GLN B 631 14.208 2.873 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.652 4.660 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.435 4.025 1.111 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.495 1.884 0.394 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.745 2.556 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.730 2.625 2.169 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.205 3.568 1.931 1.00 0.00 H new ATOM 1249 N PHE B 632 13.580 0.791 -0.243 1.00 0.00 N ATOM 1250 CA PHE B 632 13.237 -0.467 0.407 1.00 0.00 C ATOM 1251 C PHE B 632 14.400 -1.443 0.366 1.00 0.00 C ATOM 1252 O PHE B 632 15.176 -1.459 -0.585 1.00 0.00 O ATOM 1253 CB PHE B 632 12.025 -1.112 -0.266 1.00 0.00 C ATOM 1254 CG PHE B 632 10.725 -0.397 -0.026 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.095 -0.476 1.205 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.123 0.332 -1.037 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.889 0.159 1.424 1.00 0.00 C ATOM 1258 CE2 PHE B 632 8.917 0.973 -0.823 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.298 0.884 0.408 1.00 0.00 C ATOM 0 H PHE B 632 13.571 0.753 -1.262 1.00 0.00 H new ATOM 0 HA PHE B 632 13.000 -0.238 1.446 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.205 -1.161 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.932 -2.138 0.089 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.553 -1.041 2.003 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.601 0.401 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.408 0.089 2.389 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.459 1.543 -1.618 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.354 1.380 0.576 1.00 0.00 H new ATOM 1269 N ALA B 633 14.513 -2.242 1.412 1.00 0.00 N ATOM 1270 CA ALA B 633 15.479 -3.320 1.463 1.00 0.00 C ATOM 1271 C ALA B 633 14.759 -4.655 1.364 1.00 0.00 C ATOM 1272 O ALA B 633 14.124 -5.103 2.318 1.00 0.00 O ATOM 1273 CB ALA B 633 16.274 -3.254 2.750 1.00 0.00 C ATOM 0 H ALA B 633 13.936 -2.160 2.249 1.00 0.00 H new ATOM 0 HA ALA B 633 16.168 -3.219 0.624 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.996 -4.070 2.774 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.801 -2.302 2.803 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.598 -3.342 3.600 1.00 0.00 H new ATOM 1279 N VAL B 634 14.845 -5.272 0.201 1.00 0.00 N ATOM 1280 CA VAL B 634 14.157 -6.526 -0.042 1.00 0.00 C ATOM 1281 C VAL B 634 15.062 -7.710 0.272 1.00 0.00 C ATOM 1282 O VAL B 634 16.091 -7.904 -0.378 1.00 0.00 O ATOM 1283 CB VAL B 634 13.684 -6.628 -1.504 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.770 -7.829 -1.686 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.986 -5.344 -1.927 1.00 0.00 C ATOM 0 H VAL B 634 15.385 -4.925 -0.592 1.00 0.00 H new ATOM 0 HA VAL B 634 13.288 -6.550 0.615 1.00 0.00 H new ATOM 0 HB VAL B 634 14.556 -6.767 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.446 -7.885 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.309 -8.739 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.899 -7.725 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.658 -5.432 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.121 -5.172 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.678 -4.507 -1.836 1.00 0.00 H new ATOM 1295 N GLY B 635 14.684 -8.488 1.272 1.00 0.00 N ATOM 1296 CA GLY B 635 15.432 -9.679 1.617 1.00 0.00 C ATOM 1297 C GLY B 635 16.274 -9.490 2.860 1.00 0.00 C ATOM 1298 O GLY B 635 16.310 -8.398 3.434 1.00 0.00 O ATOM 0 H GLY B 635 13.866 -8.315 1.856 1.00 0.00 H new ATOM 0 HA2 GLY B 635 14.740 -10.507 1.772 1.00 0.00 H new ATOM 0 HA3 GLY B 635 16.077 -9.954 0.783 1.00 0.00 H new ATOM 1302 N GLU B 636 16.954 -10.548 3.277 1.00 0.00 N ATOM 1303 CA GLU B 636 17.808 -10.492 4.451 1.00 0.00 C ATOM 1304 C GLU B 636 19.117 -9.786 4.135 1.00 0.00 C ATOM 1305 O GLU B 636 19.693 -9.114 4.987 1.00 0.00 O ATOM 1306 CB GLU B 636 18.082 -11.891 4.984 1.00 0.00 C ATOM 1307 CG GLU B 636 16.838 -12.600 5.483 1.00 0.00 C ATOM 1308 CD GLU B 636 17.156 -13.887 6.207 1.00 0.00 C ATOM 1309 OE1 GLU B 636 17.384 -13.839 7.434 1.00 0.00 O ATOM 1310 OE2 GLU B 636 17.162 -14.953 5.564 1.00 0.00 O1- ATOM 0 H GLU B 636 16.930 -11.458 2.817 1.00 0.00 H new ATOM 0 HA GLU B 636 17.285 -9.923 5.219 1.00 0.00 H new ATOM 0 HB2 GLU B 636 18.540 -12.489 4.196 1.00 0.00 H new ATOM 0 HB3 GLU B 636 18.805 -11.827 5.797 1.00 0.00 H new ATOM 0 HG2 GLU B 636 16.290 -11.937 6.152 1.00 0.00 H new ATOM 0 HG3 GLU B 636 16.183 -12.814 4.639 1.00 0.00 H new ATOM 1317 N HIS B 637 19.585 -9.935 2.902 1.00 0.00 N ATOM 1318 CA HIS B 637 20.787 -9.242 2.465 1.00 0.00 C ATOM 1319 C HIS B 637 20.444 -7.793 2.149 1.00 0.00 C ATOM 1320 O HIS B 637 21.319 -6.941 1.992 1.00 0.00 O ATOM 1321 CB HIS B 637 21.409 -9.933 1.247 1.00 0.00 C ATOM 1322 CG HIS B 637 22.786 -9.444 0.914 1.00 0.00 C ATOM 1323 ND1 HIS B 637 23.157 -9.040 -0.349 1.00 0.00 N ATOM 1324 CD2 HIS B 637 23.888 -9.307 1.690 1.00 0.00 C ATOM 1325 CE1 HIS B 637 24.425 -8.673 -0.337 1.00 0.00 C ATOM 1326 NE2 HIS B 637 24.891 -8.825 0.888 1.00 0.00 N ATOM 0 H HIS B 637 19.153 -10.526 2.192 1.00 0.00 H new ATOM 0 HA HIS B 637 21.525 -9.270 3.267 1.00 0.00 H new ATOM 0 HB2 HIS B 637 21.449 -11.007 1.431 1.00 0.00 H new ATOM 0 HB3 HIS B 637 20.761 -9.781 0.384 1.00 0.00 H new ATOM 0 HD2 HIS B 637 23.963 -9.535 2.743 1.00 0.00 H new ATOM 0 HE1 HIS B 637 24.986 -8.310 -1.186 1.00 0.00 H new ATOM 0 HE2 HIS B 637 25.843 -8.618 1.190 1.00 0.00 H new ATOM 1335 N ARG B 638 19.136 -7.550 2.048 1.00 0.00 N ATOM 1336 CA ARG B 638 18.571 -6.212 1.940 1.00 0.00 C ATOM 1337 C ARG B 638 18.910 -5.552 0.614 1.00 0.00 C ATOM 1338 O ARG B 638 19.714 -4.625 0.556 1.00 0.00 O ATOM 1339 CB ARG B 638 19.024 -5.341 3.115 1.00 0.00 C ATOM 1340 CG ARG B 638 18.496 -5.828 4.452 1.00 0.00 C ATOM 1341 CD ARG B 638 18.834 -4.872 5.580 1.00 0.00 C ATOM 1342 NE ARG B 638 18.357 -5.379 6.865 1.00 0.00 N ATOM 1343 CZ ARG B 638 17.788 -4.628 7.806 1.00 0.00 C ATOM 1344 NH1 ARG B 638 17.637 -3.319 7.627 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 17.371 -5.190 8.934 1.00 0.00 N ATOM 0 H ARG B 638 18.434 -8.290 2.039 1.00 0.00 H new ATOM 0 HA ARG B 638 17.486 -6.313 1.977 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.113 -5.321 3.146 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.691 -4.316 2.950 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.414 -5.950 4.392 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.915 -6.810 4.671 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.913 -4.723 5.623 1.00 0.00 H new ATOM 0 HD3 ARG B 638 18.386 -3.898 5.381 1.00 0.00 H new ATOM 0 HE ARG B 638 18.467 -6.375 7.054 1.00 0.00 H new ATOM 0 HH11 ARG B 638 17.958 -2.882 6.763 1.00 0.00 H new ATOM 0 HH12 ARG B 638 17.200 -2.752 8.354 1.00 0.00 H new ATOM 0 HH21 ARG B 638 17.487 -6.193 9.077 1.00 0.00 H new ATOM 0 HH22 ARG B 638 16.935 -4.619 9.658 1.00 0.00 H new ATOM 1359 N ALA B 639 18.300 -6.044 -0.455 1.00 0.00 N ATOM 