USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1065 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 660 SER OG : rot 164:sc= 1.36 USER MOD Set 1.2: B 666 THR OG1 : rot -67:sc= 1.94 USER MOD Set 2.1: B 622 SER OG : rot 162:sc= 1.29 USER MOD Set 2.2: B 624 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 38 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 39 SER OG : rot 71:sc= 1.11 USER MOD Single : A 47 SER OG : rot -120:sc= -0.318 USER MOD Single : A 48 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : B 570 THR OG1 : rot 23:sc= 0.807 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -156:sc= -0.276 (180deg=-1.6) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 87:sc= -1.12! USER MOD Single : B 582 GLN : amide:sc= -0.75 K(o=-0.75,f=-2.3!) USER MOD Single : B 585 ASN : amide:sc= -0.646 K(o=-0.65,f=-11!) USER MOD Single : B 589 LYS NZ :NH3+ 166:sc= 1.84 (180deg=1.65) USER MOD Single : B 590 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.717) USER MOD Single : B 595 LYS NZ :NH3+ 171:sc= -0.0171 (180deg=-0.143) USER MOD Single : B 596 THR OG1 : rot -99:sc= -1.14! USER MOD Single : B 601 GLN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : B 602 SER OG : rot 82:sc= -0.164! USER MOD Single : B 606 SER OG : rot -160:sc= -0.262 USER MOD Single : B 607 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 610 LYS NZ :NH3+ -167:sc= -1.18! (180deg=-1.68!) USER MOD Single : B 613 SER OG : rot -114:sc= 0.4 USER MOD Single : B 614 SER OG : rot 160:sc= -0.518 USER MOD Single : B 615 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 631 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 640 GLN : amide:sc= 0.894 K(o=0.89,f=-4.7!) USER MOD Single : B 642 SER OG : rot 41:sc= 0.0465 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -8.01! C(o=-17!,f=-8!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.88 USER MOD Single : B 661 CYS SG : rot 180:sc= -0.0355 USER MOD Single : B 662 CYS SG : rot 40:sc= -1.75! USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.4) USER MOD Single : B 674 CYS SG : rot 15:sc= -1.32 USER MOD Single : B 675 SER OG : rot 81:sc= 0.0487 USER MOD Single : B 676 LYS NZ :NH3+ -108:sc= 1.3 (180deg=-1.8!) USER MOD Single : B 678 SER OG : rot 180:sc= 0.0712 USER MOD Single : B 683 CYS SG : rot -109:sc= -2.65! USER MOD Single : B 685 SER OG : rot -95:sc= 0.886 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.050 -4.264 -5.971 1.00 0.00 N ATOM 2 CA VAL A 34 -16.753 -4.259 -5.255 1.00 0.00 C ATOM 3 C VAL A 34 -15.614 -3.912 -6.186 1.00 0.00 C ATOM 4 O VAL A 34 -15.770 -3.892 -7.407 1.00 0.00 O ATOM 5 CB VAL A 34 -16.420 -5.628 -4.629 1.00 0.00 C ATOM 6 CG1 VAL A 34 -17.267 -5.904 -3.410 1.00 0.00 C ATOM 7 CG2 VAL A 34 -16.576 -6.739 -5.654 1.00 0.00 C ATOM 0 HA VAL A 34 -16.860 -3.510 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.379 -5.597 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.004 -6.878 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -17.090 -5.132 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.320 -5.902 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.336 -7.697 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.604 -6.758 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.900 -6.560 -6.490 1.00 0.00 H new ATOM 19 N PHE A 35 -14.471 -3.635 -5.591 1.00 0.00 N ATOM 20 CA PHE A 35 -13.233 -3.496 -6.325 1.00 0.00 C ATOM 21 C PHE A 35 -12.252 -4.536 -5.824 1.00 0.00 C ATOM 22 O PHE A 35 -12.196 -4.801 -4.618 1.00 0.00 O ATOM 23 CB PHE A 35 -12.652 -2.090 -6.159 1.00 0.00 C ATOM 24 CG PHE A 35 -13.241 -1.097 -7.115 1.00 0.00 C ATOM 25 CD1 PHE A 35 -14.600 -0.849 -7.116 1.00 0.00 C ATOM 26 CD2 PHE A 35 -12.440 -0.429 -8.025 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.153 0.050 -8.000 1.00 0.00 C ATOM 28 CE2 PHE A 35 -12.988 0.470 -8.916 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.345 0.713 -8.903 1.00 0.00 C ATOM 0 H PHE A 35 -14.376 -3.500 -4.584 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.425 -3.649 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.824 -1.750 -5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.572 -2.129 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.237 -1.367 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.376 -0.613 -8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.217 0.236 -7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.354 0.984 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 35 -14.775 1.420 -9.597 1.00 0.00 H new ATOM 39 N PRO A 36 -11.514 -5.179 -6.743 1.00 0.00 N ATOM 40 CA PRO A 36 -10.465 -6.131 -6.383 1.00 0.00 C ATOM 41 C PRO A 36 -9.527 -5.526 -5.356 1.00 0.00 C ATOM 42 O PRO A 36 -9.106 -4.376 -5.495 1.00 0.00 O ATOM 43 CB PRO A 36 -9.733 -6.374 -7.702 1.00 0.00 C ATOM 44 CG PRO A 36 -10.749 -6.099 -8.754 1.00 0.00 C ATOM 45 CD PRO A 36 -11.642 -5.022 -8.203 1.00 0.00 C ATOM 0 HA PRO A 36 -10.855 -7.047 -5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -8.870 -5.716 -7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.363 -7.397 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.273 -5.775 -9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.321 -6.997 -8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.324 -4.032 -8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.674 -5.150 -8.531 1.00 0.00 H new ATOM 53 N TRP A 37 -9.228 -6.303 -4.318 1.00 0.00 N ATOM 54 CA TRP A 37 -8.507 -5.803 -3.162 1.00 0.00 C ATOM 55 C TRP A 37 -7.193 -5.110 -3.536 1.00 0.00 C ATOM 56 O TRP A 37 -6.719 -4.245 -2.795 1.00 0.00 O ATOM 57 CB TRP A 37 -8.272 -6.916 -2.133 1.00 0.00 C ATOM 58 CG TRP A 37 -7.716 -8.190 -2.689 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.394 -9.134 -3.403 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.385 -8.683 -2.537 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.558 -10.168 -3.733 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.321 -9.920 -3.207 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.239 -8.197 -1.908 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.157 -10.674 -3.262 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.085 -8.951 -1.962 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.051 -10.176 -2.635 1.00 0.00 C ATOM 0 H TRP A 37 -9.479 -7.290 -4.259 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.140 -5.042 -2.706 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.590 -6.544 -1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.217 -7.136 -1.637 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.439 -9.075 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.816 -10.988 -4.281 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.255 -7.250 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.127 -11.620 -3.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.192 -8.588 -1.476 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.130 -10.740 -2.659 1.00 0.00 H new ATOM 77 N HIS A 38 -6.596 -5.480 -4.672 1.00 0.00 N ATOM 78 CA HIS A 38 -5.462 -4.734 -5.194 1.00 0.00 C ATOM 79 C HIS A 38 -5.938 -3.422 -5.807 1.00 0.00 C ATOM 80 O HIS A 38 -6.149 -3.316 -7.016 1.00 0.00 O ATOM 81 CB HIS A 38 -4.676 -5.545 -6.224 1.00 0.00 C ATOM 82 CG HIS A 38 -3.494 -4.808 -6.795 1.00 0.00 C ATOM 83 ND1 HIS A 38 -2.295 -4.673 -6.126 1.00 0.00 N ATOM 84 CD2 HIS A 38 -3.334 -4.168 -7.977 1.00 0.00 C ATOM 85 CE1 HIS A 38 -1.454 -3.983 -6.872 1.00 0.00 C ATOM 86 NE2 HIS A 38 -2.058 -3.665 -7.999 1.00 0.00 N ATOM 0 H HIS A 38 -6.878 -6.281 -5.237 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.791 -4.522 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.329 -6.468 -5.759 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.344 -5.829 -7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.074 -4.071 -8.758 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.441 -3.723 -6.604 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.644 -3.132 -8.764 1.00 0.00 H new ATOM 95 N SER A 39 -6.121 -2.440 -4.956 1.00 0.00 N ATOM 96 CA SER A 39 -6.545 -1.122 -5.375 1.00 0.00 C ATOM 97 C SER A 39 -5.774 -0.080 -4.575 1.00 0.00 C ATOM 98 O SER A 39 -4.995 0.708 -5.115 1.00 0.00 O ATOM 99 CB SER A 39 -8.056 -0.993 -5.146 1.00 0.00 C ATOM 100 OG SER A 39 -8.517 0.318 -5.399 1.00 0.00 O ATOM 0 H SER A 39 -5.980 -2.532 -3.950 1.00 0.00 H new ATOM 0 HA SER A 39 -6.341 -0.965 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.582 -1.694 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.292 -1.269 -4.118 1.00 0.00 H new ATOM 0 HG SER A 39 -8.493 0.493 -6.363 1.00 0.00 H new ATOM 106 N LEU A 40 -5.982 -0.131 -3.276 1.00 0.00 N ATOM 107 CA LEU A 40 -5.287 0.714 -2.315 1.00 0.00 C ATOM 108 C LEU A 40 -3.895 0.167 -2.035 1.00 0.00 C ATOM 109 O LEU A 40 -2.979 0.916 -1.708 1.00 0.00 O ATOM 110 CB LEU A 40 -6.092 0.771 -1.016 1.00 0.00 C ATOM 111 CG LEU A 40 -7.141 -0.339 -0.869 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.440 -0.610 0.586 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.425 0.037 -1.603 1.00 0.00 C ATOM 0 H LEU A 40 -6.650 -0.771 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.188 1.717 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.403 0.716 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.593 1.737 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.732 -1.247 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.186 -1.401 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.527 -0.922 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.823 0.297 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.157 -0.762 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.826 0.960 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.210 0.182 -2.662 1.00 0.00 H new ATOM 125 N VAL A 41 -3.747 -1.151 -2.147 1.00 0.00 N ATOM 126 CA VAL A 41 -2.467 -1.788 -1.951 1.00 0.00 C ATOM 127 C VAL A 41 -1.624 -1.696 -3.221 1.00 0.00 C ATOM 128 O VAL A 41 -1.986 -2.232 -4.273 1.00 0.00 O ATOM 129 CB VAL A 41 -2.631 -3.265 -1.520 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.363 -4.091 -2.571 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.282 -3.870 -1.213 1.00 0.00 C ATOM 0 H VAL A 41 -4.507 -1.792 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.953 -1.260 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.243 -3.279 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.455 -5.121 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.356 -3.673 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.802 -4.071 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.410 -4.909 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.652 -3.825 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.809 -3.313 -0.405 1.00 0.00 H new ATOM 141 N PRO A 42 -0.506 -0.976 -3.152 1.00 0.00 N ATOM 142 CA PRO A 42 0.410 -0.846 -4.264 1.00 0.00 C ATOM 143 C PRO A 42 1.507 -1.902 -4.221 1.00 0.00 C ATOM 144 O PRO A 42 1.372 -2.940 -3.564 1.00 0.00 O ATOM 145 CB PRO A 42 0.989 0.547 -4.031 1.00 0.00 C ATOM 146 CG PRO A 42 1.038 0.686 -2.545 1.00 0.00 C ATOM 147 CD PRO A 42 -0.045 -0.207 -1.983 1.00 0.00 C ATOM 0 HA PRO A 42 -0.067 -0.978 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.981 0.644 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.364 1.318 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.016 0.394 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.876 1.722 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.341 -0.861 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.854 0.375 -1.542 1.00 0.00 H new ATOM 155 N PHE A 43 2.579 -1.635 -4.934 1.00 0.00 N ATOM 156 CA PHE A 43 3.746 -2.491 -4.928 1.00 0.00 C ATOM 157 C PHE A 43 4.977 -1.622 -5.077 1.00 0.00 C ATOM 158 O PHE A 43 4.938 -0.601 -5.768 1.00 0.00 O ATOM 159 CB PHE A 43 3.667 -3.529 -6.058 1.00 0.00 C ATOM 160 CG PHE A 43 3.495 -2.939 -7.433 1.00 0.00 C ATOM 161 CD1 PHE A 43 2.232 -2.661 -7.927 1.00 0.00 C ATOM 162 CD2 PHE A 43 4.597 -2.666 -8.230 1.00 0.00 C ATOM 163 CE1 PHE A 43 2.070 -2.119 -9.187 1.00 0.00 C ATOM 164 CE2 PHE A 43 4.441 -2.125 -9.491 1.00 0.00 C ATOM 165 CZ PHE A 43 3.175 -1.850 -9.971 1.00 0.00 C ATOM 0 H PHE A 43 2.667 -0.816 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 43 3.796 -3.040 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.575 -4.132 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.834 -4.203 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.363 -2.870 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.589 -2.879 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.079 -1.905 -9.559 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.308 -1.917 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.050 -1.426 -10.956 1.00 0.00 H new ATOM 175 N LEU A 44 6.055 -1.988 -4.407 1.00 0.00 N ATOM 176 CA LEU A 44 7.282 -1.233 -4.535 1.00 0.00 C ATOM 177 C LEU A 44 7.978 -1.664 -5.831 1.00 0.00 C ATOM 178 O LEU A 44 7.638 -2.716 -6.380 1.00 0.00 O ATOM 179 CB LEU A 44 8.167 -1.364 -3.256 1.00 0.00 C ATOM 180 CG LEU A 44 9.093 -2.589 -3.102 1.00 0.00 C ATOM 181 CD1 LEU A 44 8.415 -3.892 -3.486 1.00 0.00 C ATOM 182 CD2 LEU A 44 10.379 -2.394 -3.882 1.00 0.00 C ATOM 0 H LEU A 44 6.104 -2.790 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 44 7.074 -0.166 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.791 -0.472 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.501 -1.346 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 44 9.336 -2.667 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.115 -4.718 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.545 -4.051 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.098 -3.844 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.016 -3.270 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.147 -2.260 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.900 -1.512 -3.510 1.00 0.00 H new ATOM 194 N ALA A 45 8.906 -0.850 -6.330 1.00 0.00 N ATOM 195 CA ALA A 45 9.532 -1.084 -7.640 1.00 0.00 C ATOM 196 C ALA A 45 9.976 -2.538 -7.813 1.00 0.00 C ATOM 197 O ALA A 45 10.612 -3.106 -6.928 1.00 0.00 O ATOM 198 CB ALA A 45 10.719 -0.153 -7.829 1.00 0.00 C ATOM 0 H ALA A 45 9.246 -0.018 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 45 8.780 -0.876 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.174 -0.336 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.382 0.882 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.454 -0.337 -7.045 1.00 0.00 H new ATOM 204 N PRO A 46 9.616 -3.148 -8.966 1.00 0.00 N ATOM 205 CA PRO A 46 9.943 -4.545 -9.294 1.00 0.00 C ATOM 206 C PRO A 46 11.360 -4.938 -8.893 1.00 0.00 C ATOM 207 O PRO A 46 12.331 -4.584 -9.564 1.00 0.00 O ATOM 208 CB PRO A 46 9.789 -4.575 -10.811 1.00 0.00 C ATOM 209 CG PRO A 46 8.708 -3.592 -11.091 1.00 0.00 C ATOM 210 CD PRO A 46 8.844 -2.509 -10.052 1.00 0.00 C ATOM 0 HA PRO A 46 9.306 -5.250 