1360 CA ALA B 639 18.434 -5.412 -1.757 1.00 0.00 C ATOM 1361 C ALA B 639 17.717 -4.073 -1.752 1.00 0.00 C ATOM 1362 O ALA B 639 16.494 -4.018 -1.614 1.00 0.00 O ATOM 1363 CB ALA B 639 17.880 -6.299 -2.855 1.00 0.00 C ATOM 0 H ALA B 639 17.710 -6.876 -0.445 1.00 0.00 H new ATOM 0 HA ALA B 639 19.494 -5.254 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA B 639 17.994 -5.800 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.424 -7.243 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.823 -6.492 -2.669 1.00 0.00 H new ATOM 1369 N GLN B 640 18.478 -3.005 -1.891 1.00 0.00 N ATOM 1370 CA GLN B 640 17.921 -1.667 -1.798 1.00 0.00 C ATOM 1371 C GLN B 640 17.350 -1.221 -3.128 1.00 0.00 C ATOM 1372 O GLN B 640 18.036 -1.229 -4.152 1.00 0.00 O ATOM 1373 CB GLN B 640 18.962 -0.668 -1.302 1.00 0.00 C ATOM 1374 CG GLN B 640 19.317 -0.856 0.161 1.00 0.00 C ATOM 1375 CD GLN B 640 20.220 0.239 0.691 1.00 0.00 C ATOM 1376 OE1 GLN B 640 21.008 0.828 -0.049 1.00 0.00 O ATOM 1377 NE2 GLN B 640 20.119 0.512 1.981 1.00 0.00 N ATOM 0 H GLN B 640 19.482 -3.036 -2.068 1.00 0.00 H new ATOM 0 HA GLN B 640 17.109 -1.700 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.865 -0.764 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.586 0.344 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.401 -0.883 0.752 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.809 -1.820 0.290 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.453 0.001 2.560 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.707 1.234 2.397 1.00 0.00 H new ATOM 1386 N VAL B 641 16.085 -0.854 -3.100 1.00 0.00 N ATOM 1387 CA VAL B 641 15.392 -0.384 -4.283 1.00 0.00 C ATOM 1388 C VAL B 641 14.830 1.005 -4.032 1.00 0.00 C ATOM 1389 O VAL B 641 14.143 1.236 -3.035 1.00 0.00 O ATOM 1390 CB VAL B 641 14.245 -1.334 -4.689 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.550 -0.839 -5.947 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.765 -2.747 -4.893 1.00 0.00 C ATOM 0 H VAL B 641 15.509 -0.873 -2.258 1.00 0.00 H new ATOM 0 HA VAL B 641 16.113 -0.355 -5.100 1.00 0.00 H new ATOM 0 HB VAL B 641 13.516 -1.347 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.746 -1.525 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL B 641 13.136 0.153 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.269 -0.789 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.941 -3.400 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.518 -2.747 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.210 -3.108 -3.966 1.00 0.00 H new ATOM 1402 N SER B 642 15.135 1.926 -4.926 1.00 0.00 N ATOM 1403 CA SER B 642 14.688 3.297 -4.790 1.00 0.00 C ATOM 1404 C SER B 642 13.528 3.583 -5.743 1.00 0.00 C ATOM 1405 O SER B 642 13.723 3.732 -6.950 1.00 0.00 O ATOM 1406 CB SER B 642 15.862 4.240 -5.053 1.00 0.00 C ATOM 1407 OG SER B 642 16.613 3.809 -6.177 1.00 0.00 O ATOM 0 H SER B 642 15.695 1.747 -5.760 1.00 0.00 H new ATOM 0 HA SER B 642 14.326 3.460 -3.775 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.491 5.251 -5.224 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.505 4.281 -4.174 1.00 0.00 H new ATOM 0 HG SER B 642 16.003 3.580 -6.909 1.00 0.00 H new ATOM 1413 N VAL B 643 12.318 3.649 -5.200 1.00 0.00 N ATOM 1414 CA VAL B 643 11.137 3.887 -6.003 1.00 0.00 C ATOM 1415 C VAL B 643 10.495 5.233 -5.657 1.00 0.00 C ATOM 1416 O VAL B 643 10.148 5.491 -4.504 1.00 0.00 O ATOM 1417 CB VAL B 643 10.118 2.738 -5.823 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.801 2.497 -4.353 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.848 3.020 -6.599 1.00 0.00 C ATOM 0 H VAL B 643 12.135 3.540 -4.203 1.00 0.00 H new ATOM 0 HA VAL B 643 11.443 3.920 -7.049 1.00 0.00 H new ATOM 0 HB VAL B 643 10.574 1.831 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.082 1.683 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.716 2.232 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.379 3.403 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.145 2.199 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.400 3.946 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.083 3.118 -7.659 1.00 0.00 H new ATOM 1429 N GLU B 644 10.351 6.089 -6.662 1.00 0.00 N ATOM 1430 CA GLU B 644 9.735 7.401 -6.479 1.00 0.00 C ATOM 1431 C GLU B 644 8.217 7.291 -6.559 1.00 0.00 C ATOM 1432 O GLU B 644 7.663 6.937 -7.602 1.00 0.00 O ATOM 1433 CB GLU B 644 10.234 8.375 -7.540 1.00 0.00 C ATOM 1434 CG GLU B 644 11.692 8.756 -7.377 1.00 0.00 C ATOM 1435 CD GLU B 644 12.186 9.602 -8.523 1.00 0.00 C ATOM 1436 OE1 GLU B 644 11.931 10.823 -8.521 1.00 0.00 O ATOM 1437 OE2 GLU B 644 12.822 9.046 -9.443 1.00 0.00 O1- ATOM 0 H GLU B 644 10.654 5.898 -7.617 1.00 0.00 H new ATOM 0 HA GLU B 644 10.014 7.775 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.091 7.931 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.625 9.279 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.822 9.301 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.297 7.852 -7.306 1.00 0.00 H new ATOM 1444 N VAL B 645 7.552 7.589 -5.462 1.00 0.00 N ATOM 1445 CA VAL B 645 6.119 7.481 -5.375 1.00 0.00 C ATOM 1446 C VAL B 645 5.525 8.818 -4.932 1.00 0.00 C ATOM 1447 O VAL B 645 6.178 9.579 -4.217 1.00 0.00 O ATOM 1448 CB VAL B 645 5.768 6.375 -4.358 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.416 6.613 -3.750 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.832 5.004 -5.009 1.00 0.00 C ATOM 0 H VAL B 645 7.997 7.914 -4.604 1.00 0.00 H new ATOM 0 HA VAL B 645 5.703 7.226 -6.350 1.00 0.00 H new ATOM 0 HB VAL B 645 6.507 6.407 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.193 5.819 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.412 7.574 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.660 6.618 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.581 4.240 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.122 4.960 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL B 645 6.839 4.827 -5.387 1.00 0.00 H new ATOM 1460 N LEU B 646 4.309 9.125 -5.375 1.00 0.00 N ATOM 1461 CA LEU B 646 3.623 10.300 -4.867 1.00 0.00 C ATOM 1462 C LEU B 646 3.203 10.049 -3.430 1.00 0.00 C ATOM 1463 O LEU B 646 2.704 8.980 -3.097 1.00 0.00 O ATOM 1464 CB LEU B 646 2.391 10.680 -5.687 1.00 0.00 C ATOM 1465 CG LEU B 646 2.656 11.157 -7.113 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.553 12.092 -7.577 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.995 11.847 -7.210 1.00 0.00 C ATOM 0 H LEU B 646 3.791 8.587 -6.070 1.00 0.00 H new ATOM 0 HA LEU B 646 4.323 11.132 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.728 9.816 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.854 11.466 -5.156 1.00 0.00 H new ATOM 0 HG LEU B 646 2.671 10.282 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.760 12.421 -8.595 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.597 11.568 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.509 12.959 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.161 