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.717 -4.298 -11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.522 -5.571 -11.164 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.806 -3.182 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.728 -4.065 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.363 -1.637 -10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.870 -2.168 -9.702 1.00 0.00 H new ATOM 218 N SER A 47 11.463 -5.686 -7.805 1.00 0.00 N ATOM 219 CA SER A 47 12.746 -6.026 -7.222 1.00 0.00 C ATOM 220 C SER A 47 13.413 -7.183 -7.961 1.00 0.00 C ATOM 221 O SER A 47 14.318 -6.978 -8.771 1.00 0.00 O ATOM 222 CB SER A 47 12.553 -6.362 -5.742 1.00 0.00 C ATOM 223 OG SER A 47 11.513 -7.313 -5.569 1.00 0.00 O ATOM 0 H SER A 47 10.662 -6.072 -7.305 1.00 0.00 H new ATOM 0 HA SER A 47 13.410 -5.167 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.483 -6.755 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.317 -5.454 -5.187 1.00 0.00 H new ATOM 0 HG SER A 47 10.809 -6.929 -5.005 1.00 0.00 H new ATOM 229 N GLN A 48 12.965 -8.396 -7.689 1.00 0.00 N ATOM 230 CA GLN A 48 13.542 -9.569 -8.303 1.00 0.00 C ATOM 231 C GLN A 48 12.782 -9.911 -9.577 1.00 0.00 C ATOM 232 O GLN A 48 11.777 -10.648 -9.494 1.00 0.00 O ATOM 233 CB GLN A 48 13.516 -10.738 -7.316 1.00 0.00 C ATOM 234 CG GLN A 48 14.670 -11.711 -7.481 1.00 0.00 C ATOM 235 CD GLN A 48 14.633 -12.474 -8.792 1.00 0.00 C ATOM 236 OE1 GLN A 48 15.191 -12.035 -9.798 1.00 0.00 O ATOM 237 NE2 GLN A 48 13.979 -13.623 -8.786 1.00 0.00 N ATOM 238 OXT GLN A 48 13.179 -9.417 -10.650 1.00 0.00 O ATOM 0 H GLN A 48 12.200 -8.590 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 48 14.580 -9.369 -8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.530 -10.343 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.578 -11.280 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.610 -11.163 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.657 -12.422 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.531 -13.950 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.923 -14.182 -9.637 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -27.314 15.882 -2.063 1.00 0.00 N ATOM 249 CA ALA B 567 -26.369 14.897 -1.497 1.00 0.00 C ATOM 250 C ALA B 567 -25.361 14.468 -2.553 1.00 0.00 C ATOM 251 O ALA B 567 -25.725 14.216 -3.702 1.00 0.00 O ATOM 252 CB ALA B 567 -27.119 13.689 -0.957 1.00 0.00 C ATOM 0 HA ALA B 567 -25.832 15.365 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -26.408 12.974 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -27.808 14.008 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -27.680 13.218 -1.764 1.00 0.00 H new ATOM 258 N PRO B 568 -24.080 14.374 -2.172 1.00 0.00 N ATOM 259 CA PRO B 568 -22.998 14.048 -3.103 1.00 0.00 C ATOM 260 C PRO B 568 -23.023 12.585 -3.527 1.00 0.00 C ATOM 261 O PRO B 568 -23.533 11.727 -2.804 1.00 0.00 O ATOM 262 CB PRO B 568 -21.735 14.349 -2.295 1.00 0.00 C ATOM 263 CG PRO B 568 -22.137 14.179 -0.872 1.00 0.00 C ATOM 264 CD PRO B 568 -23.590 14.562 -0.794 1.00 0.00 C ATOM 0 HA PRO B 568 -23.072 14.615 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -20.926 13.669 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -21.377 15.361 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -21.988 13.149 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -21.533 14.810 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -24.132 13.933 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -23.714 15.593 -0.463 1.00 0.00 H new ATOM 272 N PRO B 569 -22.468 12.276 -4.709 1.00 0.00 N ATOM 273 CA PRO B 569 -22.380 10.905 -5.211 1.00 0.00 C ATOM 274 C PRO B 569 -21.208 10.149 -4.593 1.00 0.00 C ATOM 275 O PRO B 569 -20.568 9.327 -5.253 1.00 0.00 O ATOM 276 CB PRO B 569 -22.167 11.105 -6.708 1.00 0.00 C ATOM 277 CG PRO B 569 -21.415 12.388 -6.809 1.00 0.00 C ATOM 278 CD PRO B 569 -21.882 13.245 -5.658 1.00 0.00 C ATOM 0 HA PRO B 569 -23.261 10.310 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -21.604 10.279 -7.143 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -23.117 11.158 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -20.340 12.214 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -21.609 12.879 -7.763 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -21.055 13.795 -5.208 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -22.617 13.982 -5.981 1.00 0.00 H new ATOM 286 N THR B 570 -20.953 10.439 -3.315 1.00 0.00 N ATOM 287 CA THR B 570 -19.844 9.882 -2.557 1.00 0.00 C ATOM 288 C THR B 570 -18.507 9.983 -3.296 1.00 0.00 C ATOM 289 O THR B 570 -18.382 10.683 -4.306 1.00 0.00 O ATOM 290 CB THR B 570 -20.128 8.427 -2.133 1.00 0.00 C ATOM 291 OG1 THR B 570 -20.548 7.633 -3.251 1.00 0.00 O ATOM 292 CG2 THR B 570 -21.191 8.377 -1.046 1.00 0.00 C ATOM 0 H THR B 570 -21.528 11.083 -2.772 1.00 0.00 H new ATOM 0 HA THR B 570 -19.753 10.492 -1.658 1.00 0.00 H new ATOM 0 HB THR B 570 -19.198 8.016 -1.741 1.00 0.00 H new ATOM 0 HG1 THR B 570 -20.232 8.045 -4.082 1.00 0.00 H new ATOM 0 HG21 THR B 570 -21.374 7.340 -0.764 1.00 0.00 H new ATOM 0 HG22 THR B 570 -20.847 8.935 -0.175 1.00 0.00 H new ATOM 0 HG23 THR B 570 -22.114 8.820 -1.419 1.00 0.00 H new ATOM 300 N LEU B 571 -17.501 9.319 -2.758 1.00 0.00 N ATOM 301 CA LEU B 571 -16.184 9.298 -3.357 1.00 0.00 C ATOM 302 C LEU B 571 -16.035 8.071 -4.248 1.00 0.00 C ATOM 303 O LEU B 571 -16.709 7.060 -4.029 1.00 0.00 O ATOM 304 CB LEU B 571 -15.126 9.283 -2.256 1.00 0.00 C ATOM 305 CG LEU B 571 -15.061 10.540 -1.402 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.210 10.301 -0.167 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.496 11.673 -2.221 1.00 0.00 C ATOM 0 H LEU B 571 -17.576 8.781 -1.895 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.051 10.190 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.315 8.430 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.150 9.124 -2.714 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.067 10.802 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.175 11.211 0.432 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -14.644 9.494 0.424 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.199 10.026 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -14.449 12.575 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.494 11.412 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -15.137 11.853 -3.084 1.00 0.00 H new ATOM 319 N PRO B 572 -15.170 8.154 -5.278 1.00 0.00 N ATOM 320 CA PRO B 572 -14.888 7.030 -6.170 1.00 0.00 C ATOM 321 C PRO B 572 -14.616 5.731 -5.411 1.00 0.00 C ATOM 322 O PRO B 572 -13.877 5.708 -4.426 1.00 0.00 O ATOM 323 CB PRO B 572 -13.647 7.485 -6.931 1.00 0.00 C ATOM 324 CG PRO B 572 -13.750 8.968 -6.958 1.00 0.00 C ATOM 325 CD PRO B 572 -14.419 9.363 -5.668 1.00 0.00 C ATOM 0 HA PRO B 572 -15.736 6.799 -6.815 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -12.734 7.160 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.625 7.070 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.764 9.426 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.331 9.303 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.689 9.643 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.081 10.218 -5.806 1.00 0.00 H new ATOM 333 N PRO B 573 -15.198 4.632 -5.899 1.00 0.00 N ATOM 334 CA PRO B 573 -15.230 3.339 -5.203 1.00 0.00 C ATOM 335 C PRO B 573 -13.921 2.565 -5.300 1.00 0.00 C ATOM 336 O PRO B 573 -13.812 1.447 -4.794 1.00 0.00 O ATOM 337 CB PRO B 573 -16.331 2.598 -5.942 1.00 0.00 C ATOM 338 CG PRO B 573 -16.229 3.115 -7.329 1.00 0.00 C ATOM 339 CD PRO B 573 -15.867 4.562 -7.204 1.00 0.00 C ATOM 0 HA PRO B 573 -15.393 3.460 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.183 1.519 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.311 2.801 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.472 2.571 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.172 2.993 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.209 4.883 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.749 5.202 -7.239 1.00 0.00 H new ATOM 347 N TYR B 574 -12.955 3.149 -5.986 1.00 0.00 N ATOM 348 CA TYR B 574 -11.637 2.533 -6.137 1.00 0.00 C ATOM 349 C TYR B 574 -10.981 2.231 -4.796 1.00 0.00 C ATOM 350 O TYR B 574 -10.937 1.077 -4.366 1.00 0.00 O ATOM 351 CB TYR B 574 -10.727 3.410 -6.998 1.00 0.00 C ATOM 352 CG TYR B 574 -9.415 2.764 -7.407 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.400 1.617 -8.193 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.195 3.307 -7.024 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.208 1.032 -8.581 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.000 2.727 -7.407 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.011 1.589 -8.185 1.00 0.00 C ATOM 358 OH TYR B 574 -5.821 1.010 -8.572 1.00 0.00 O ATOM 0 H TYR B 574 -13.053 4.052 -6.451 1.00 0.00 H new ATOM 0 HA TYR B 574 -11.786 1.578 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.270 3.697 -7.899 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.508 4.327 -6.452 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.335 1.175 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.180 4.199 -6.416 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.215 0.142 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.062 3.164 -7.098 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.072 1.528 -8.209 1.00 0.00 H new ATOM 368 N PHE B 575 -10.460 3.249 -4.143 1.00 0.00 N ATOM 369 CA PHE B 575 -9.768 3.059 -2.883 1.00 0.00 C ATOM 370 C PHE B 575 -10.177 4.135 -1.894 1.00 0.00 C ATOM 371 O PHE B 575 -9.678 4.190 -0.774 1.00 0.00 O ATOM 372 CB PHE B 575 -8.256 3.115 -3.112 1.00 0.00 C ATOM 373 CG PHE B 575 -7.717 4.512 -3.188 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.138 5.383 -4.178 1.00 0.00 C ATOM 375 CD2 PHE B 575 -6.807 4.962 -2.245 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.659 6.671 -4.232 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.329 6.252 -2.291 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.756 7.106 -3.287 1.00 0.00 C ATOM 0 H PHE B 575 -10.502 4.217 -4.463 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.036 2.084 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.754 2.583 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.016 2.590 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.851 5.047 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.469 4.294 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.990 7.340 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.622 6.595 -1.550 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.381 8.118 -3.326 1.00 0.00 H new ATOM 388 N MET B 576 -11.081 4.996 -2.320 1.00 0.00 N ATOM 389 CA MET B 576 -11.444 6.154 -1.504 1.00 0.00 C ATOM 390 C MET B 576 -12.405 5.757 -0.388 1.00 0.00 C ATOM 391 O MET B 576 -13.021 4.694 -0.447 1.00 0.00 O ATOM 392 CB MET B 576 -12.026 7.271 -2.365 1.00 0.00 C ATOM 393 CG MET B 576 -11.087 7.715 -3.461 1.00 0.00 C ATOM 394 SD MET B 576 -11.516 9.319 -4.158 1.00 0.00 S ATOM 395 CE MET B 576 -10.335 9.423 -5.501 1.00 0.00 C ATOM 0 H MET B 576 -11.574 4.925 -3.210 1.00 0.00 H new ATOM 0 HA MET B 576 -10.535 6.535 -1.039 1.00 0.00 H new ATOM 0 HB2 MET B 576 -12.961 6.931 -2.810 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.266 8.124 -1.731 1.00 0.00 H new ATOM 0 HG2 MET B 576 -10.072 7.758 -3.066 1.00 0.00 H new ATOM 0 HG3 MET B 576 -11.088 6.969 -4.256 1.00 0.00 H new ATOM 0 HE1 MET B 576 -10.165 10.469 -5.755 1.00 0.00 H new ATOM 0 HE2 MET B 576 -9.394 8.966 -5.194 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.727 8.897 -6.372 1.00 0.00 H new ATOM 405 N LYS B 577 -12.521 6.611 0.624 1.00 0.00 N ATOM 406 CA LYS B 577 -13.276 6.284 1.833 1.00 0.00 C ATOM 407 C LYS B 577 -14.706 5.850 1.523 1.00 0.00 C ATOM 408 O LYS B 577 -15.418 6.505 0.764 1.00 0.00 O ATOM 409 CB LYS B 577 -13.307 7.481 2.782 1.00 0.00 C ATOM 410 CG LYS B 577 -13.877 7.145 4.151 1.00 0.00 C ATOM 411 CD LYS B 577 -14.019 8.380 5.021 1.00 0.00 C ATOM 412 CE LYS B 577 -14.427 8.016 6.437 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.550 9.212 7.306 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.100 7.540 0.632 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.765 5.446 2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.295 7.868 2.902 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.901 8.277 2.333 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.851 6.670 4.033 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.228 6.423 4.648 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.074 8.923 5.041 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.762 9.049 4.587 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.379 7.485 6.415 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.691 7.333 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.830 8.918 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.636 9.705 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.271 9.852 6.916 1.00 0.00 H new ATOM 427 N GLY B 578 -15.108 4.730 2.110 1.00 0.00 N ATOM 428 CA GLY B 578 -16.472 4.263 1.985 1.00 0.00 C ATOM 429 C GLY B 578 -16.627 3.190 0.931 1.00 0.00 C ATOM 430 O GLY B 578 -17.648 2.504 0.882 1.00 0.00 O ATOM 0 H GLY B 578 -14.505 4.132 2.676 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.808 3.874 2.946 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.119 5.105 1.738 1.00 0.00 H new ATOM 434 N SER B 579 -15.616 3.040 0.097 1.00 0.00 N ATOM 435 CA SER B 579 -15.635 2.033 -0.949 1.00 0.00 C ATOM 436 C SER B 579 -15.574 0.633 -0.352 1.00 0.00 C ATOM 437 O SER B 579 -14.960 0.422 0.697 1.00 0.00 O ATOM 438 CB SER B 579 -14.460 2.260 -1.889 1.00 0.00 C ATOM 439 OG SER B 579 -14.440 3.601 -2.343 1.00 0.00 O ATOM 0 H SER B 579 -14.767 3.605 0.123 1.00 0.00 H new ATOM 0 HA SER B 579 -16.567 2.119 -1.508 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.526 2.030 -1.376 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.531 1.583 -2.740 1.00 0.00 H new ATOM 0 HG SER B 579 -13.942 4.155 -1.706 1.00 0.00 H new ATOM 445 N ILE B 580 -16.221 -0.316 -1.013 1.00 0.00 N ATOM 446 CA ILE B 580 -16.216 -1.688 -0.552 1.00 0.00 C ATOM 447 C ILE B 580 -15.138 -2.477 -1.275 1.00 0.00 C ATOM 448 O ILE B 580 -15.216 -2.710 -2.485 1.00 0.00 O ATOM 449 CB ILE B 580 -17.586 -2.367 -0.753 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.649 -1.687 0.115 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.502 -3.849 -0.425 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.341 -1.726 1.599 1.00 0.00 C ATOM 0 H ILE B 580 -16.754 -0.157 -1.868 1.00 0.00 H new ATOM 0 HA ILE B 580 -16.005 -1.674 0.517 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.872 -2.263 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.751 -0.648 