12.178 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU B 646 4.009 12.710 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.784 11.153 -6.921 1.00 0.00 H new ATOM 1479 N VAL B 647 3.389 11.048 -2.590 1.00 0.00 N ATOM 1480 CA VAL B 647 3.160 10.904 -1.159 1.00 0.00 C ATOM 1481 C VAL B 647 1.696 10.610 -0.825 1.00 0.00 C ATOM 1482 O VAL B 647 1.369 10.284 0.310 1.00 0.00 O ATOM 1483 CB VAL B 647 3.618 12.158 -0.391 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.097 12.418 -0.629 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.778 13.369 -0.775 1.00 0.00 C ATOM 0 H VAL B 647 3.701 11.977 -2.873 1.00 0.00 H new ATOM 0 HA VAL B 647 3.756 10.048 -0.844 1.00 0.00 H new ATOM 0 HB VAL B 647 3.473 11.980 0.674 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.403 13.308 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.677 11.561 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.273 12.572 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.122 14.241 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.879 13.557 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.732 13.176 -0.537 1.00 0.00 H new ATOM 1495 N GLU B 648 0.815 10.715 -1.809 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.596 10.434 -1.587 1.00 0.00 C ATOM 1497 C GLU B 648 -0.917 8.975 -1.902 1.00 0.00 C ATOM 1498 O GLU B 648 -2.059 8.537 -1.752 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.485 11.389 -2.403 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.058 11.590 -3.854 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.324 10.386 -4.736 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -2.471 10.229 -5.208 1.00 0.00 O1- ATOM 1503 OE2 GLU B 648 -0.393 9.599 -4.968 1.00 0.00 O ATOM 0 H GLU B 648 1.050 10.991 -2.763 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.811 10.603 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.507 11.009 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.500 12.360 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -1.584 12.453 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU B 648 0.007 11.823 -3.882 1.00 0.00 H new ATOM 1510 N TYR B 649 0.100 8.231 -2.323 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.063 6.830 -2.673 1.00 0.00 C ATOM 1512 C TYR B 649 0.068 5.961 -1.424 1.00 0.00 C ATOM 1513 O TYR B 649 1.133 5.916 -0.799 1.00 0.00 O ATOM 1514 CB TYR B 649 0.985 6.435 -3.716 1.00 0.00 C ATOM 1515 CG TYR B 649 0.685 5.146 -4.448 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -0.564 4.920 -5.010 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.661 4.169 -4.599 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.834 3.754 -5.698 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.396 2.999 -5.283 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.147 2.796 -5.832 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.118 1.635 -6.526 1.00 0.00 O ATOM 0 H TYR B 649 1.052 8.581 -2.430 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.055 6.676 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.075 7.240 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.953 6.342 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -1.336 5.668 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR B 649 2.642 4.327 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -1.811 3.593 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR B 649 2.163 2.246 -5.388 1.00 0.00 H new ATOM 0 HH TYR B 649 0.680 1.066 -6.528 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.022 5.279 -1.032 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.050 4.450 0.174 1.00 0.00 C ATOM 1533 C PRO B 650 -0.148 3.224 0.072 1.00 0.00 C ATOM 1534 O PRO B 650 0.111 2.713 -1.016 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.516 4.014 0.294 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.276 4.897 -0.634 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.319 5.265 -1.725 1.00 0.00 C ATOM 0 HA PRO B 650 -0.683 5.004 1.038 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.636 2.965 0.023 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.874 4.121 1.318 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.148 4.382 -1.037 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.640 5.785 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.335 4.539 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.556 6.236 -2.160 1.00 0.00 H new ATOM 1545 N PHE B 651 0.316 2.758 1.223 1.00 0.00 N ATOM 1546 CA PHE B 651 1.167 1.584 1.304 1.00 0.00 C ATOM 1547 C PHE B 651 0.728 0.688 2.454 1.00 0.00 C ATOM 1548 O PHE B 651 0.870 1.040 3.629 1.00 0.00 O ATOM 1549 CB PHE B 651 2.636 1.979 1.492 1.00 0.00 C ATOM 1550 CG PHE B 651 3.418 2.045 0.209 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.384 3.175 -0.588 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.191 0.967 -0.195 1.00 0.00 C ATOM 1553 CE1 PHE B 651 4.107 3.231 -1.765 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.914 1.017 -1.371 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.872 2.150 -2.157 1.00 0.00 C ATOM 0 H PHE B 651 0.112 3.185 2.126 1.00 0.00 H new ATOM 0 HA PHE B 651 1.071 1.039 0.365 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.681 2.951 1.984 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.112 1.261 2.160 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.786 4.023 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.228 0.078 0.417 1.00 0.00 H new ATOM 0 HE1 PHE B 651 4.074 4.120 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.511 0.170 -1.675 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.436 2.192 -3.077 1.00 0.00 H new ATOM 1565 N PHE B 652 0.168 -0.458 2.113 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.160 -1.454 3.111 1.00 0.00 C ATOM 1567 C PHE B 652 1.133 -2.010 3.682 1.00 0.00 C ATOM 1568 O PHE B 652 2.058 -2.313 2.933 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.000 -2.571 2.494 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.264 -2.839 3.251 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.221 -3.404 4.511 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.492 -2.510 2.707 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.378 -3.642 5.215 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.656 -2.744 3.408 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.600 -3.312 4.664 1.00 0.00 C ATOM 0 H PHE B 652 -0.068 -0.720 1.156 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.747 -0.999 3.909 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.248 -2.306 1.466 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.407 -3.484 2.454 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.268 -3.662 4.948 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.540 -2.066 1.724 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.331 -4.087 6.198 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.610 -2.483 2.975 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.510 -3.498 5.215 1.00 0.00 H new ATOM 1585 N VAL B 653 1.228 -2.110 4.997 1.00 0.00 N ATOM 1586 CA VAL B 653 2.478 -2.510 5.614 1.00 0.00 C ATOM 1587 C VAL B 653 2.325 -3.838 6.385 1.00 0.00 C ATOM 1588 O VAL B 653 1.471 -3.972 7.261 1.00 0.00 O ATOM 1589 CB VAL B 653 3.030 -1.398 6.541 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.525 -1.509 6.658 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.687 -0.007 6.037 1.00 0.00 C ATOM 0 H VAL B 653 0.466 -1.923 5.649 1.00 0.00 H new ATOM 0 HA VAL B 653 3.199 -2.669 4.812 1.00 0.00 H new ATOM 0 HB VAL B 653 2.560 -1.540 7.514 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.898 -0.721 7.312 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.786 -2.481 7.075 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.976 -1.405 5.671 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.095 0.738 6.720 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.115 0.136 5.045 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.604 0.104 5.984 1.00 0.00 H new ATOM 1601 N PHE B 654 3.205 -4.789 6.052 1.00 0.00 N ATOM 1602 CA PHE B 654 3.136 -6.201 6.485 1.00 0.00 C ATOM 1603 C PHE B 654 3.281 -6.394 7.997 1.00 0.00 C ATOM 1604 O PHE B 654 4.384 -6.614 8.498 1.00 0.00 O ATOM 1605 CB PHE B 654 4.263 -6.963 5.783 1.00 0.00 C ATOM 1606 CG PHE B 654 4.204 -8.458 5.947 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.262 -9.209 5.264 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.101 -9.110 6.778 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.216 -10.582 5.409 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.058 -10.480 6.927 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.114 -11.217 6.242 1.00 0.00 C ATOM 0 H PHE B 654 4.011 -4.598 5.456 1.00 0.00 H new ATOM 0 HA PHE B 654 2.147 -6.574 6.219 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.237 -6.726 4.719 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.219 -6.606 6.166 1.00 0.00 H new ATOM 0 HD1 PHE B 654 2.556 -8.716 4.612 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.843 -8.538 7.316 1.00 0.00 H new ATOM 0 HE1 PHE B 654 2.478 -11.158 4.871 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.762 -10.975 7.579 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.078 -12.290 6.358 1.00 0.00 H new ATOM 1621 N GLY B 655 2.176 -6.354 8.718 1.00 0.00 N ATOM 1622 CA GLY B 655 2.241 -6.505 10.162 1.00 0.00 C ATOM 1623 C GLY B 655 2.469 -5.181 10.855 1.00 0.00 C ATOM 1624 O GLY B 655 2.455 -5.096 12.083 1.00 0.00 O ATOM 0 H GLY B 655 1.239 -6.221 8.338 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.314 -6.949 10.523 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.046 -7.194 10.420 1.00 0.00 H new ATOM 1628 N GLN B 656 2.668 -4.145 10.058 1.00 0.00 N ATOM 1629 CA GLN B 656 2.930 -2.819 10.587 1.00 0.00 C ATOM 1630 C GLN B 656 1.645 -1.978 10.601 1.00 0.00 C ATOM 1631 O GLN B 656 1.378 -1.272 11.572 1.00 0.00 O ATOM 1632 CB GLN B 656 4.036 -2.126 9.779 1.00 0.00 C ATOM 1633 CG GLN B 656 5.443 -2.680 9.992 1.00 0.00 C ATOM 1634 CD GLN B 656 5.732 -3.962 9.229 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.138 -4.091 8.060 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.503 -4.807 9.677 1.00 0.00 N flip ATOM 0 H GLN B 656 2.653 -4.198 9.039 1.00 0.00 H new ATOM 0 HA GLN B 656 3.276 -2.919 11.616 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.790 -2.200 8.720 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.038 -1.066 10.032 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.168 -1.922 9.694 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.592 -2.863 11.056 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.941 -4.666 10.587 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.705 -5.649 9.139 1.00 0.00 H new ATOM 1645 N GLY B 657 0.837 -2.064 9.538 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.445 -1.370 9.542 1.00 0.00 C ATOM 1647 C GLY B 657 -0.909 -0.912 8.166 1.00 0.00 C ATOM 1648 O GLY B 657 -0.297 -1.241 7.151 1.00 0.00 O ATOM 0 H GLY B 657 1.043 -2.592 8.690 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.201 -2.029 9.968 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.374 -0.502 10.197 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.008 -0.160 8.150 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.573 0.400 6.922 1.00 0.00 C ATOM 1654 C TRP B 658 -2.100 1.848 6.773 1.00 0.00 C ATOM 1655 O TRP B 658 -2.722 2.777 7.301 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.112 0.320 6.989 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.858 0.792 5.768 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.164 1.183 5.750 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.387 0.921 4.409 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.541 1.537 4.483 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.475 1.389 3.642 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.166 0.691 3.759 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.380 1.627 2.276 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.079 0.930 2.399 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.179 1.393 1.674 1.00 0.00 C ATOM 0 H TRP B 658 -2.534 0.079 8.991 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.238 -0.166 6.053 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.393 -0.715 7.183 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.448 0.907 7.844 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.811 1.210 6.615 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.469 1.860 4.210 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.309 0.334 4.310 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.228 1.985 1.711 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.143 0.755 1.889 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.076 1.570 0.613 1.00 0.00 H new ATOM 1676 N SER B 659 -1.004 2.041 6.050 1.00 0.00 N ATOM 1677 CA SER B 659 -0.309 3.316 6.053 1.00 0.00 C ATOM 1678 C SER B 659 -0.226 3.938 4.660 1.00 0.00 C ATOM 1679 O SER B 659 -0.590 3.322 3.666 1.00 0.00 O ATOM 1680 CB SER B 659 1.097 3.125 6.629 1.00 0.00 C ATOM 1681 OG SER B 659 1.044 2.596 7.945 1.00 0.00 O ATOM 0 H SER B 659 -0.580 1.329 5.455 1.00 0.00 H new ATOM 0 HA SER B 659 -0.880 4.005 6.675 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.668 2.454 5.987 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.622 4.080 6.639 1.00 0.00 H new ATOM 0 HG SER B 659 1.955 2.482 8.289 1.00 0.00 H new ATOM 1687 N SER B 660 0.201 5.191 4.618 1.00 0.00 N ATOM 1688 CA SER B 660 0.470 5.883 3.373 1.00 0.00 C ATOM 1689 C SER B 660 1.675 6.788 3.551 1.00 0.00 C ATOM 1690 O SER B 660 1.993 7.188 4.674 1.00 0.00 O ATOM 1691 CB SER B 660 -0.746 6.701 2.935 1.00 0.00 C ATOM 1692 OG SER B 660 -0.485 7.405 1.735 1.00 0.00 O ATOM 0 H SER B 660 0.370 5.756 5.450 1.00 0.00 H new ATOM 0 HA SER B 660 0.680 5.147 2.597 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.600 6.039 2.793 1.00 0.00 H new ATOM 0 HB3 SER B 660 -1.016 