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.611 -2.169 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.478 -4.310 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.772 -4.326 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.195 -3.975 0.613 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -19.138 -1.225 2.149 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.268 -2.762 1.928 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.395 -1.218 1.788 1.00 0.00 H new ATOM 464 N ILE B 581 -14.125 -2.861 -0.528 1.00 0.00 N ATOM 465 CA ILE B 581 -13.003 -3.589 -1.081 1.00 0.00 C ATOM 466 C ILE B 581 -13.211 -5.079 -0.868 1.00 0.00 C ATOM 467 O ILE B 581 -13.571 -5.509 0.232 1.00 0.00 O ATOM 468 CB ILE B 581 -11.681 -3.153 -0.416 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.594 -1.626 -0.330 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.492 -3.698 -1.181 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.684 -0.917 -1.662 1.00 0.00 C ATOM 0 H ILE B 581 -14.056 -2.679 0.473 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.941 -3.371 -2.147 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.663 -3.560 0.595 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.395 -1.265 0.314 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.653 -1.355 0.149 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.570 -3.379 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.537 -4.787 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.513 -3.321 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.614 0.160 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.867 -1.245 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.636 -1.154 -2.137 1.00 0.00 H new ATOM 483 N GLN B 582 -13.008 -5.863 -1.916 1.00 0.00 N ATOM 484 CA GLN B 582 -13.213 -7.295 -1.830 1.00 0.00 C ATOM 485 C GLN B 582 -11.896 -8.029 -1.755 1.00 0.00 C ATOM 486 O GLN B 582 -11.091 -7.987 -2.682 1.00 0.00 O ATOM 487 CB GLN B 582 -14.020 -7.806 -3.012 1.00 0.00 C ATOM 488 CG GLN B 582 -14.190 -9.323 -3.016 1.00 0.00 C ATOM 489 CD GLN B 582 -14.869 -9.839 -4.270 1.00 0.00 C ATOM 490 OE1 GLN B 582 -14.697 -9.284 -5.355 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.651 -10.898 -4.133 1.00 0.00 N ATOM 0 H GLN B 582 -12.703 -5.531 -2.831 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.774 -7.487 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.004 -7.337 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.531 -7.500 -3.937 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.211 -9.793 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.774 -9.620 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -15.768 -11.330 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.136 -11.282 -4.944 1.00 0.00 H new ATOM 500 N LEU B 583 -11.701 -8.711 -0.648 1.00 0.00 N ATOM 501 CA LEU B 583 -10.487 -9.455 -0.403 1.00 0.00 C ATOM 502 C LEU B 583 -10.581 -10.834 -1.032 1.00 0.00 C ATOM 503 O LEU B 583 -11.675 -11.307 -1.347 1.00 0.00 O ATOM 504 CB LEU B 583 -10.283 -9.547 1.096 1.00 0.00 C ATOM 505 CG LEU B 583 -10.255 -8.192 1.796 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.147 -8.378 3.293 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.108 -7.347 1.260 1.00 0.00 C ATOM 0 H LEU B 583 -12.382 -8.765 0.109 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.633 -8.950 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.082 -10.152 1.526 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.347 -10.068 1.295 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.187 -7.665 1.589 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.128 -7.403 3.780 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -11.005 -8.946 3.652 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.230 -8.919 3.527 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.099 -6.382 1.767 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.163 -7.860 1.439 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.240 -7.192 0.189 1.00 0.00 H new ATOM 519 N ALA B 584 -9.429 -11.477 -1.212 1.00 0.00 N ATOM 520 CA ALA B 584 -9.361 -12.721 -1.973 1.00 0.00 C ATOM 521 C ALA B 584 -10.090 -13.858 -1.271 1.00 0.00 C ATOM 522 O ALA B 584 -10.427 -14.865 -1.891 1.00 0.00 O ATOM 523 CB ALA B 584 -7.920 -13.118 -2.238 1.00 0.00 C ATOM 0 H ALA B 584 -8.533 -11.158 -0.842 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.860 -12.537 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.897 -14.048 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.425 -12.332 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.401 -13.260 -1.290 1.00 0.00 H new ATOM 529 N ASN B 585 -10.319 -13.700 0.025 1.00 0.00 N ATOM 530 CA ASN B 585 -11.033 -14.702 0.798 1.00 0.00 C ATOM 531 C ASN B 585 -12.541 -14.508 0.666 1.00 0.00 C ATOM 532 O ASN B 585 -13.329 -15.315 1.161 1.00 0.00 O ATOM 533 CB ASN B 585 -10.610 -14.649 2.267 1.00 0.00 C ATOM 534 CG ASN B 585 -11.014 -13.368 2.964 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.186 -12.324 2.335 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.145 -13.436 4.275 1.00 0.00 N ATOM 0 H ASN B 585 -10.020 -12.886 0.562 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.779 -15.686 0.403 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.050 -15.495 2.795 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.528 -14.762 2.330 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.398 -12.603 4.806 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -10.993 -14.322 4.757 1.00 0.00 H new ATOM 543 N GLY B 586 -12.940 -13.429 0.001 1.00 0.00 N ATOM 544 CA GLY B 586 -14.333 -13.236 -0.323 1.00 0.00 C ATOM 545 C GLY B 586 -15.075 -12.357 0.661 1.00 0.00 C ATOM 546 O GLY B 586 -16.301 -12.252 0.590 1.00 0.00 O ATOM 0 H GLY B 586 -12.319 -12.686 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.407 -12.795 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.824 -14.208 -0.368 1.00 0.00 H new ATOM 550 N GLU B 587 -14.365 -11.718 1.581 1.00 0.00 N ATOM 551 CA GLU B 587 -15.034 -10.839 2.524 1.00 0.00 C ATOM 552 C GLU B 587 -14.940 -9.395 2.050 1.00 0.00 C ATOM 553 O GLU B 587 -13.990 -9.015 1.357 1.00 0.00 O ATOM 554 CB GLU B 587 -14.474 -10.994 3.942 1.00 0.00 C ATOM 555 CG GLU B 587 -13.097 -10.403 4.145 1.00 0.00 C ATOM 556 CD GLU B 587 -12.635 -10.514 5.585 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.114 -9.735 6.437 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.812 -11.404 5.882 1.00 0.00 O ATOM 0 H GLU B 587 -13.354 -11.789 1.692 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.085 -11.125 2.566 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.163 -10.524 4.644 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.440 -12.055 4.191 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.385 -10.913 3.496 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.106 -9.354 3.847 1.00 0.00 H new ATOM 565 N LEU B 588 -15.939 -8.608 2.405 1.00 0.00 N ATOM 566 CA LEU B 588 -16.050 -7.245 1.923 1.00 0.00 C ATOM 567 C LEU B 588 -15.940 -6.267 3.081 1.00 0.00 C ATOM 568 O LEU B 588 -16.670 -6.376 4.068 1.00 0.00 O ATOM 569 CB LEU B 588 -17.389 -7.062 1.214 1.00 0.00 C ATOM 570 CG LEU B 588 -17.721 -8.134 0.176 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.072 -7.856 -0.455 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.634 -8.212 -0.883 1.00 0.00 C ATOM 0 H LEU B 588 -16.691 -8.894 3.032 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.239 -7.048 1.222 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.181 -7.045 1.963 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.394 -6.089 0.724 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.769 -9.100 0.679 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.295 -8.627 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.842 -7.858 0.317 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.052 -6.882 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -16.890 -8.981 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.547 -7.249 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.684 -8.462 -0.411 1.00 0.00 H new ATOM 584 N LYS B 589 -15.033 -5.313 2.965 1.00 0.00 N ATOM 585 CA LYS B 589 -14.786 -4.366 4.035 1.00 0.00 C ATOM 586 C LYS B 589 -14.610 -2.956 3.488 1.00 0.00 C ATOM 587 O LYS B 589 -14.288 -2.772 2.313 1.00 0.00 O ATOM 588 CB LYS B 589 -13.536 -4.783 4.806 1.00 0.00 C ATOM 589 CG LYS B 589 -13.721 -6.047 5.631 1.00 0.00 C ATOM 590 CD LYS B 589 -12.450 -6.440 6.368 1.00 0.00 C ATOM 591 CE LYS B 589 -11.899 -5.278 7.170 1.00 0.00 C ATOM 592 NZ LYS B 589 -10.947 -5.710 8.227 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.454 -5.174 2.137 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.648 -4.366 4.703 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.719 -4.936 4.101 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.239 -3.969 5.467 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.525 -5.895 6.351 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -14.028 -6.864 4.978 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.657 -7.278 7.033 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.701 -6.778 5.652 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -11.397 -4.583 6.497 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -12.725 -4.736 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -10.425 -4.884 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -11.473 -6.151 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -10.276 -6.398 7.830 1.00 0.00 H new ATOM 606 N LYS B 590 -14.838 -1.967 4.345 1.00 0.00 N ATOM 607 CA LYS B 590 -14.600 -0.579 3.985 1.00 0.00 C ATOM 608 C LYS B 590 -13.105 -0.301 4.004 1.00 0.00 C ATOM 609 O LYS B 590 -12.388 -0.829 4.857 1.00 0.00 O ATOM 610 CB LYS B 590 -15.321 0.371 4.947 1.00 0.00 C ATOM 611 CG LYS B 590 -16.833 0.292 4.875 1.00 0.00 C ATOM 612 CD LYS B 590 -17.410 1.288 3.886 1.00 0.00 C ATOM 613 CE LYS B 590 -18.922 1.177 3.839 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.536 2.176 2.920 1.00 0.00 N1+ ATOM 0 H LYS B 590 -15.187 -2.103 5.294 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.994 -0.407 2.983 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -15.004 0.149 5.966 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -15.010 1.393 4.732 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -17.130 -0.717 4.588 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -17.253 0.478 5.863 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -17.123 2.300 4.171 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.995 1.106 2.894 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -19.200 0.173 3.518 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -19.325 1.314 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.504 1.880 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.562 3.106 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.971 2.240 2.050 1.00 0.00 H new ATOM 628 N VAL B 591 -12.655 0.526 3.072 1.00 0.00 N ATOM 629 CA VAL B 591 -11.228 0.743 2.820 1.00 0.00 C ATOM 630 C VAL B 591 -10.424 0.972 4.102 1.00 0.00 C ATOM 631 O VAL B 591 -9.365 0.378 4.297 1.00 0.00 O ATOM 632 CB VAL B 591 -10.995 1.962 1.910 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.577 1.955 1.371 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.998 2.010 0.778 1.00 0.00 C ATOM 0 H VAL B 591 -13.267 1.070 2.464 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.885 -0.172 2.338 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.136 2.860 2.511 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.427 2.823 0.729 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.872 1.992 2.201 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.411 1.045 0.795 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.803 2.884 0.156 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.908 1.107 0.174 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.006 2.074 1.188 1.00 0.00 H new ATOM 644 N GLU B 592 -10.942 1.826 4.971 1.00 0.00 N ATOM 645 CA GLU B 592 -10.191 2.293 6.132 1.00 0.00 C ATOM 646 C GLU B 592 -9.972 1.194 7.172 1.00 0.00 C ATOM 647 O GLU B 592 -9.002 1.236 7.930 1.00 0.00 O ATOM 648 CB GLU B 592 -10.913 3.476 6.779 1.00 0.00 C ATOM 649 CG GLU B 592 -12.290 3.132 7.324 1.00 0.00 C ATOM 650 CD GLU B 592 -13.010 4.336 7.890 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.837 4.627 9.092 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -13.756 4.992 7.138 1.00 0.00 O ATOM 0 H GLU B 592 -11.883 2.213 4.896 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.209 2.602 5.774 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.298 3.865 7.591 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -11.013 4.275 6.044 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.893 2.694 6.528 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.190 2.375 8.101 1.00 0.00 H new ATOM 659 N ASP B 593 -10.855 0.207 7.194 1.00 0.00 N ATOM 660 CA ASP B 593 -10.839 -0.803 8.246 1.00 0.00 C ATOM 661 C ASP B 593 -10.102 -2.059 7.795 1.00 0.00 C ATOM 662 O ASP B 593 -9.931 -3.010 8.560 1.00 0.00 O ATOM 663 CB ASP B 593 -12.277 -1.133 8.671 1.00 0.00 C ATOM 664 CG ASP B 593 -12.356 -2.193 9.752 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.865 -1.950 10.873 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.927 -3.272 9.490 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.590 0.082 6.498 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.301 -0.401 9.105 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.760 -0.224 9.028 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.837 -1.471 7.799 1.00 0.00 H new ATOM 671 N LEU B 594 -9.665 -2.059 6.549 1.00 0.00 N ATOM 672 CA LEU B 594 -8.857 -3.140 6.028 1.00 0.00 C ATOM 673 C LEU B 594 -7.550 -3.241 6.798 1.00 0.00 C ATOM 674 O LEU B 594 -6.793 -2.275 6.898 1.00 0.00 O ATOM 675 CB LEU B 594 -8.587 -2.915 4.550 1.00 0.00 C ATOM 676 CG LEU B 594 -9.825 -2.966 3.660 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.523 -2.362 2.316 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.307 -4.393 3.487 1.00 0.00 C ATOM 0 H LEU B 594 -9.859 -1.316 5.877 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.399 -4.078 6.148 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -8.107 -1.944 4.426 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.878 -3.668 4.206 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.615 -2.390 4.143 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.414 -2.404 1.690 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.218 -1.323 2.444 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.717 -2.920 1.839 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.191 -4.404 2.849 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.520 -4.990 3.027 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.558 -4.813 4.461 1.00 0.00 H new ATOM 690 N LYS B 595 -7.314 -4.407 7.361 1.00 0.00 N ATOM 691 CA LYS B 595 -6.137 -4.643 8.171 1.00 0.00 C ATOM 692 C LYS B 595 -5.089 -5.399 7.371 1.00 0.00 C ATOM 693 O LYS B 595 -5.406 -5.993 6.337 1.00 0.00 O ATOM 694 CB LYS B 595 -6.517 -5.435 9.423 1.00 0.00 C ATOM 695 CG LYS B 595 -7.602 -4.773 10.259 1.00 0.00 C ATOM 696 CD LYS B 595 -7.110 -3.488 10.904 1.00 0.00 C ATOM 697 CE LYS B 595 -8.231 -2.765 11.634 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.846 -3.608 12.692 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.930 -5.215 7.271 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.718 -3.683 8.472 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.855 -6.428 9.126 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.628 -5.572 10.039 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.465 -4.557 9.629 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.937 -5.463 11.033 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -6.306 -3.716 11.604 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.691 -2.834 10.140 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.841 -1.851 12.081 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -8.997 -2.468 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -9.496 -3.030 13.