7.406 3.722 1.00 0.00 H new ATOM 0 HG SER B 660 -1.249 7.980 1.520 1.00 0.00 H new ATOM 1698 N CYS B 661 2.335 7.104 2.443 1.00 0.00 N ATOM 1699 CA CYS B 661 3.524 7.948 2.456 1.00 0.00 C ATOM 1700 C CYS B 661 3.216 9.303 3.082 1.00 0.00 C ATOM 1701 O CYS B 661 4.102 9.969 3.616 1.00 0.00 O ATOM 1702 CB CYS B 661 4.038 8.135 1.030 1.00 0.00 C ATOM 1703 SG CYS B 661 4.308 6.584 0.138 1.00 0.00 S ATOM 0 H CYS B 661 2.063 6.784 1.514 1.00 0.00 H new ATOM 0 HA CYS B 661 4.292 7.460 3.056 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.324 8.743 0.474 1.00 0.00 H new ATOM 0 HB3 CYS B 661 4.974 8.692 1.062 1.00 0.00 H new ATOM 0 HG CYS B 661 3.177 6.153 -0.335 1.00 0.00 H new ATOM 1709 N CYS B 662 1.947 9.686 3.026 1.00 0.00 N ATOM 1710 CA CYS B 662 1.479 10.942 3.584 1.00 0.00 C ATOM 1711 C CYS B 662 -0.025 10.873 3.784 1.00 0.00 C ATOM 1712 O CYS B 662 -0.801 11.240 2.898 1.00 0.00 O ATOM 1713 CB CYS B 662 1.846 12.131 2.686 1.00 0.00 C ATOM 1714 SG CYS B 662 3.561 12.679 2.848 1.00 0.00 S ATOM 0 H CYS B 662 1.212 9.129 2.589 1.00 0.00 H new ATOM 0 HA CYS B 662 1.970 11.098 4.544 1.00 0.00 H new ATOM 0 HB2 CYS B 662 1.660 11.859 1.647 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.186 12.966 2.920 1.00 0.00 H new ATOM 0 HG CYS B 662 4.283 11.710 3.328 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.450 10.386 4.961 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.867 10.226 5.296 1.00 0.00 C ATOM 1722 C PRO B 663 -2.623 11.526 5.147 1.00 0.00 C ATOM 1723 O PRO B 663 -3.806 11.539 4.811 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.848 9.802 6.761 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.497 9.220 6.976 1.00 0.00 C ATOM 1726 CD PRO B 663 0.428 9.969 6.066 1.00 0.00 C ATOM 0 HA PRO B 663 -2.363 9.510 4.641 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -2.021 10.653 7.420 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.630 9.072 6.971 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.189 9.324 8.016 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.491 8.154 6.747 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.879 10.826 6.567 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.245 9.339 5.715 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.910 12.615 5.394 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.449 13.950 5.254 1.00 0.00 C ATOM 1736 C GLU B 664 -3.081 14.123 3.880 1.00 0.00 C ATOM 1737 O GLU B 664 -4.249 14.469 3.767 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.328 14.972 5.447 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.523 14.750 6.717 1.00 0.00 C ATOM 1740 CD GLU B 664 0.692 15.644 6.800 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.728 15.300 6.194 1.00 0.00 O ATOM 1742 OE2 GLU B 664 0.623 16.687 7.481 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.937 12.592 5.698 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.218 14.107 6.011 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.657 14.932 4.589 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.758 15.973 5.468 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -1.161 14.929 7.583 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -0.206 13.708 6.764 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.316 13.823 2.836 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.777 14.040 1.474 1.00 0.00 C ATOM 1751 C ARG B 665 -3.758 12.947 1.045 1.00 0.00 C ATOM 1752 O ARG B 665 -4.765 13.237 0.403 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.593 14.107 0.506 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.927 14.820 -0.788 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.709 14.980 -1.682 1.00 0.00 C ATOM 1756 NE ARG B 665 -1.062 15.615 -2.950 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.345 15.520 -4.067 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.821 14.881 -4.070 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -0.788 16.086 -5.179 1.00 0.00 N ATOM 0 H ARG B 665 -1.377 13.430 2.909 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.301 14.996 1.446 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.762 14.618 0.992 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.257 13.095 0.281 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.697 14.262 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.343 15.802 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.045 15.579 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.264 14.003 -1.873 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.917 16.170 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.173 14.458 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.363 14.813 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -1.674 16.591 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -0.243 16.017 -6.039 1.00 0.00 H new ATOM 1773 N THR B 666 -3.477 11.696 1.409 1.00 0.00 N ATOM 1774 CA THR B 666 -4.370 10.589 1.071 1.00 0.00 C ATOM 1775 C THR B 666 -5.761 10.820 1.674 1.00 0.00 C ATOM 1776 O THR B 666 -6.781 10.578 1.026 1.00 0.00 O ATOM 1777 CB THR B 666 -3.784 9.239 1.556 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.433 9.118 1.089 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.594 8.046 1.044 1.00 0.00 C ATOM 0 H THR B 666 -2.645 11.425 1.934 1.00 0.00 H new ATOM 0 HA THR B 666 -4.465 10.547 -0.014 1.00 0.00 H new ATOM 0 HB THR B 666 -3.822 9.231 2.645 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.435 8.798 0.163 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.148 7.120 1.408 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.620 8.121 1.405 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.592 8.046 -0.046 1.00 0.00 H new ATOM 1787 N SER B 667 -5.800 11.332 2.899 1.00 0.00 N ATOM 1788 CA SER B 667 -7.063 11.645 3.554 1.00 0.00 C ATOM 1789 C SER B 667 -7.624 12.984 3.055 1.00 0.00 C ATOM 1790 O SER B 667 -8.833 13.198 3.052 1.00 0.00 O ATOM 1791 CB SER B 667 -6.879 11.671 5.069 1.00 0.00 C ATOM 1792 OG SER B 667 -8.127 11.648 5.743 1.00 0.00 O ATOM 0 H SER B 667 -4.972 11.539 3.458 1.00 0.00 H new ATOM 0 HA SER B 667 -7.782 10.865 3.302 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.281 10.814 5.379 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.326 12.566 5.354 1.00 0.00 H new ATOM 0 HG SER B 667 -7.976 11.664 6.711 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.746 13.893 2.647 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.167 15.161 2.065 1.00 0.00 C ATOM 1800 C GLN B 668 -7.923 14.977 0.761 1.00 0.00 C ATOM 1801 O GLN B 668 -9.025 15.493 0.586 1.00 0.00 O ATOM 1802 CB GLN B 668 -5.964 16.021 1.805 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.705 16.978 2.930 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.795 18.004 3.125 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.434 18.409 2.049 1.00 0.00 O flip ATOM 1806 NE2 GLN B 668 -7.048 18.444 4.246 1.00 0.00 N flip ATOM 0 H GLN B 668 -5.735 13.774 2.709 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.838 15.635 2.781 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.089 15.387 1.660 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.110 16.579 0.880 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.583 16.413 3.854 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.763 17.494 2.745 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -6.530 18.104 5.056 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -7.776 19.148 4.365 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.323 14.224 -0.141 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.820 14.123 -1.501 1.00 0.00 C ATOM 1817 C LEU B 669 -8.859 13.021 -1.619 1.00 0.00 C ATOM 1818 O LEU B 669 -9.863 13.167 -2.313 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.664 13.833 -2.458 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.359 14.583 -2.167 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.301 14.227 -3.199 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.578 16.089 -2.112 1.00 0.00 C ATOM 0 H LEU B 669 -6.487 13.670 0.044 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.286 15.073 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.459 12.763 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -6.984 14.077 -3.471 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.006 14.270 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.381 14.768 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.108 13.155 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.654 14.503 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -4.631 16.587 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -5.967 16.435 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.293 16.324 -1.323 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.610 11.919 -0.933 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.426 10.724 -1.085 1.00 0.00 C ATOM 1836 C PHE B 670 -10.216 10.430 0.182 1.00 0.00 C ATOM 1837 O PHE B 670 -10.930 9.428 0.262 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.517 9.546 -1.432 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.585 9.851 -2.569 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -8.079 10.094 -3.840 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.217 9.901 -2.365 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.226 10.383 -4.886 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.358 10.188 -3.407 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.863 10.428 -4.670 1.00 0.00 C ATOM 0 H PHE B 670 -7.847 11.826 -0.263 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.146 10.886 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.934 9.271 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.130 8.683 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.144 10.057 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.817 9.713 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.624 10.574 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.292 10.225 -3.235 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.193 10.650 -5.487 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.068 11.310 1.173 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.724 11.164 2.479 1.00 0.00 C ATOM 1856 C ASP B 671 -10.371 9.839 3.138 1.00 0.00 C ATOM 1857 O ASP B 671 -11.031 9.409 4.080 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.245 11.303 2.363 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.689 12.742 2.205 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.537 13.526 3.168 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -13.208 13.098 1.128 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.490 12.147 1.096 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.351 11.971 3.110 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.595 10.723 1.509 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.714 10.878 3.251 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.305 9.216 2.667 1.00 0.00 N ATOM 1867 CA LEU B 672 -8.951 7.880 3.100 1.00 0.00 C ATOM 1868 C LEU B 672 -7.904 7.969 4.203 1.00 0.00 C ATOM 1869 O LEU B 672 -6.771 8.387 3.967 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.425 7.075 1.905 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.517 5.537 1.981 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -7.284 4.901 1.358 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -8.730 5.007 3.385 1.00 0.00 C ATOM 0 H LEU B 672 -8.667 9.619 1.980 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.829 7.370 3.496 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -8.967 7.400 1.017 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.379 7.342 1.755 1.00 0.00 H new ATOM 0 HG LEU B 672 -9.404 5.258 1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -7.364 3.816 1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -7.209 5.201 0.313 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -6.394 5.230 1.895 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -8.785 3.919 3.359 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -7.898 5.313 4.020 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -9.660 5.407 3.788 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.290 7.590 5.425 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.410 7.651 6.586 1.00 0.00 C ATOM 1887 C PRO B 673 -6.275 6.637 6.501 1.00 0.00 C ATOM 1888 O PRO B 673 -6.483 5.461 6.192 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.334 7.339 7.763 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.462 6.567 7.172 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.616 7.052 5.755 1.00 0.00 C ATOM 0 HA PRO B 673 -6.917 8.619 6.673 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.817 6.760 8.528 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.688 8.253 8.240 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.254 5.497 7.195 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.380 6.726 7.738 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.898 6.242 5.083 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.389 7.816 5.675 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.076 7.107 6.778 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.876 6.294 6.660 1.00 0.00 C ATOM 1901 C CYS B 674 -2.944 6.540 7.837 1.00 0.00 C ATOM 1902 O CYS B 674 -2.966 7.606 8.454 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.171 6.615 5.335 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.024 5.965 3.881 1.00 0.00 S ATOM 0 H CYS B 674 -4.903 8.062 7.091 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.156 5.241 6.670 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -3.077 7.696 5.237 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.160 6.208 5.364 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.202 5.536 4.225 1.00 0.00 H new ATOM 1910 N SER B 675 -2.161 5.530 8.168 1.00 0.00 N ATOM 1911 CA SER B 675 -1.096 5.675 9.143 1.00 0.00 C ATOM 1912 C SER B 675 0.135 6.200 