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -9.373 -4.389 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -8.100 -3.996 13.304 1.00 0.00 H new ATOM 712 N THR B 596 -3.852 -5.391 7.834 1.00 0.00 N ATOM 713 CA THR B 596 -2.779 -6.059 7.113 1.00 0.00 C ATOM 714 C THR B 596 -3.055 -7.558 6.990 1.00 0.00 C ATOM 715 O THR B 596 -2.814 -8.150 5.937 1.00 0.00 O ATOM 716 CB THR B 596 -1.407 -5.819 7.781 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.365 -6.442 7.018 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.384 -6.365 9.193 1.00 0.00 C ATOM 0 H THR B 596 -3.565 -4.934 8.699 1.00 0.00 H new ATOM 0 HA THR B 596 -2.744 -5.627 6.113 1.00 0.00 H new ATOM 0 HB THR B 596 -1.241 -4.742 7.817 1.00 0.00 H new ATOM 0 HG1 THR B 596 -0.131 -7.302 7.425 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.406 -6.182 9.638 1.00 0.00 H new ATOM 0 HG22 THR B 596 -2.152 -5.869 9.787 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.578 -7.437 9.172 1.00 0.00 H new ATOM 726 N GLU B 597 -3.601 -8.155 8.052 1.00 0.00 N ATOM 727 CA GLU B 597 -3.888 -9.586 8.076 1.00 0.00 C ATOM 728 C GLU B 597 -4.907 -9.953 7.008 1.00 0.00 C ATOM 729 O GLU B 597 -4.907 -11.072 6.497 1.00 0.00 O ATOM 730 CB GLU B 597 -4.395 -10.017 9.450 1.00 0.00 C ATOM 731 CG GLU B 597 -3.425 -9.714 10.582 1.00 0.00 C ATOM 732 CD GLU B 597 -3.895 -10.258 11.916 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.827 -9.675 12.513 1.00 0.00 O ATOM 734 OE2 GLU B 597 -3.338 -11.269 12.380 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.853 -7.664 8.910 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.958 -10.114 7.866 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.342 -9.517 9.651 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.597 -11.088 9.433 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.450 -10.140 10.344 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.291 -8.635 10.661 1.00 0.00 H new ATOM 741 N ASP B 598 -5.769 -9.003 6.673 1.00 0.00 N ATOM 742 CA ASP B 598 -6.779 -9.215 5.647 1.00 0.00 C ATOM 743 C ASP B 598 -6.114 -9.440 4.296 1.00 0.00 C ATOM 744 O ASP B 598 -6.421 -10.400 3.585 1.00 0.00 O ATOM 745 CB ASP B 598 -7.735 -8.018 5.560 1.00 0.00 C ATOM 746 CG ASP B 598 -8.561 -7.820 6.814 1.00 0.00 C ATOM 747 OD1 ASP B 598 -9.070 -8.815 7.368 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.723 -6.660 7.244 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.789 -8.076 7.098 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.356 -10.099 5.919 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.158 -7.114 5.367 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.404 -8.157 4.711 1.00 0.00 H new ATOM 753 N PHE B 599 -5.187 -8.556 3.956 1.00 0.00 N ATOM 754 CA PHE B 599 -4.472 -8.652 2.692 1.00 0.00 C ATOM 755 C PHE B 599 -3.480 -9.802 2.712 1.00 0.00 C ATOM 756 O PHE B 599 -3.298 -10.480 1.698 1.00 0.00 O ATOM 757 CB PHE B 599 -3.766 -7.339 2.353 1.00 0.00 C ATOM 758 CG PHE B 599 -4.707 -6.292 1.826 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.801 -5.882 2.569 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.507 -5.733 0.576 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.676 -4.935 2.075 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.381 -4.786 0.078 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.465 -4.387 0.828 1.00 0.00 C ATOM 0 H PHE B 599 -4.913 -7.764 4.538 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.208 -8.850 1.913 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.269 -6.958 3.245 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.990 -7.530 1.612 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.972 -6.308 3.547 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.658 -6.040 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.525 -4.624 2.665 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.214 -4.358 -0.900 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.148 -3.646 0.440 1.00 0.00 H new ATOM 773 N ILE B 600 -2.841 -10.019 3.865 1.00 0.00 N ATOM 774 CA ILE B 600 -1.948 -11.154 4.041 1.00 0.00 C ATOM 775 C ILE B 600 -2.631 -12.443 3.616 1.00 0.00 C ATOM 776 O ILE B 600 -2.165 -13.129 2.709 1.00 0.00 O ATOM 777 CB ILE B 600 -1.497 -11.262 5.511 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.519 -10.134 5.833 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.876 -12.622 5.801 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.103 -10.081 7.283 1.00 0.00 C ATOM 0 H ILE B 600 -2.929 -9.421 4.686 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.072 -10.997 3.412 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.373 -11.164 6.152 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.371 -10.250 5.214 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.975 -9.182 5.561 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.568 -12.666 6.846 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.608 -13.405 5.605 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.007 -12.769 5.160 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.591 -9.254 7.432 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.983 -9.933 7.909 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.383 -11.017 7.556 1.00 0.00 H new ATOM 792 N GLN B 601 -3.762 -12.735 4.242 1.00 0.00 N ATOM 793 CA GLN B 601 -4.530 -13.927 3.923 1.00 0.00 C ATOM 794 C GLN B 601 -4.893 -13.966 2.451 1.00 0.00 C ATOM 795 O GLN B 601 -4.695 -14.976 1.789 1.00 0.00 O ATOM 796 CB GLN B 601 -5.802 -13.977 4.757 1.00 0.00 C ATOM 797 CG GLN B 601 -5.548 -14.195 6.231 1.00 0.00 C ATOM 798 CD GLN B 601 -6.825 -14.152 7.039 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.479 -15.174 7.241 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.195 -12.967 7.496 1.00 0.00 N ATOM 0 H GLN B 601 -4.169 -12.158 4.978 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.909 -14.792 4.154 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.351 -13.044 4.625 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.440 -14.778 4.384 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.060 -15.159 6.376 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.862 -13.432 6.597 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.622 -12.145 7.305 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.053 -12.875 8.040 1.00 0.00 H new ATOM 809 N SER B 602 -5.404 -12.854 1.942 1.00 0.00 N ATOM 810 CA SER B 602 -5.885 -12.794 0.570 1.00 0.00 C ATOM 811 C SER B 602 -4.828 -13.276 -0.428 1.00 0.00 C ATOM 812 O SER B 602 -5.119 -14.089 -1.307 1.00 0.00 O ATOM 813 CB SER B 602 -6.330 -11.372 0.231 1.00 0.00 C ATOM 814 OG SER B 602 -7.392 -10.961 1.076 1.00 0.00 O ATOM 0 H SER B 602 -5.496 -11.980 2.460 1.00 0.00 H new ATOM 0 HA SER B 602 -6.739 -13.467 0.489 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.488 -10.688 0.338 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.649 -11.325 -0.810 1.00 0.00 H new ATOM 0 HG SER B 602 -7.028 -10.643 1.928 1.00 0.00 H new ATOM 820 N ALA B 603 -3.600 -12.804 -0.275 1.00 0.00 N ATOM 821 CA ALA B 603 -2.538 -13.166 -1.198 1.00 0.00 C ATOM 822 C ALA B 603 -2.046 -14.588 -0.949 1.00 0.00 C ATOM 823 O ALA B 603 -1.564 -15.256 -1.860 1.00 0.00 O ATOM 824 CB ALA B 603 -1.392 -12.183 -1.092 1.00 0.00 C ATOM 0 H ALA B 603 -3.316 -12.173 0.475 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.944 -13.127 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.604 -12.467 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.748 -11.182 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -0.998 -12.192 -0.076 1.00 0.00 H new ATOM 830 N GLU B 604 -2.158 -15.041 0.293 1.00 0.00 N ATOM 831 CA GLU B 604 -1.756 -16.390 0.663 1.00 0.00 C ATOM 832 C GLU B 604 -2.718 -17.435 0.096 1.00 0.00 C ATOM 833 O GLU B 604 -2.297 -18.494 -0.379 1.00 0.00 O ATOM 834 CB GLU B 604 -1.705 -16.495 2.183 1.00 0.00 C ATOM 835 CG GLU B 604 -0.621 -15.638 2.805 1.00 0.00 C ATOM 836 CD GLU B 604 0.764 -16.223 2.631 1.00 0.00 C ATOM 837 OE1 GLU B 604 0.994 -17.364 3.089 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.633 -15.546 2.045 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.527 -14.488 1.066 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.770 -16.588 0.242 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.671 -16.202 2.594 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.542 -17.536 2.464 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.649 -14.644 2.358 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.827 -15.515 3.868 1.00 0.00 H new ATOM 845 N ILE B 605 -4.006 -17.127 0.156 1.00 0.00 N ATOM 846 CA ILE B 605 -5.045 -18.033 -0.315 1.00 0.00 C ATOM 847 C ILE B 605 -5.009 -18.172 -1.836 1.00 0.00 C ATOM 848 O ILE B 605 -4.968 -19.282 -2.371 1.00 0.00 O ATOM 849 CB ILE B 605 -6.436 -17.528 0.125 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.453 -17.305 1.639 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.519 -18.519 -0.283 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.646 -16.516 2.134 1.00 0.00 C ATOM 0 H ILE B 605 -4.359 -16.247 0.531 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.858 -19.012 0.127 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.640 -16.580 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.439 -18.274 2.138 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.541 -16.784 1.929 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.492 -18.146 0.036 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.513 -18.639 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.327 -19.482 0.190 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.583 -16.402 3.216 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.651 -15.532 1.665 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.564 -17.045 1.878 1.00 0.00 H new ATOM 864 N SER B 606 -5.007 -17.045 -2.527 1.00 0.00 N ATOM 865 CA SER B 606 -4.982 -17.043 -3.981 1.00 0.00 C ATOM 866 C SER B 606 -3.540 -16.994 -4.489 1.00 0.00 C ATOM 867 O SER B 606 -2.850 -15.989 -4.328 1.00 0.00 O ATOM 868 CB SER B 606 -5.787 -15.855 -4.504 1.00 0.00 C ATOM 869 OG SER B 606 -7.144 -15.933 -4.088 1.00 0.00 O ATOM 0 H SER B 606 -5.022 -16.117 -2.104 1.00 0.00 H new ATOM 0 HA SER B 606 -5.435 -17.963 -4.351 1.00 0.00 H new ATOM 0 HB2 SER B 606 -5.346 -14.926 -4.143 1.00 0.00 H new ATOM 0 HB3 SER B 606 -5.738 -15.830 -5.593 1.00 0.00 H new ATOM 0 HG SER B 606 -7.697 -15.370 -4.669 1.00 0.00 H new ATOM 875 N ASN B 607 -3.098 -18.082 -5.116 1.00 0.00 N ATOM 876 CA ASN B 607 -1.697 -18.242 -5.517 1.00 0.00 C ATOM 877 C ASN B 607 -1.291 -17.254 -6.606 1.00 0.00 C ATOM 878 O ASN B 607 -0.105 -16.966 -6.777 1.00 0.00 O ATOM 879 CB ASN B 607 -1.436 -19.665 -6.012 1.00 0.00 C ATOM 880 CG ASN B 607 -1.683 -20.727 -4.956 1.00 0.00 C ATOM 881 OD1 ASN B 607 -1.477 -20.384 -3.693 1.00 0.00 O flip ATOM 882 ND2 ASN B 607 -2.053 -21.857 -5.278 1.00 0.00 N flip ATOM 0 H ASN B 607 -3.693 -18.873 -5.360 1.00 0.00 H new ATOM 0 HA ASN B 607 -1.095 -18.040 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -2.074 -19.865 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -0.404 -19.738 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -2.201 -22.084 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -2.211 -22.565 -4.561 1.00 0.00 H new ATOM 889 N ASP B 608 -2.272 -16.742 -7.343 1.00 0.00 N ATOM 890 CA ASP B 608 -2.006 -15.767 -8.401 1.00 0.00 C ATOM 891 C ASP B 608 -1.502 -14.463 -7.805 1.00 0.00 C ATOM 892 O ASP B 608 -0.899 -13.641 -8.492 1.00 0.00 O ATOM 893 CB ASP B 608 -3.261 -15.504 -9.238 1.00 0.00 C ATOM 894 CG ASP B 608 -3.629 -16.671 -10.129 1.00 0.00 C ATOM 895 OD1 ASP B 608 -3.155 -16.718 -11.284 1.00 0.00 O ATOM 896 OD2 ASP B 608 -4.400 -17.548 -9.684 1.00 0.00 O1- ATOM 0 H ASP B 608 -3.256 -16.984 -7.229 1.00 0.00 H new ATOM 0 HA ASP B 608 -1.238 -16.184 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.096 -15.284 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -3.102 -14.619 -9.854 1.00 0.00 H new ATOM 901 N LEU B 609 -1.780 -14.262 -6.528 1.00 0.00 N ATOM 902 CA LEU B 609 -1.289 -13.106 -5.813 1.00 0.00 C ATOM 903 C LEU B 609 -0.243 -13.531 -4.800 1.00 0.00 C ATOM 904 O LEU B 609 -0.068 -14.722 -4.542 1.00 0.00 O ATOM 905 CB LEU B 609 -2.429 -12.400 -5.089 1.00 0.00 C ATOM 906 CG LEU B 609 -3.609 -11.985 -5.963 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.147 -11.502 -7.322 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.621 -13.107 -6.100 1.00 0.00 C ATOM 0 H LEU B 609 -2.349 -14.894 -5.964 1.00 0.00 H new ATOM 0 HA LEU B 609 -0.846 -12.420 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.797 -13.057 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.030 -11.510 -4.602 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.104 -11.152 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.012 -11.214 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.489 -10.642 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.607 -12.302 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.448 -12.777 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.143 -13.974 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.000 -13.377 -5.114 1.00 0.00 H new ATOM 920 N LYS B 610 0.470 -12.562 -4.247 1.00 0.00 N ATOM 921 CA LYS B 610 1.374 -12.820 -3.138 1.00 0.00 C ATOM 922 C LYS B 610 1.873 -11.522 -2.528 1.00 0.00 C ATOM 923 O LYS B 610 2.076 -10.520 -3.230 1.00 0.00 O ATOM 924 CB LYS B 610 2.544 -13.711 -3.566 1.00 0.00 C ATOM 925 CG LYS B 610 3.273 -13.247 -4.808 1.00 0.00 C ATOM 926 CD LYS B 610 4.081 -14.373 -5.442 1.00 0.00 C ATOM 927 CE LYS B 610 3.209 -15.316 -6.268 1.00 0.00 C ATOM 928 NZ LYS B 610 2.229 -16.082 -5.445 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.440 -11.588 -4.549 1.00 0.00 H new ATOM 0 HA LYS B 610 0.812 -13.357 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.257 -13.770 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.170 -14.721 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.553 -12.864 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.937 -12.422 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.856 -13.947 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.586 -14.940 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS B 610 2.670 -14.738 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS B 610 3.849 -16.016 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 1.825 -16.853 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 2.710 -16.481 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 1.467 -15.447 -5.132 1.00 0.00 H new ATOM 942 N ILE B 611 2.023 -11.553 -1.210 1.00 0.00 N ATOM 943 CA ILE B 611 2.515 -10.420 -0.448 1.00 0.00 C ATOM 944 C ILE B 611 4.030 -10.415 -0.473 1.00 0.00 C ATOM 945 O ILE B 611 4.661 -11.472 -0.473 1.00 0.00 O ATOM 946 CB ILE B 611 2.078 -10.497 1.031 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.552 -10.559 1.167 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.640 -9.328 1.811 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.143 -9.214 1.275 1.00 0.00 C ATOM 0 H ILE B 611 1.805 -12.370 -0.640 1.00 0.00 H new ATOM 0 HA ILE B 611 2.103 -9.518 -0.902 1.00 0.00 H new ATOM 0 HB ILE B 611 2.480 -11.420 1.449 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.148 -11.090 0.305 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.306 -11.149 2.050 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.322 -9.398 2.851 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.729 -9.348 1.762 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.274 -8.395 1.382 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.218 -9.366 1.367 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.225 -8.684 2.153 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.065 -8.624 0.382 1.00 0.00 H new ATOM 961 N ASP B 612 4.603 -9.235 -0.476 1.00 0.00 N ATOM 962 CA ASP B 612 6.036 -9.090 -0.401 1.00 0.00 C ATOM 963 C ASP B 612 6.446 -8.524 0.943 1.00 0.00 C ATOM 964 O ASP B 612 5.620 -8.005 1.693 1.00 0.00 O ATOM 965 CB ASP B 612 6.547 -8.173 -1.501 1.00 0.00 C ATOM 966 CG ASP B 612 6.599 -8.825 -2.867 1.00 0.00 C ATOM 967 OD1 ASP B 612 7.214 -9.908 -2.991 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 6.043 -8.251 -3.827 1.00 0.00 O ATOM 0 H ASP B 612 4.092 -8.354 -0.530 1.00 0.00 H new ATOM 0 HA ASP B 612 6.473 -10.080 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP B 612 5.907 -7.292 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP B 612 7.546 -7.826 -1.237 1.00 0.00 H new ATOM 973 N SER B 613 7.724 -8.628 1.241 1.00 0.00 N ATOM 974 CA SER B 613 8.269 -8.060 2.453 1.00 0.00 C ATOM 975 C SER B 613 9.531 -7.271 2.130 1.00 0.00 C ATOM 976 O SER B 613 10.578 -7.846 1.827 1.00 0.00 O ATOM 977 CB SER B 613 8.565 -9.163 3.469 1.00 0.00 C ATOM 978 OG SER B 613 7.454 -10.038 3.596 1.00 0.00 O ATOM 0 H SER B 613 8.409 -9.105 0.654 1.00 0.00 H new ATOM 0 HA SER B 613 7.536 -7.382 2.891 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.444 -9.726 3.156 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.798 -8.720 4.437 1.00 0.00 H new ATOM 0 HG SER B 613 7.075 -9.957 4.496 1.00 0.00 H new ATOM 984 N SER B 614 9.416 -5.952 2.164 1.00 0.00 N ATOM 985 CA SER B 614 10.541 -5.085 1.851 1.00 0.00 C ATOM 986 C SER B 614 10.613 -3.940 2.861 1.00 0.00 C ATOM 987 O SER B 614 9.757 -3.057 2.874 1.00 0.00 O ATOM 988 CB SER B 614 10.400 -4.555 0.423 1.00 0.00 C ATOM 989 OG SER B 614 10.152 -5.617 -0.484 1.00 0.00 O ATOM 0 H SER B 614 8.556 -5.459 2.405 1.00 0.00 H new ATOM 0 HA SER B 614 11.470 -5.652 1.916 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.585 -3.833 0.377 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.309 -4.028 0.134 1.00 0.00 H new ATOM 0 HG SER B 614 9.754 -5.260 -1.305 1.00 0.00 H new ATOM 995 N THR B 615 11.618 -3.979 3.725 1.00 0.00 N ATOM 996 CA THR B 615 11.768 -2.984 4.781 1.00 0.00 C ATOM 997 C THR B 615 12.348 -1.684 4.248 1.00 0.00 C ATOM 998 O THR B 615 13.485 -1.649 3.791 1.00 0.00 O ATOM 999 CB THR B 615 12.675 -3.518 5.909 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.080 -4.681 6.495 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.915 -2.456 6.981 1.00 0.00 C ATOM 0 H THR B 615 12.346 -4.693 3.716 1.00 0.00 H new ATOM 0 HA THR B 615 10.772 -2.785 5.176 1.00 0.00 H new ATOM 0 HB THR B 615 13.641 -3.779 5.476 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.659 -5.019 7.210 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.558 -2.865 7.761 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.397 -1.588 6.532 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.962 -2.157 7.417 1.00 0.00 H new ATOM 1009 N VAL B 616 11.560 -0.614 4.289 1.00 0.00 N ATOM 1010 CA VAL B 616 12.070 0.696 3.939 1.00 0.00 C ATOM 1011 C VAL B 616 13.203 1.094 4.876 1.00 0.00 C ATOM 1012 O VAL B 616 13.042 1.140 6.092 1.00 0.00 O ATOM 1013 CB VAL B 616 10.967 1.777 3.939 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.076 1.664 5.157 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.580 3.164 3.860 1.00 0.00 C ATOM 0 H VAL B 616 10.577 -0.633 4.559 1.00 0.00 H new ATOM 0 HA VAL B 616 12.453 0.628 2.921 1.00 0.00 H new ATOM 0 HB VAL B 616 10.347 1.614 3.057 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.312 2.441 5.122 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.597 0.685 5.168 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.676 1.785 6.059 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.788 3.913 3.861 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.231 3.324 4.719 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.162 3.253 2.943 1.00 0.00 H new ATOM 1025 N GLU B 617 14.354 1.346 4.290 1.00 0.00 N ATOM 1026 CA GLU B 617 15.537 1.705 5.038 1.00 0.00 C ATOM 1027 C GLU B 617 15.822 3.191 4.919 1.00 0.00 C ATOM 1028 O GLU B 617 16.577 3.751 5.715 1.00 0.00 O ATOM 1029 CB GLU B 617 16.728 0.895 4.559 1.00 0.00 C ATOM 1030 CG GLU B 617 16.532 -0.596 4.721 1.00 0.00 C ATOM 1031 CD GLU B 617 17.839 -1.349 4.773 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.597 -1.298 3.787 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.119 -1.983 5.809 1.00 0.00 O ATOM 0 H GLU B 617 14.495 1.307 3.280 1.00 0.00 H new ATOM 0 HA GLU B 617 15.360 1.478 6.089 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.914 1.119 3.509 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.615 1.202 5.113 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.969 -0.788 5.635 1.00 0.00 H new ATOM 0 HG3 GLU B 617 15.932 -0.972 3.892 1.00 0.00 H new ATOM 1040 N ARG B 618 15.239 3.826 3.909 1.00 0.00 N ATOM 1041 CA ARG B 618 15.461 5.244 3.689 1.00 0.00 C ATOM 1042 C ARG B 618 14.318 5.847 2.886 1.00 0.00 C ATOM 1043 O ARG B 618 13.729 5.183 2.034 1.00 0.00 O ATOM 1044 CB ARG B 618 16.797 5.459 2.974 1.00 0.00 C ATOM 1045 CG ARG B 618 17.149 6.920 2.732 1.00 0.00 C ATOM 1046 CD ARG B 618 18.576 7.071 2.234 1.00 0.00 C ATOM 1047 NE ARG B 618 19.540 6.533 3.192 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.825 6.315 2.924 1.00 0.00 C ATOM 1049 NH1 ARG B 618 21.325 6.627 1.734 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.613 5.791 3.854 1.00 0.00 N ATOM 0 H ARG B 618 14.614 3.383 3.236 1.00 0.00 H new ATOM 0 HA ARG B 618 15.497 5.748 4.655 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.590 4.999 3.564 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.771 4.940 2.016 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.460 7.346 2.002 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.023 7.484 3.656 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.685 6.557 1.279 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.790 8.125 2.055 1.00 0.00 H new ATOM 0 HE ARG B 618 19.205 6.310 4.129 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.723 7.036 1.019 1.00 0.00 H new ATOM 0 HH12 ARG B 618 22.311 6.457 1.535 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.233 5.557 4.771 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.598 5.623 3.652 1.00 0.00 H new ATOM 1064 N ILE B 619 14.000 7.096 3.176 1.00 0.00 N ATOM 1065 CA ILE B 619 12.953 7.811 2.469 1.00 0.00 C ATOM 1066 C ILE B 619 13.468 9.164 2.016 1.00 0.00 C ATOM 1067 O ILE B 619 13.962 9.953 2.822 1.00 0.00 O ATOM 1068 CB ILE B 619 11.700 7.993 3.349 1.00 0.00 C ATOM 1069 CG1 ILE B 619 11.018 6.646 3.552 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.731 8.993 2.725 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.878 6.692 4.538 1.00 0.00 C ATOM 0 H ILE B 619 14.459 7.642 3.906 1.00 0.00 H new ATOM 0 HA ILE B 619 12.669 7.218 1.599 1.00 0.00 H new ATOM 0 HB ILE B 619 12.009 8.389 4.316 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.644 6.289 2.593 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.757 5.922 3.896 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.857 9.102 3.367 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.224 9.959 2.617 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.419 8.634 1.744 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.439 5.699 4.633 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.250 7.019 5.509 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.120 7.391 4.185 1.00 0.00 H new ATOM 1083 N GLU B 620 13.363 9.423 0.726 1.00 0.00 N ATOM 1084 CA GLU B 620 13.895 10.646 0.162 1.00 0.00 C ATOM 1085 C GLU B 620 12.805 11.412 -0.570 1.00 0.00 C ATOM 1086 O GLU B 620 11.952 10.821 -1.231 1.00 0.00 O ATOM 1087 CB GLU B 620 15.044 10.334 -0.794 1.00 0.00 C ATOM 1088 CG GLU B 620 16.073 9.371 -0.222 1.00 0.00 C ATOM 1089 CD GLU B 620 17.269 9.202 -1.131 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.962 10.204 -1.387 1.00 0.00 O ATOM 1091 OE2 GLU B 620 17.530 8.073 -1.592 1.00 0.00 O1- ATOM 0 H GLU B 620 12.915 8.803 0.051 1.00 0.00 H new ATOM 0 HA GLU B 620 14.272 11.264 0.977 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.636 9.912 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.542 11.265 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.407 9.735 0.750 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.606 8.400 -0.056 1.00 0.00 H new ATOM 1098 N ASP B 621 12.827 12.725 -0.435 1.00 0.00 N ATOM 1099 CA ASP B 621 11.872 13.576 -1.126 1.00 0.00 C ATOM 1100 C ASP B 621 12.342 13.831 -2.550 1.00 0.00 C ATOM 1101 O ASP B 621 13.522 14.080 -2.789 1.00 0.00 O ATOM 1102 CB ASP B 621 11.687 14.903 -0.381 1.00 0.00 C ATOM 1103 CG ASP B 621 12.977 15.687 -0.236 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.789 15.343 0.650 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 13.183 16.654 -0.997 1.00 0.00 O ATOM 0 H ASP B 621 13.497 13.228 0.148 1.00 0.00 H new ATOM 0 HA ASP B 621 10.909 13.066 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.956 15.512 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.277 14.703 0.609 1.00 0.00 H new ATOM 1110 N SER B 622 11.421 13.752 -3.493 1.00 0.00 N ATOM 1111 CA SER B 622 11.751 13.960 -4.891 1.00 0.00 C ATOM 1112 C SER B 622 11.281 15.342 -5.321 1.00 0.00 C ATOM 1113 O SER B 622 10.293 15.857 -4.795 1.00 0.00 O ATOM 1114 CB SER B 622 11.093 12.880 -5.754 1.00 0.00 C ATOM 1115 OG SER B 622 11.558 12.930 -7.093 1.00 0.00 O ATOM 0 H SER B 622 10.438 13.545 -3.316 1.00 0.00 H new ATOM 0 HA SER B 622 12.831 13.894 -5.022 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.303 11.897 -5.331 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.011 13.010 -5.738 1.00 0.00 H new ATOM 0 HG SER B 622 11.362 12.080 -7.539 1.00 0.00 H new ATOM 1121 N HIS B 623 11.994 15.953 -6.257 1.00 0.00 N ATOM 1122 CA HIS B 623 11.602 17.253 -6.783 1.00 0.00 C ATOM 1123 C HIS B 623 10.532 17.074 -7.845 1.00 0.00 C ATOM 1124 O HIS B 623 10.733 17.352 -9.027 1.00 0.00 O ATOM 1125 CB HIS B 623 12.800 18.006 -7.351 1.00 0.00 C ATOM 1126 CG HIS B 623 13.782 18.444 -6.305 1.00 0.00 C ATOM 1127 ND1 HIS B 623 15.093 18.024 -6.273 1.00 0.00 N ATOM 1128 CD2 HIS B 623 13.632 19.279 -5.248 1.00 0.00 C ATOM 1129 CE1 HIS B 623 15.706 18.578 -5.243 1.00 0.00 C ATOM 1130 NE2 HIS B 623 14.843 19.344 -4.606 1.00 0.00 N ATOM 0 H HIS B 623 12.846 15.570 -6.667 1.00 0.00 H new ATOM 0 HA HIS B 623 11.199 17.848 -5.964 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.310 17.369 -8.073 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.445 18.882 -7.894 1.00 0.00 H new ATOM 0 HD2 HIS B 623 12.728 19.797 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS B 623 16.740 18.429 -4.969 1.00 0.00 H new ATOM 0 HE2 HIS B 623 15.043 19.895 -3.772 1.00 0.00 H new ATOM 1139 N SER B 624 9.405 16.577 -7.389 1.00 0.00 N ATOM 1140 CA SER B 624 8.260 16.288 -8.226 1.00 0.00 C ATOM 1141 C SER B 624 7.005 16.368 -7.360 1.00 0.00 C ATOM 1142 O SER B 624 7.042 15.988 -6.187 1.00 0.00 O ATOM 1143 CB SER B 624 8.410 14.892 -8.844 1.00 0.00 C ATOM 1144 OG SER B 624 9.618 14.778 -9.581 1.00 0.00 O ATOM 0 H SER B 624 9.254 16.357 -6.404 1.00 0.00 H new ATOM 0 HA SER B 624 8.187 17.009 -9.040 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.391 14.140 -8.056 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.562 14.689 -9.499 1.00 0.00 H new ATOM 0 HG SER B 624 9.686 13.877 -9.961 1.00 0.00 H new ATOM 1150 N PRO B 625 5.900 16.899 -7.911 1.00 0.00 N ATOM 1151 CA PRO B 625 4.650 17.107 -7.168 1.00 0.00 C ATOM 1152 C PRO B 625 4.193 15.887 -6.388 1.00 0.00 C ATOM 1153 O PRO B 625 3.773 14.882 -6.963 1.00 0.00 O ATOM 1154 CB PRO B 625 3.639 17.436 -8.257 1.00 0.00 C ATOM 1155 CG PRO B 625 4.444 18.026 -9.361 1.00 0.00 C ATOM 1156 CD PRO B 625 5.790 17.354 -9.308 1.00 0.00 C ATOM 0 HA PRO B 625 4.772 17.884 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.110 16.542 -8.588 1.00 0.00 H new ATOM 0 HB3 PRO B 625 2.886 18.138 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO B 625 3.964 17.859 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.543 19.104 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO B 625 5.848 16.519 -10.006 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.592 18.044 -9.568 1.00 0.00 H new ATOM 1164 N GLY B 626 4.271 16.006 -5.074 1.00 0.00 N ATOM 1165 CA GLY B 626 3.809 14.962 -4.186 1.00 0.00 C ATOM 1166 C GLY B 626 4.573 13.665 -4.336 1.00 0.00 C ATOM 1167 O GLY B 626 4.010 12.599 -4.128 1.00 0.00 O ATOM 0 H GLY B 626 4.654 16.823 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY B 626 3.893 15.308 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY B 626 2.752 14.776 -4.374 1.00 0.00 H new ATOM 1171 N VAL B 627 5.848 13.741 -4.685 1.00 0.00 N ATOM 1172 CA VAL B 627 6.632 12.533 -4.900 1.00 0.00 C ATOM 1173 C VAL B 627 7.686 12.333 -3.819 1.00 0.00 C ATOM 1174 O VAL B 627 8.421 13.256 -3.459 1.00 0.00 O ATOM 1175 CB VAL B 627 7.320 12.532 -6.281 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.039 11.214 -6.531 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.300 12.792 -7.369 1.00 0.00 C ATOM 0 H VAL B 627 6.357 14.614 -4.824 1.00 0.00 H new ATOM 0 HA VAL B 627 5.922 11.707 -4.855 1.00 0.00 H new ATOM 0 HB VAL B 627 8.064 13.329 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.515 11.240 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL B 627 8.797 11.062 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.320 10.395 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL B 627 6.795 12.789 -8.340 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.539 12.012 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL B 627 5.831 13.762 -7.204 1.00 0.00 H new ATOM 1187 N ALA B 628 7.737 11.117 -3.305 1.00 0.00 N ATOM 1188 CA ALA B 628 8.773 10.695 -2.386 1.00 0.00 C ATOM 1189 C ALA B 628 9.199 9.285 -2.737 1.00 0.00 C ATOM 1190 O ALA B 628 8.364 8.408 -2.960 1.00 0.00 O ATOM 1191 CB ALA B 628 8.295 10.759 -0.944 1.00 0.00 C ATOM 0 H ALA B 628 7.053 10.390 -3.517 1.00 0.00 H new ATOM 0 HA ALA B 628 9.622 11.373 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.097 10.436 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.012 11.783 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.433 10.104 -0.817 1.00 0.00 H new ATOM 1197 N VAL B 629 10.492 9.072 -2.803 1.00 0.00 N ATOM 1198 CA VAL B 629 11.017 7.775 -3.158 1.00 0.00 C ATOM 1199 C VAL B 629 11.354 6.979 -1.913 1.00 0.00 C ATOM 1200 O VAL B 629 12.185 7.383 -1.091 1.00 0.00 O ATOM 1201 CB VAL B 629 12.236 7.884 -4.098 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.103 9.055 -3.704 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.047 6.599 -4.104 1.00 0.00 C ATOM 0 H VAL B 629 11.201 9.781 -2.615 1.00 0.00 H new ATOM 0 HA VAL B 629 10.240 7.243 -3.707 1.00 0.00 H new ATOM 0 HB VAL B 629 11.864 8.048 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL B 629 13.958 9.117 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.523 9.975 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.455 8.919 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL B 629 13.898 6.709 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.405 6.390 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.420 5.775 -4.444 1.00 0.00 H new ATOM 1213 N ILE B 630 10.672 5.863 -1.769 1.00 0.00 N ATOM 1214 CA ILE B 630 10.870 4.992 -0.641 1.00 0.00 C ATOM 1215 C ILE B 630 11.897 3.925 -1.000 1.00 0.00 C ATOM 1216 O ILE B 630 11.728 3.197 -1.980 1.00 0.00 O ATOM 1217 CB ILE B 630 9.555 4.316 -0.222 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.385 5.299 -0.289 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.688 3.771 1.185 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.475 6.420 0.716 1.00 0.00 C ATOM 0 H ILE B 630 9.967 5.539 -2.431 1.00 0.00 H new ATOM 0 HA ILE B 630 11.228 5.591 0.196 1.00 0.00 H new ATOM 0 HB ILE B 630 9.353 3.499 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.337 5.725 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.455 4.754 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.754 3.292 1.480 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.496 3.040 1.217 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.909 4.588 1.872 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.611 7.076 0.608 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.492 6.005 1.724 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.388 6.991 0.544 1.00 0.00 H new ATOM 1232 N GLN B 631 12.968 3.857 -0.230 1.00 0.00 N ATOM 1233 CA GLN B 631 14.026 2.894 -0.482 1.00 0.00 C ATOM 1234 C GLN B 631 13.853 1.676 0.410 1.00 0.00 C ATOM 1235 O GLN B 631 14.029 1.757 1.625 1.00 0.00 O ATOM 1236 CB GLN B 631 15.391 3.539 -0.246 1.00 0.00 C ATOM 1237 CG GLN B 631 16.557 2.619 -0.550 1.00 0.00 C ATOM 1238 CD GLN B 631 17.889 3.335 -0.484 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.344 3.915 -1.471 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.528 3.290 0.672 1.00 0.00 N ATOM 0 H GLN B 631 13.129 4.459 0.578 1.00 0.00 H new ATOM 0 HA GLN B 631 13.968 2.572 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.473 4.433 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.456 3.863 0.793 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.557 1.791 0.159 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.428 2.189 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.115 2.798 1.464 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.434 3.747 0.772 1.00 0.00 H new ATOM 1249 N PHE B 632 13.510 0.552 -0.203 1.00 0.00 N ATOM 1250 CA PHE B 632 13.239 -0.678 0.528 1.00 0.00 C ATOM 1251 C PHE B 632 14.372 -1.677 0.368 1.00 0.00 C ATOM 1252 O PHE B 632 14.973 -1.779 -0.694 1.00 0.00 O ATOM 1253 CB PHE B 632 11.954 -1.336 0.023 1.00 0.00 C ATOM 1254 CG PHE B 632 10.713 -0.501 0.140 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.038 -0.405 1.342 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.205 0.164 -0.963 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.880 0.340 1.446 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.044 0.906 -0.868 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.381 0.993 0.338 1.00 0.00 C ATOM 0 H PHE B 632 13.412 0.467 -1.215 1.00 0.00 H new ATOM 0 HA PHE B 632 13.136 -0.405 1.578 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.092 -1.606 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.800 -2.264 0.574 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.421 -0.919 2.211 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.723 0.102 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.366 0.411 2.393 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.656 1.417 -1.737 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.472 1.572 0.415 1.00 0.00 H new ATOM 1269 N ALA B 633 14.654 -2.403 1.432 1.00 0.00 N ATOM 1270 CA ALA B 633 15.554 -3.536 1.377 1.00 0.00 C ATOM 1271 C ALA B 633 14.743 -4.798 1.135 1.00 0.00 C ATOM 1272 O ALA B 633 14.121 -5.334 2.050 1.00 0.00 O ATOM 1273 CB ALA B 633 16.342 -3.644 2.669 1.00 0.00 C ATOM 0 H ALA B 633 14.266 -2.224 2.358 1.00 0.00 H new ATOM 0 HA ALA B 633 16.264 -3.403 0.561 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.015 -4.500 2.614 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.924 -2.734 2.818 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.655 -3.776 3.505 1.00 0.00 H new ATOM 1279 N VAL B 634 14.725 -5.247 -0.107 1.00 0.00 N ATOM 1280 CA VAL B 634 13.876 -6.359 -0.502 1.00 0.00 C ATOM 1281 C VAL B 634 14.531 -7.706 -0.217 1.00 0.00 C ATOM 1282 O VAL B 634 15.689 -7.937 -0.585 1.00 0.00 O ATOM 1283 CB VAL B 634 13.514 -6.267 -1.995 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.591 -7.407 -2.400 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.871 -4.922 -2.292 1.00 0.00 C ATOM 0 H VAL B 634 15.290 -4.858 -0.862 1.00 0.00 H new ATOM 0 HA VAL B 634 12.967 -6.290 0.095 1.00 0.00 H new ATOM 0 HB VAL B 634 14.429 -6.354 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.349 -7.321 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.088 -8.360 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.674 -7.358 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.618 -4.865 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.965 -4.812 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.568 -4.122 -2.042 1.00 0.00 H new ATOM 1295 N GLY B 635 13.780 -8.583 0.444 1.00 0.00 N ATOM 1296 CA GLY B 635 14.251 -9.925 0.725 1.00 0.00 C ATOM 1297 C GLY B 635 15.233 -9.964 1.875 1.00 0.00 C ATOM 1298 O GLY B 635 15.595 -8.924 2.426 1.00 0.00 O ATOM 0 H GLY B 635 12.843 -8.383 0.793 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.399 -10.565 0.957 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.724 -10.335 -0.167 1.00 0.00 H new ATOM 1302 N GLU B 636 15.679 -11.160 2.233 1.00 0.00 N ATOM 1303 CA GLU B 636 16.632 -11.314 3.317 1.00 0.00 C ATOM 1304 C GLU B 636 18.020 -10.865 2.888 1.00 0.00 C ATOM 1305 O GLU B 636 18.854 -10.517 3.722 1.00 0.00 O ATOM 1306 CB GLU B 636 16.678 -12.754 3.803 1.00 0.00 C ATOM 1307 CG GLU B 636 15.376 -13.233 4.406 1.00 0.00 C ATOM 1308 CD GLU B 636 15.584 -14.381 5.364 1.00 0.00 C ATOM 1309 OE1 GLU B 636 15.707 -15.534 4.904 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 15.640 -14.130 6.587 1.00 0.00 O ATOM 0 H GLU B 636 15.396 -12.034 1.789 1.00 0.00 H new ATOM 0 HA GLU B 636 16.300 -10.681 4.140 1.00 0.00 H new ATOM 0 HB2 GLU B 636 16.942 -13.402 2.967 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.470 -12.853 4.545 1.00 0.00 H new ATOM 0 HG2 GLU B 636 14.894 -12.407 4.929 1.00 0.00 H new ATOM 0 HG3 GLU B 636 14.700 -13.544 3.609 1.00 0.00 H new ATOM 1317 N HIS B 637 18.262 -10.860 1.581 1.00 0.00 N ATOM 1318 CA HIS B 637 19.507 -10.323 1.047 1.00 0.00 C ATOM 1319 C HIS B 637 19.450 -8.805 1.046 1.00 0.00 C ATOM 1320 O HIS B 637 20.443 -8.144 0.735 1.00 0.00 O ATOM 1321 CB HIS B 637 19.773 -10.832 -0.372 1.00 0.00 C ATOM 1322 CG HIS B 637 20.340 -12.217 -0.419 1.00 0.00 C ATOM 1323 ND1 HIS B 637 19.734 -13.255 -1.086 1.00 0.00 N ATOM 1324 CD2 HIS B 637 21.480 -12.722 0.104 1.00 0.00 C ATOM 1325 CE1 HIS B 637 20.475 -14.341 -0.968 1.00 0.00 C ATOM 1326 NE2 HIS B 637 21.542 -14.045 -0.250 1.00 0.00 N ATOM 0 H HIS B 637 17.617 -11.219 0.877 1.00 0.00 H new ATOM 0 HA HIS B 637 20.323 -10.662 1.685 1.00 0.00 H new ATOM 0 HB2 HIS B 637 18.841 -10.811 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS B 637 20.462 -10.150 -0.870 1.00 0.00 H new ATOM 0 HD2 HIS B 637 22.208 -12.183 0.692 1.00 0.00 H new ATOM 0 HE1 HIS B 637 20.246 -15.309 -1.388 1.00 0.00 H new ATOM 0 HE2 HIS B 637 22.289 -14.693 0.000 1.00 0.00 H new ATOM 1335 N ARG B 638 18.281 -8.276 1.411 1.00 0.00 N ATOM 1336 CA ARG B 638 18.100 -6.856 1.683 1.00 0.00 C ATOM 1337 C ARG B 638 18.677 -5.998 0.569 1.00 0.00 C ATOM 1338 O ARG B 638 19.655 -5.273 0.769 1.00 0.00 O ATOM 1339 CB ARG B 638 18.740 -6.500 3.029 1.00 0.00 C ATOM 1340 CG ARG B 638 18.101 -7.221 4.207 1.00 0.00 C ATOM 1341 CD ARG B 638 18.816 -6.919 5.512 1.00 0.00 C ATOM 1342 NE ARG B 638 18.195 -7.600 6.649 1.00 0.00 N ATOM 1343 CZ ARG B 638 18.604 -7.475 7.910 1.00 0.00 C ATOM 1344 NH1 ARG B 638 19.660 -6.721 8.201 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 17.960 -8.111 8.880 1.00 0.00 N ATOM 0 H ARG B 638 17.430 -8.827 1.526 1.00 0.00 H new ATOM 0 HA ARG B 638 17.031 -6.650 1.731 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.802 -6.744 2.995 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.665 -5.424 3.186 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.055 -6.925 4.289 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.115 -8.296 4.026 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.859 -7.224 5.433 1.00 0.00 H new ATOM 0 HD3 ARG B 638 18.811 -5.843 5.687 1.00 0.00 H new ATOM 0 HE ARG B 638 17.398 -8.209 6.464 1.00 0.00 H new ATOM 0 HH11 ARG B 638 20.161 -6.235 7.457 1.00 0.00 H new ATOM 0 HH12 ARG B 638 19.969 -6.628 9.169 1.00 0.00 H new ATOM 0 HH21 ARG B 638 17.153 -8.695 8.659 1.00 0.00 H new ATOM 0 HH22 ARG B 638 18.272 -8.016 9.847 1.00 0.00 H new ATOM 1359 N ALA B 639 18.078 -6.107 -0.606 1.00 0.00 N ATOM 1360 CA ALA B 639 18.506 -5.328 -1.754 1.00 0.00 C ATOM 1361 C ALA B 639 17.731 -4.027 -1.825 1.00 0.00 C ATOM 1362 O ALA B 639 16.508 -4.030 -1.976 1.00 0.00 O ATOM 1363 CB ALA B 639 18.325 -6.117 -3.036 1.00 0.00 C ATOM 0 H ALA B 639 17.291 -6.730 -0.789 1.00 0.00 H new ATOM 0 HA ALA B 639 19.566 -5.100 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.652 -5.514 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.920 -7.029 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA B 639 17.273 -6.375 -3.159 1.00 0.00 H new ATOM 1369 N GLN B 640 18.446 -2.927 -1.684 1.00 0.00 N ATOM 1370 CA GLN B 640 17.854 -1.614 -1.682 1.00 0.00 C ATOM 1371 C GLN B 640 17.286 -1.226 -3.032 1.00 0.00 C ATOM 1372 O GLN B 640 18.008 -1.080 -4.020 1.00 0.00 O ATOM 1373 CB GLN B 640 18.879 -0.612 -1.231 1.00 0.00 C ATOM 1374 CG GLN B 640 19.193 -0.764 0.235 1.00 0.00 C ATOM 1375 CD GLN B 640 19.938 -2.035 0.583 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.719 -2.554 -0.219 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.706 -2.552 1.777 1.00 0.00 N ATOM 0 H GLN B 640 19.459 -2.925 -1.567 1.00 0.00 H new ATOM 0 HA GLN B 640 17.013 -1.627 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.791 -0.736 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.512 0.396 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN B 640 19.786 0.091 0.558 1.00 0.00 H new ATOM 0 HG3 GLN B 640 18.261 -0.737 0.799 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.053 -2.094 2.413 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.180 -3.409 2.063 1.00 0.00 H new ATOM 1386 N VAL B 641 15.981 -1.070 -3.050 1.00 0.00 N ATOM 1387 CA VAL B 641 15.261 -0.619 -4.226 1.00 0.00 C ATOM 1388 C VAL B 641 14.517 0.666 -3.897 1.00 0.00 C ATOM 1389 O VAL B 641 13.695 0.697 -2.981 1.00 0.00 O ATOM 1390 CB VAL B 641 14.257 -1.680 -4.728 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.492 -1.165 -5.935 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.968 -2.978 -5.070 1.00 0.00 C ATOM 0 H VAL B 641 15.383 -1.253 -2.244 1.00 0.00 H new ATOM 0 HA VAL B 641 15.988 -0.446 -5.020 1.00 0.00 H new ATOM 0 HB VAL B 641 13.547 -1.878 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.790 -1.927 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.944 -0.263 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.192 -0.934 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL B 641 14.240 -3.710 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.704 -2.794 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.470 -3.363 -4.182 1.00 0.00 H new ATOM 1402 N SER B 642 14.824 1.722 -4.622 1.00 0.00 N ATOM 1403 CA SER B 642 14.220 3.017 -4.371 1.00 0.00 C ATOM 1404 C SER B 642 13.155 3.334 -5.418 1.00 0.00 C ATOM 1405 O SER B 642 13.449 3.435 -6.611 1.00 0.00 O ATOM 1406 CB SER B 642 15.311 4.090 -4.340 1.00 0.00 C ATOM 1407 OG SER B 642 16.196 3.949 -5.438 1.00 0.00 O ATOM 0 H SER B 642 15.491 1.710 -5.393 1.00 0.00 H new ATOM 0 HA SER B 642 13.721 2.998 -3.402 1.00 0.00 H new ATOM 0 HB2 SER B 642 14.853 5.079 -4.362 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.870 4.018 -3.407 1.00 0.00 H new ATOM 0 HG SER B 642 15.684 3.729 -6.244 1.00 0.00 H new ATOM 1413 N VAL B 643 11.915 3.479 -4.968 1.00 0.00 N ATOM 1414 CA VAL B 643 10.800 3.724 -5.861 1.00 0.00 C ATOM 