8.418 1.00 0.00 C ATOM 1913 O SER B 675 0.216 6.095 7.196 1.00 0.00 O ATOM 1914 CB SER B 675 -0.801 4.326 9.800 1.00 0.00 C ATOM 1915 OG SER B 675 -1.988 3.731 10.303 1.00 0.00 O ATOM 0 H SER B 675 -2.244 4.593 7.772 1.00 0.00 H new ATOM 0 HA SER B 675 -1.389 6.372 9.929 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.336 3.659 9.074 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.087 4.462 10.612 1.00 0.00 H new ATOM 0 HG SER B 675 -2.500 3.345 9.562 1.00 0.00 H new ATOM 1921 N LYS B 676 1.077 6.789 9.131 1.00 0.00 N ATOM 1922 CA LYS B 676 2.249 7.335 8.469 1.00 0.00 C ATOM 1923 C LYS B 676 3.219 6.230 8.083 1.00 0.00 C ATOM 1924 O LYS B 676 3.792 5.563 8.943 1.00 0.00 O ATOM 1925 CB LYS B 676 2.957 8.379 9.332 1.00 0.00 C ATOM 1926 CG LYS B 676 4.180 8.983 8.650 1.00 0.00 C ATOM 1927 CD LYS B 676 3.822 9.568 7.290 1.00 0.00 C ATOM 1928 CE LYS B 676 5.032 10.154 6.578 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.523 11.400 7.223 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.058 6.901 10.145 1.00 0.00 H new ATOM 0 HA LYS B 676 1.901 7.831 7.563 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.255 9.175 9.579 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.262 7.920 10.272 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.605 9.762 9.283 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.947 8.218 8.529 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.378 8.791 6.668 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.067 10.344 7.418 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.834 9.416 6.563 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.773 10.364 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.337 11.769 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.763 12.110 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.813 11.194 8.200 1.00 0.00 H new ATOM 1943 N LEU B 677 3.379 6.038 6.784 1.00 0.00 N ATOM 1944 CA LEU B 677 4.350 5.095 6.264 1.00 0.00 C ATOM 1945 C LEU B 677 5.723 5.746 6.299 1.00 0.00 C ATOM 1946 O LEU B 677 6.004 6.675 5.540 1.00 0.00 O ATOM 1947 CB LEU B 677 3.951 4.661 4.835 1.00 0.00 C ATOM 1948 CG LEU B 677 4.826 3.592 4.156 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.092 4.194 3.561 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.178 2.488 5.138 1.00 0.00 C ATOM 0 H LEU B 677 2.844 6.528 6.067 1.00 0.00 H new ATOM 0 HA LEU B 677 4.378 4.194 6.877 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.927 4.289 4.868 1.00 0.00 H new ATOM 0 HB3 LEU B 677 3.947 5.548 4.201 1.00 0.00 H new ATOM 0 HG LEU B 677 4.245 3.166 3.338 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.683 3.408 3.091 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.823 4.941 2.815 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.677 4.664 4.351 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.797 1.742 4.640 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.726 2.911 5.980 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.264 2.018 5.500 1.00 0.00 H new ATOM 1962 N SER B 678 6.556 5.284 7.212 1.00 0.00 N ATOM 1963 CA SER B 678 7.886 5.837 7.376 1.00 0.00 C ATOM 1964 C SER B 678 8.946 4.745 7.354 1.00 0.00 C ATOM 1965 O SER B 678 8.631 3.556 7.309 1.00 0.00 O ATOM 1966 CB SER B 678 7.975 6.634 8.681 1.00 0.00 C ATOM 1967 OG SER B 678 7.111 7.757 8.651 1.00 0.00 O ATOM 0 H SER B 678 6.333 4.523 7.854 1.00 0.00 H new ATOM 0 HA SER B 678 8.075 6.507 6.537 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.713 5.992 9.522 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.001 6.965 8.840 1.00 0.00 H new ATOM 0 HG SER B 678 7.184 8.249 9.495 1.00 0.00 H new ATOM 1973 N VAL B 679 10.202 5.166 7.367 1.00 0.00 N ATOM 1974 CA VAL B 679 11.328 4.258 7.386 1.00 0.00 C ATOM 1975 C VAL B 679 11.265 3.328 8.598 1.00 0.00 C ATOM 1976 O VAL B 679 11.039 3.765 9.726 1.00 0.00 O ATOM 1977 CB VAL B 679 12.655 5.052 7.347 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.610 6.237 8.297 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.848 4.161 7.657 1.00 0.00 C ATOM 0 H VAL B 679 10.465 6.152 7.365 1.00 0.00 H new ATOM 0 HA VAL B 679 11.283 3.630 6.496 1.00 0.00 H new ATOM 0 HB VAL B 679 12.777 5.431 6.332 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.555 6.777 8.250 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.796 6.903 8.010 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.446 5.882 9.314 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.763 4.752 7.621 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.733 3.732 8.652 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.905 3.359 6.921 1.00 0.00 H new ATOM 1989 N GLY B 680 11.458 2.043 8.339 1.00 0.00 N ATOM 1990 CA GLY B 680 11.303 1.036 9.366 1.00 0.00 C ATOM 1991 C GLY B 680 10.120 0.130 9.106 1.00 0.00 C ATOM 1992 O GLY B 680 10.031 -0.962 9.670 1.00 0.00 O ATOM 0 H GLY B 680 11.722 1.678 7.424 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.211 0.436 9.424 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.180 1.523 10.334 1.00 0.00 H new ATOM 1996 N ASP B 681 9.210 0.569 8.245 1.00 0.00 N ATOM 1997 CA ASP B 681 8.024 -0.221 7.952 1.00 0.00 C ATOM 1998 C ASP B 681 8.290 -1.190 6.805 1.00 0.00 C ATOM 1999 O ASP B 681 9.081 -0.914 5.909 1.00 0.00 O ATOM 2000 CB ASP B 681 6.812 0.671 7.639 1.00 0.00 C ATOM 2001 CG ASP B 681 6.294 1.410 8.858 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.739 0.752 9.763 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.435 2.648 8.925 1.00 0.00 O ATOM 0 H ASP B 681 9.270 1.456 7.744 1.00 0.00 H new ATOM 0 HA ASP B 681 7.786 -0.799 8.845 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.088 1.394 6.872 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.012 0.057 7.225 1.00 0.00 H new ATOM 2008 N VAL B 682 7.647 -2.339 6.848 1.00 0.00 N ATOM 2009 CA VAL B 682 7.824 -3.344 5.811 1.00 0.00 C ATOM 2010 C VAL B 682 6.639 -3.342 4.851 1.00 0.00 C ATOM 2011 O VAL B 682 5.561 -3.799 5.211 1.00 0.00 O ATOM 2012 CB VAL B 682 7.970 -4.754 6.424 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.080 -5.811 5.344 1.00 0.00 C ATOM 2014 CG2 VAL B 682 9.169 -4.824 7.351 1.00 0.00 C ATOM 0 H VAL B 682 6.997 -2.603 7.588 1.00 0.00 H new ATOM 0 HA VAL B 682 8.735 -3.094 5.267 1.00 0.00 H new ATOM 0 HB VAL B 682 7.071 -4.952 7.008 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.182 -6.793 5.805 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.184 -5.792 4.724 1.00 0.00 H new ATOM 0 HG13 VAL B 682 8.954 -5.609 4.725 1.00 0.00 H new ATOM 0 HG21 VAL B 682 9.248 -5.828 7.769 1.00 0.00 H new ATOM 0 HG22 VAL B 682 10.075 -4.591 6.792 1.00 0.00 H new ATOM 0 HG23 VAL B 682 9.046 -4.103 8.159 1.00 0.00 H new ATOM 2024 N CYS B 683 6.835 -2.862 3.629 1.00 0.00 N ATOM 2025 CA CYS B 683 5.731 -2.735 2.690 1.00 0.00 C ATOM 2026 C CYS B 683 5.148 -4.086 2.333 1.00 0.00 C ATOM 2027 O CYS B 683 5.866 -5.084 2.235 1.00 0.00 O ATOM 2028 CB CYS B 683 6.168 -2.047 1.396 1.00 0.00 C ATOM 2029 SG CYS B 683 7.526 -2.872 0.534 1.00 0.00 S ATOM 0 H CYS B 683 7.739 -2.557 3.269 1.00 0.00 H new ATOM 0 HA CYS B 683 4.976 -2.128 3.190 1.00 0.00 H new ATOM 0 HB2 CYS B 683 5.312 -1.985 0.724 1.00 0.00 H new ATOM 0 HB3 CYS B 683 6.467 -1.024 1.626 1.00 0.00 H new ATOM 0 HG CYS B 683 8.596 -2.138 0.607 1.00 0.00 H new ATOM 2035 N ILE B 684 3.843 -4.107 2.165 1.00 0.00 N ATOM 2036 CA ILE B 684 3.183 -5.217 1.528 1.00 0.00 C ATOM 2037 C ILE B 684 3.141 -4.940 0.043 1.00 0.00 C ATOM 2038 O ILE B 684 2.311 -4.162 -0.431 1.00 0.00 O ATOM 2039 CB ILE B 684 1.736 -5.404 2.029 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.722 -5.814 3.494 1.00 0.00 C ATOM 2041 CG2 ILE B 684 0.999 -6.433 1.182 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.334 -5.874 4.087 1.00 0.00 C ATOM 0 H ILE B 684 3.217 -3.359 2.465 1.00 0.00 H new ATOM 0 HA ILE B 684 3.737 -6.126 1.763 1.00 0.00 H new ATOM 0 HB ILE B 684 1.220 -4.449 1.934 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.195 -6.791 3.595 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.324 -5.108 4.067 1.00 0.00 H new ATOM 0 HG21 ILE B 684 -0.019 -6.548 1.554 1.00 0.00 H new ATOM 0 HG22 ILE B 684 0.971 -6.098 0.145 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.517 -7.390 1.240 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.398 -6.173 5.133 1.00 0.00 H new ATOM 0 HD12 ILE B 684 -0.134 -4.892 4.018 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.265 -6.601 3.538 1.00 0.00 H new ATOM 2054 N SER B 685 4.049 -5.536 -0.683 1.00 0.00 N ATOM 2055 CA SER B 685 4.036 -5.399 -2.113 1.00 0.00 C ATOM 2056 C SER B 685 3.196 -6.529 -2.680 1.00 0.00 C ATOM 2057 O SER B 685 3.543 -7.702 -2.548 1.00 0.00 O ATOM 2058 CB SER B 685 5.474 -5.447 -2.628 1.00 0.00 C ATOM 2059 OG SER B 685 6.386 -5.270 -1.550 1.00 0.00 O ATOM 0 H SER B 685 4.801 -6.116 -0.311 1.00 0.00 H new ATOM 0 HA SER B 685 3.603 -4.448 -2.424 1.00 0.00 H new ATOM 0 HB2 SER B 685 5.661 -6.402 -3.119 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.627 -4.669 -3.375 1.00 0.00 H new ATOM 0 HG SER B 685 7.131 -5.899 -1.646 1.00 0.00 H new ATOM 2065 N LEU B 686 2.089 -6.186 -3.301 1.00 0.00 N ATOM 2066 CA LEU B 686 1.176 -7.192 -3.780 1.00 0.00 C ATOM 2067 C LEU B 686 1.427 -7.454 -5.246 1.00 0.00 C ATOM 2068 O LEU B 686 1.440 -6.532 -6.061 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.266 -6.748 -3.546 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.223 -7.845 -3.072 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.379 -8.927 -4.121 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.745 -8.449 -1.760 1.00 0.00 C ATOM 0 H LEU B 686 1.803 -5.224 -3.484 1.00 0.00 H new ATOM 0 HA LEU B 686 1.340 -8.118 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.266 -5.946 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.654 -6.327 -4.474 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.198 -7.385 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.064 -9.692 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.777 -8.491 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.408 -9.378 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.440 -9.226 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.245 -8.883 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.697 -7.671 -0.998 1.00 0.00 H new ATOM 2084 N THR B 687 1.626 -8.710 -5.579 1.00 0.00 N ATOM 2085 CA THR B 687 1.893 -9.084 -6.942 1.00 0.00 C ATOM 2086 C THR B 687 0.615 -9.562 -7.617 1.00 0.00 C ATOM 2087 O THR B 687 -0.006 -10.535 -7.188 1.00 0.00 O ATOM 2088 CB THR B 687 2.953 -10.193 -6.988 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.153 -9.745 -6.343 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.256 -10.602 -8.417 1.00 0.00 C ATOM 0 H THR B 687 1.607 -9.488 -4.920 1.00 0.00 H new ATOM 0 HA THR B 687 2.269 -8.211 -7.475 1.00 0.00 H new ATOM 0 HB THR B 687 2.560 -11.063 -6.462 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.321 -8.809 -6.579 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.010 -11.389 -8.418 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.346 -10.971 -8.891 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.630 -9.741 -8.971 1.00 0.00 H new ATOM 2098 N LEU B 688 0.225 -8.844 -8.656 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.934 -9.196 -9.454 1.00 0.00 C ATOM 2100 C LEU B 688 -0.477 -9.931 -10.706 1.00 0.00 C ATOM 2101 O LEU B 688 0.092 -9.325 -11.615 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.713 -7.926 -9.835 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.916 -7.561 -8.948 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.068 -8.516 -9.192 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.545 -7.548 -7.469 1.00 0.00 C ATOM 0 H LEU B 688 0.704 -8.000 -8.969 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.592 -9.846 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.018 -7.086 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.067 -8.039 -10.860 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.228 -6.553 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -4.909 -8.241 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.371 -8.461 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.753 -9.533 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.421 -7.286 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.190 -8.535 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.758 -6.813 -7.298 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.675 -11.240 -10.730 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.289 -12.040 -11.881 1.00 0.00 C ATOM 2119 C LYS B 689 -1.256 -11.828 -13.040 1.00 0.00 C ATOM 2120 O LYS B 689 -2.367 -12.394 -13.009 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.197 -13.516 -11.502 1.00 0.00 C ATOM 2122 CG LYS B 689 1.075 -13.862 -10.738 1.00 0.00 C ATOM 2123 CD LYS B 689 2.334 -13.586 -11.555 1.00 0.00 C ATOM 2124 CE LYS B 689 2.445 -14.496 -12.770 1.00 0.00 C ATOM 2125 NZ LYS B 689 2.681 -15.913 -12.386 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -0.906 -11.082 -13.978 1.00 0.00 O ATOM 0 H LYS B 689 -1.099 -11.769 -9.968 1.00 0.00 H new ATOM 0 HA LYS B 689 0.698 -11.714 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.062 -13.783 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.245 -14.121 -12.408 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.110 -13.284 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.051 -14.914 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.332 -12.546 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.212 -13.720 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS B 689 1.530 -14.428 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS B 689 3.260 -14.153 -13.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 2.885 -16.474 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 3.490 -15.966 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 1.833 -16.291 -11.917 1.00 0.00 H new TER 2140 LYS B 689