1415 C VAL B 643 10.152 5.087 -5.583 1.00 0.00 C ATOM 1416 O VAL B 643 9.738 5.373 -4.459 1.00 0.00 O ATOM 1417 CB VAL B 643 9.758 2.589 -5.729 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.299 2.415 -4.287 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.576 2.837 -6.640 1.00 0.00 C ATOM 0 H VAL B 643 11.660 3.430 -3.982 1.00 0.00 H new ATOM 0 HA VAL B 643 11.178 3.741 -6.883 1.00 0.00 H new ATOM 0 HB VAL B 643 10.242 1.662 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL B 643 8.567 1.609 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.156 2.170 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL B 643 8.845 3.341 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL B 643 7.856 2.026 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.102 3.782 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL B 643 8.917 2.882 -7.674 1.00 0.00 H new ATOM 1429 N GLU B 644 10.091 5.934 -6.609 1.00 0.00 N ATOM 1430 CA GLU B 644 9.457 7.245 -6.490 1.00 0.00 C ATOM 1431 C GLU B 644 7.938 7.111 -6.554 1.00 0.00 C ATOM 1432 O GLU B 644 7.368 6.933 -7.632 1.00 0.00 O ATOM 1433 CB GLU B 644 9.926 8.177 -7.611 1.00 0.00 C ATOM 1434 CG GLU B 644 11.381 8.596 -7.507 1.00 0.00 C ATOM 1435 CD GLU B 644 11.813 9.471 -8.664 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.110 8.923 -9.746 1.00 0.00 O ATOM 1437 OE2 GLU B 644 11.869 10.709 -8.490 1.00 0.00 O1- ATOM 0 H GLU B 644 10.474 5.735 -7.533 1.00 0.00 H new ATOM 0 HA GLU B 644 9.744 7.669 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU B 644 9.771 7.681 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.302 9.071 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.536 9.133 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.011 7.707 -7.472 1.00 0.00 H new ATOM 1444 N VAL B 645 7.286 7.197 -5.410 1.00 0.00 N ATOM 1445 CA VAL B 645 5.849 7.090 -5.337 1.00 0.00 C ATOM 1446 C VAL B 645 5.254 8.436 -4.951 1.00 0.00 C ATOM 1447 O VAL B 645 5.958 9.307 -4.439 1.00 0.00 O ATOM 1448 CB VAL B 645 5.452 6.044 -4.281 1.00 0.00 C ATOM 1449 CG1 VAL B 645 3.954 5.903 -4.211 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.108 4.704 -4.569 1.00 0.00 C ATOM 0 H VAL B 645 7.741 7.343 -4.509 1.00 0.00 H new ATOM 0 HA VAL B 645 5.469 6.784 -6.312 1.00 0.00 H new ATOM 0 HB VAL B 645 5.808 6.390 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL B 645 3.693 5.159 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL B 645 3.510 6.862 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.573 5.586 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.811 3.982 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.792 4.348 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.192 4.819 -4.556 1.00 0.00 H new ATOM 1460 N LEU B 646 3.969 8.615 -5.202 1.00 0.00 N ATOM 1461 CA LEU B 646 3.290 9.801 -4.729 1.00 0.00 C ATOM 1462 C LEU B 646 2.958 9.643 -3.256 1.00 0.00 C ATOM 1463 O LEU B 646 2.539 8.575 -2.812 1.00 0.00 O ATOM 1464 CB LEU B 646 2.007 10.103 -5.505 1.00 0.00 C ATOM 1465 CG LEU B 646 2.191 10.451 -6.979 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.036 11.306 -7.475 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.504 11.163 -7.205 1.00 0.00 C ATOM 0 H LEU B 646 3.384 7.962 -5.724 1.00 0.00 H new ATOM 0 HA LEU B 646 3.968 10.640 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.349 9.237 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.495 10.932 -5.016 1.00 0.00 H new ATOM 0 HG LEU B 646 2.204 9.520 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.185 11.544 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.101 10.759 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU B 646 0.992 12.229 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.612 11.400 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.523 12.084 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.326 10.519 -6.892 1.00 0.00 H new ATOM 1479 N VAL B 647 3.141 10.715 -2.511 1.00 0.00 N ATOM 1480 CA VAL B 647 2.946 10.702 -1.068 1.00 0.00 C ATOM 1481 C VAL B 647 1.474 10.554 -0.708 1.00 0.00 C ATOM 1482 O VAL B 647 1.135 10.123 0.389 1.00 0.00 O ATOM 1483 CB VAL B 647 3.497 11.980 -0.411 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.000 12.081 -0.608 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.797 13.209 -0.965 1.00 0.00 C ATOM 0 H VAL B 647 3.428 11.620 -2.884 1.00 0.00 H new ATOM 0 HA VAL B 647 3.497 9.841 -0.688 1.00 0.00 H new ATOM 0 HB VAL B 647 3.299 11.928 0.660 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.368 12.992 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.485 11.216 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.226 12.108 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.200 14.103 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.960 13.266 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.728 13.141 -0.763 1.00 0.00 H new ATOM 1495 N GLU B 648 0.603 10.917 -1.641 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.831 10.819 -1.426 1.00 0.00 C ATOM 1497 C GLU B 648 -1.303 9.385 -1.646 1.00 0.00 C ATOM 1498 O GLU B 648 -2.445 9.038 -1.339 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.573 11.800 -2.341 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.240 11.647 -3.817 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.717 12.824 -4.644 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -0.981 13.830 -4.727 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.825 12.754 -5.215 1.00 0.00 O1- ATOM 0 H GLU B 648 0.868 11.283 -2.556 1.00 0.00 H new ATOM 0 HA GLU B 648 -1.055 11.089 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.646 11.665 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.338 12.818 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.162 11.538 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.695 10.732 -4.196 1.00 0.00 H new ATOM 1510 N TYR B 649 -0.406 8.554 -2.163 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.683 7.146 -2.352 1.00 0.00 C ATOM 1512 C TYR B 649 -0.330 6.366 -1.095 1.00 0.00 C ATOM 1513 O TYR B 649 0.764 6.517 -0.545 1.00 0.00 O ATOM 1514 CB TYR B 649 0.100 6.606 -3.546 1.00 0.00 C ATOM 1515 CG TYR B 649 -0.613 6.790 -4.865 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -0.823 8.054 -5.399 1.00 0.00 C ATOM 1517 CD2 TYR B 649 -1.085 5.693 -5.574 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -1.480 8.221 -6.602 1.00 0.00 C ATOM 1519 CE2 TYR B 649 -1.743 5.851 -6.778 1.00 0.00 C ATOM 1520 CZ TYR B 649 -1.937 7.115 -7.286 1.00 0.00 C ATOM 1521 OH TYR B 649 -2.589 7.277 -8.486 1.00 0.00 O ATOM 0 H TYR B 649 0.527 8.840 -2.460 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.748 7.025 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.068 7.105 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR B 649 0.296 5.545 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -0.466 8.922 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR B 649 -0.935 4.700 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -1.635 9.211 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR B 649 -2.103 4.988 -7.318 1.00 0.00 H new ATOM 0 HH TYR B 649 -2.846 6.400 -8.840 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.255 5.523 -0.624 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.069 4.765 0.598 1.00 0.00 C ATOM 1533 C PRO B 650 -0.260 3.488 0.389 1.00 0.00 C ATOM 1534 O PRO B 650 -0.116 2.999 -0.731 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.499 4.445 1.029 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.322 4.467 -0.214 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.552 5.234 -1.255 1.00 0.00 C ATOM 0 HA PRO B 650 -0.500 5.323 1.341 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.551 3.470 1.513 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.862 5.178 1.749 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -3.524 3.453 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.287 4.938 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.427 4.649 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -3.070 6.152 -1.534 1.00 0.00 H new ATOM 1545 N PHE B 651 0.264 2.962 1.484 1.00 0.00 N ATOM 1546 CA PHE B 651 1.060 1.747 1.470 1.00 0.00 C ATOM 1547 C PHE B 651 0.630 0.821 2.595 1.00 0.00 C ATOM 1548 O PHE B 651 0.763 1.152 3.775 1.00 0.00 O ATOM 1549 CB PHE B 651 2.552 2.060 1.630 1.00 0.00 C ATOM 1550 CG PHE B 651 3.316 2.114 0.341 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.761 0.946 -0.260 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.606 3.326 -0.263 1.00 0.00 C ATOM 1553 CE1 PHE B 651 4.477 0.986 -1.440 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.323 3.372 -1.442 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.760 2.200 -2.031 1.00 0.00 C ATOM 0 H PHE B 651 0.148 3.369 2.412 1.00 0.00 H new ATOM 0 HA PHE B 651 0.900 1.261 0.507 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.657 3.017 2.141 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.002 1.304 2.274 1.00 0.00 H new ATOM 0 HD1 PHE B 651 3.545 -0.007 0.201 1.00 0.00 H new ATOM 0 HD2 PHE B 651 3.268 4.245 0.193 1.00 0.00 H new ATOM 0 HE1 PHE B 651 4.815 0.069 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE B 651 4.542 4.323 -1.904 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.322 2.235 -2.953 1.00 0.00 H new ATOM 1565 N PHE B 652 0.093 -0.328 2.233 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.162 -1.364 3.209 1.00 0.00 C ATOM 1567 C PHE B 652 1.173 -1.876 3.722 1.00 0.00 C ATOM 1568 O PHE B 652 2.090 -2.101 2.939 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.979 -2.499 2.595 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.319 -2.665 3.237 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.426 -3.222 4.498 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.471 -2.252 2.591 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.654 -3.370 5.102 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.705 -2.394 3.191 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.796 -2.955 4.450 1.00 0.00 C ATOM 0 H PHE B 652 -0.173 -0.565 1.277 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.744 -0.957 4.036 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.113 -2.309 1.530 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.421 -3.431 2.684 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.535 -3.545 5.016 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.403 -1.814 1.606 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.723 -3.811 6.086 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.597 -2.067 2.678 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.760 -3.068 4.923 1.00 0.00 H new ATOM 1585 N VAL B 653 1.310 -2.022 5.028 1.00 0.00 N ATOM 1586 CA VAL B 653 2.593 -2.395 5.590 1.00 0.00 C ATOM 1587 C VAL B 653 2.518 -3.775 6.263 1.00 0.00 C ATOM 1588 O VAL B 653 1.630 -4.035 7.071 1.00 0.00 O ATOM 1589 CB VAL B 653 3.101 -1.324 6.582 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.584 -1.475 6.823 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.831 0.076 6.071 1.00 0.00 C ATOM 0 H VAL B 653 0.562 -1.890 5.708 1.00 0.00 H new ATOM 0 HA VAL B 653 3.310 -2.457 4.771 1.00 0.00 H new ATOM 0 HB VAL B 653 2.559 -1.474 7.516 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.918 -0.710 7.524 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.786 -2.462 7.239 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.119 -1.362 5.880 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.201 0.804 6.793 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.339 0.220 5.118 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.758 0.213 5.934 1.00 0.00 H new ATOM 1601 N PHE B 654 3.492 -4.625 5.917 1.00 0.00 N ATOM 1602 CA PHE B 654 3.529 -6.067 6.238 1.00 0.00 C ATOM 1603 C PHE B 654 3.452 -6.378 7.735 1.00 0.00 C ATOM 1604 O PHE B 654 4.472 -6.607 8.383 1.00 0.00 O ATOM 1605 CB PHE B 654 4.822 -6.662 5.650 1.00 0.00 C ATOM 1606 CG PHE B 654 4.912 -8.160 5.763 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.014 -8.969 5.088 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.890 -8.758 6.544 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.087 -10.346 5.188 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.968 -10.133 6.648 1.00 0.00 C ATOM 1611 CZ PHE B 654 5.066 -10.929 5.968 1.00 0.00 C ATOM 0 H PHE B 654 4.309 -4.322 5.386 1.00 0.00 H new ATOM 0 HA PHE B 654 2.639 -6.517 5.797 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.894 -6.382 4.599 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.678 -6.217 6.157 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.247 -8.519 4.476 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.599 -8.141 7.077 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.379 -10.965 4.657 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.734 -10.586 7.260 1.00 0.00 H new ATOM 0 HZ PHE B 654 5.127 -12.004 6.046 1.00 0.00 H new ATOM 1621 N GLY B 655 2.248 -6.411 8.278 1.00 0.00 N ATOM 1622 CA GLY B 655 2.088 -6.679 9.694 1.00 0.00 C ATOM 1623 C GLY B 655 2.118 -5.405 10.511 1.00 0.00 C ATOM 1624 O GLY B 655 1.808 -5.409 11.701 1.00 0.00 O ATOM 0 H GLY B 655 1.378 -6.258 7.767 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.144 -7.197 9.862 1.00 0.00 H new ATOM 0 HA3 GLY B 655 2.882 -7.346 10.030 1.00 0.00 H new ATOM 1628 N GLN B 656 2.497 -4.310 9.866 1.00 0.00 N ATOM 1629 CA GLN B 656 2.583 -3.026 10.517 1.00 0.00 C ATOM 1630 C GLN B 656 1.227 -2.322 10.487 1.00 0.00 C ATOM 1631 O GLN B 656 0.846 -1.654 11.448 1.00 0.00 O ATOM 1632 CB GLN B 656 3.662 -2.173 9.847 1.00 0.00 C ATOM 1633 CG GLN B 656 5.088 -2.596 10.169 1.00 0.00 C ATOM 1634 CD GLN B 656 5.515 -3.844 9.430 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.007 -3.981 8.220 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.291 -4.651 9.932 1.00 0.00 N flip ATOM 0 H GLN B 656 2.751 -4.295 8.878 1.00 0.00 H new ATOM 0 HA GLN B 656 2.861 -3.173 11.561 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.520 -2.211 8.767 1.00 0.00 H new ATOM 0 HB3 GLN B 656 3.527 -1.135 10.150 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.768 -1.782 9.919 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.177 -2.767 11.242 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.653 -4.494 10.873 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.575 -5.479 9.409 1.00 0.00 H new ATOM 1645 N GLY B 657 0.495 -2.477 9.385 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.860 -1.960 9.332 1.00 0.00 C ATOM 1647 C GLY B 657 -1.188 -1.213 8.054 1.00 0.00 C ATOM 1648 O GLY B 657 -0.568 -1.435 7.011 1.00 0.00 O ATOM 0 H GLY B 657 0.813 -2.946 8.537 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.558 -2.789 9.445 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -1.017 -1.293 10.180 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.170 -0.325 8.151 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.676 0.423 7.007 1.00 0.00 C ATOM 1654 C TRP B 658 -2.087 1.835 7.024 1.00 0.00 C ATOM 1655 O TRP B 658 -2.529 2.700 7.788 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.214 0.450 7.072 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.934 0.873 5.815 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.269 1.142 5.727 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.405 1.059 4.484 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.607 1.476 4.443 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.487 1.435 3.663 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.135 0.947 3.897 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.341 1.698 2.306 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.999 1.210 2.548 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.094 1.580 1.768 1.00 0.00 C ATOM 0 H TRP B 658 -2.639 -0.103 9.029 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.379 -0.053 6.073 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.561 -0.546 7.345 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.510 1.123 7.877 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.962 1.098 6.554 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.544 1.717 4.121 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.279 0.660 4.490 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.186 1.986 1.699 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.025 1.127 2.088 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.951 1.777 0.716 1.00 0.00 H new ATOM 1676 N SER B 659 -1.079 2.064 6.190 1.00 0.00 N ATOM 1677 CA SER B 659 -0.313 3.297 6.245 1.00 0.00 C ATOM 1678 C SER B 659 -0.275 4.005 4.893 1.00 0.00 C ATOM 1679 O SER B 659 -0.712 3.469 3.882 1.00 0.00 O ATOM 1680 CB SER B 659 1.108 2.992 6.723 1.00 0.00 C ATOM 1681 OG SER B 659 1.092 2.376 8.000 1.00 0.00 O ATOM 0 H SER B 659 -0.775 1.410 5.469 1.00 0.00 H new ATOM 0 HA SER B 659 -0.804 3.970 6.948 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.605 2.338 6.006 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.687 3.915 6.767 1.00 0.00 H new ATOM 0 HG SER B 659 2.011 2.189 8.284 1.00 0.00 H new ATOM 1687 N SER B 660 0.205 5.238 4.907 1.00 0.00 N ATOM 1688 CA SER B 660 0.435 6.008 3.700 1.00 0.00 C ATOM 1689 C SER B 660 1.646 6.899 3.897 1.00 0.00 C ATOM 1690 O SER B 660 1.955 7.294 5.024 1.00 0.00 O ATOM 1691 CB SER B 660 -0.785 6.868 3.365 1.00 0.00 C ATOM 1692 OG SER B 660 -0.523 7.708 2.258 1.00 0.00 O ATOM 0 H SER B 660 0.447 5.735 5.764 1.00 0.00 H new ATOM 0 HA SER B 660 0.610 5.320 2.873 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.638 6.226 3.145 1.00 0.00 H new ATOM 0 HB3 SER B 660 -1.056 7.474 4.230 1.00 0.00 H new ATOM 0 HG SER B 660 -1.368 8.055 1.903 1.00 0.00 H new ATOM 1698 N CYS B 661 2.328 7.208 2.800 1.00 0.00 N ATOM 1699 CA CYS B 661 3.486 8.089 2.832 1.00 0.00 C ATOM 1700 C CYS B 661 3.085 9.464 3.351 1.00 0.00 C ATOM 1701 O CYS B 661 3.910 10.224 3.862 1.00 0.00 O ATOM 1702 CB CYS B 661 4.082 8.211 1.431 1.00 0.00 C ATOM 1703 SG CYS B 661 4.530 6.628 0.682 1.00 0.00 S ATOM 0 H CYS B 661 2.095 6.857 1.871 1.00 0.00 H new ATOM 0 HA CYS B 661 4.235 7.667 3.502 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.364 8.717 0.785 1.00 0.00 H new ATOM 0 HB3 CYS B 661 4.969 8.843 1.478 1.00 0.00 H new ATOM 0 HG CYS B 661 5.024 6.833 -0.503 1.00 0.00 H new ATOM 1709 N CYS B 662 1.803 9.771 3.236 1.00 0.00 N ATOM 1710 CA CYS B 662 1.272 11.024 3.718 1.00 0.00 C ATOM 1711 C CYS B 662 -0.202 10.860 4.032 1.00 0.00 C ATOM 1712 O CYS B 662 -1.065 11.154 3.202 1.00 0.00 O ATOM 1713 CB CYS B 662 1.483 12.144 2.695 1.00 0.00 C ATOM 1714 SG CYS B 662 0.907 13.767 3.245 1.00 0.00 S ATOM 0 H CYS B 662 1.109 9.159 2.807 1.00 0.00 H new ATOM 0 HA CYS B 662 1.806 11.304 4.626 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.545 12.209 2.458 1.00 0.00 H new ATOM 0 HB3 CYS B 662 0.966 11.881 1.772 1.00 0.00 H new ATOM 0 HG CYS B 662 1.193 13.925 4.503 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.510 10.374 5.244 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.892 10.184 5.690 1.00 0.00 C ATOM 1722 C PRO B 663 -2.661 11.487 5.649 1.00 0.00 C ATOM 1723 O PRO B 663 -3.883 11.499 5.510 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.743 9.704 7.131 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.368 9.141 7.203 1.00 0.00 C ATOM 1726 CD PRO B 663 0.459 9.987 6.284 1.00 0.00 C ATOM 0 HA PRO B 663 -2.442 9.487 5.058 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.872 10.525 7.837 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.492 8.951 7.377 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.018 9.176 8.222 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.355 8.096 6.893 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.873 10.856 6.796 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.300 9.431 5.868 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.916 12.575 5.779 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.453 13.912 5.635 1.00 0.00 C ATOM 1736 C GLU B 664 -3.205 14.010 4.321 1.00 0.00 C ATOM 1737 O GLU B 664 -4.428 14.078 4.296 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.329 14.959 5.639 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.435 14.948 6.871 1.00 0.00 C ATOM 1740 CD GLU B 664 0.418 13.700 6.987 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.383 13.554 6.208 1.00 0.00 O1- ATOM 1742 OE2 GLU B 664 0.112 12.846 7.841 1.00 0.00 O ATOM 0 H GLU B 664 -0.918 12.551 5.988 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.120 14.107 6.475 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.707 14.804 4.757 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.776 15.948 5.543 1.00 0.00 H new ATOM 0 HG2 GLU B 664 0.215 15.822 6.846 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -1.056 15.038 7.762 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.448 13.963 3.235 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.994 14.132 1.892 1.00 0.00 C ATOM 1751 C ARG B 665 -3.976 13.016 1.526 1.00 0.00 C ATOM 1752 O ARG B 665 -5.011 13.280 0.916 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.857 14.188 0.873 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.941 15.379 -0.062 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.618 15.617 -0.769 1.00 0.00 C ATOM 1756 NE ARG B 665 0.452 15.921 0.181 1.00 0.00 N ATOM 1757 CZ ARG B 665 1.659 16.361 -0.165 1.00 0.00 C ATOM 1758 NH1 ARG B 665 1.955 16.570 -1.441 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 2.572 16.597 0.770 1.00 0.00 N ATOM 0 H ARG B 665 -1.440 13.807 3.257 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.548 15.071 1.876 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.905 14.219 1.404 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.863 13.272 0.283 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.725 15.211 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.220 16.269 0.502 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.351 14.734 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.725 16.441 -1.474 1.00 0.00 H new ATOM 0 HE ARG B 665 0.260 15.787 1.174 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.256 16.393 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG B 665 2.882 16.907 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG B 665 2.348 16.441 1.753 1.00 0.00 H new ATOM 0 HH22 ARG B 665 3.498 16.934 0.505 1.00 0.00 H new ATOM 1773 N THR B 666 -3.664 11.776 1.898 1.00 0.00 N ATOM 1774 CA THR B 666 -4.547 10.654 1.593 1.00 0.00 C ATOM 1775 C THR B 666 -5.923 10.852 2.243 1.00 0.00 C ATOM 1776 O THR B 666 -6.957 10.620 1.617 1.00 0.00 O ATOM 1777 CB THR B 666 -3.927 9.310 2.041 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.595 9.205 1.524 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.746 8.117 1.549 1.00 0.00 C ATOM 0 H THR B 666 -2.816 11.525 2.406 1.00 0.00 H new ATOM 0 HA THR B 666 -4.675 10.621 0.511 1.00 0.00 H new ATOM 0 HB THR B 666 -3.919 9.293 3.131 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.628 9.135 0.547 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.278 7.191 1.884 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.757 8.179 1.952 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.788 8.129 0.460 1.00 0.00 H new ATOM 1787 N SER B 667 -5.938 11.322 3.484 1.00 0.00 N ATOM 1788 CA SER B 667 -7.194 11.590 4.170 1.00 0.00 C ATOM 1789 C SER B 667 -7.784 12.933 3.718 1.00 0.00 C ATOM 1790 O SER B 667 -8.994 13.127 3.742 1.00 0.00 O ATOM 1791 CB SER B 667 -6.991 11.565 5.683 1.00 0.00 C ATOM 1792 OG SER B 667 -8.224 11.651 6.378 1.00 0.00 O ATOM 0 H SER B 667 -5.102 11.524 4.032 1.00 0.00 H new ATOM 0 HA SER B 667 -7.904 10.806 3.908 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.477 10.647 5.966 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.348 12.394 5.978 1.00 0.00 H new ATOM 0 HG SER B 667 -8.057 11.631 7.344 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.918 13.858 3.320 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.339 15.150 2.789 1.00 0.00 C ATOM 1800 C GLN B 668 -8.171 15.008 1.525 1.00 0.00 C ATOM 1801 O GLN B 668 -9.279 15.536 1.426 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.103 15.977 2.447 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.551 16.774 3.602 1.00 0.00 C ATOM 1804 CD GLN B 668 -4.236 17.451 3.269 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -3.978 17.804 2.119 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -3.397 17.638 4.274 1.00 0.00 N ATOM 0 H GLN B 668 -5.906 13.734 3.356 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.948 15.633 3.553 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.325 15.310 2.076 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.351 16.660 1.635 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.279 17.529 3.898 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.409 16.115 4.458 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -3.649 17.330 5.213 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -2.497 18.090 4.110 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.632 14.277 0.569 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.174 14.268 -0.778 1.00 0.00 C ATOM 1817 C LEU B 669 -9.091 13.079 -1.002 1.00 0.00 C ATOM 1818 O LEU B 669 -10.073 13.162 -1.738 1.00 0.00 O ATOM 1819 CB LEU B 669 -7.022 14.229 -1.778 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.834 15.135 -1.433 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.759 15.037 -2.502 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.277 16.581 -1.235 1.00 0.00 C ATOM 0 H LEU B 669 -6.816 13.679 0.700 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.765 15.173 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.665 13.202 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.403 14.512 -2.759 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.412 14.789 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.924 15.687 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.409 14.007 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.172 15.346 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.411 17.197 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.738 16.949 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.999 16.632 -0.420 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.761 11.970 -0.367 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.498 10.734 -0.561 1.00 0.00 C ATOM 1836 C PHE B 670 -10.320 10.398 0.677 1.00 0.00 C ATOM 1837 O PHE B 670 -11.012 9.376 0.717 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.517 9.603 -0.883 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.524 9.977 -1.947 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.946 10.355 -3.209 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.165 9.953 -1.679 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.032 10.704 -4.185 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.246 10.298 -2.650 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.680 10.675 -3.905 1.00 0.00 C ATOM 0 H PHE B 670 -7.984 11.899 0.290 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.188 10.856 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.982 9.323 0.024 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.076 8.725 -1.207 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.002 10.378 -3.434 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.820 9.661 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.375 10.999 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.189 10.273 -2.428 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.964 10.947 -4.666 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.226 11.276 1.685 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.918 11.098 2.970 1.00 0.00 C ATOM 1856 C ASP B 671 -10.527 9.787 3.636 1.00 0.00 C ATOM 1857 O ASP B 671 -11.206 9.312 4.542 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.439 11.166 2.794 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.994 12.571 2.948 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.459 13.511 2.324 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.972 12.745 3.706 1.00 0.00 O ATOM 0 H ASP B 671 -9.669 12.129 1.633 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.607 11.917 3.618 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.702 10.784 1.808 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.913 10.512 3.526 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.413 9.221 3.211 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.020 7.902 3.663 1.00 0.00 C ATOM 1868 C LEU B 672 -7.932 8.000 4.728 1.00 0.00 C ATOM 1869 O LEU B 672 -6.839 8.498 4.464 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.542 7.061 2.474 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.140 5.629 2.824 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.369 4.812 3.190 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.384 4.987 1.670 1.00 0.00 C ATOM 0 H LEU B 672 -8.765 9.655 2.553 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.885 7.413 4.110 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.335 7.029 1.727 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.690 7.560 2.013 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.475 5.655 3.688 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -9.069 3.794 3.437 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.863 5.264 4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -10.058 4.792 2.345 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.107 3.968 1.939 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.019 4.968 0.784 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.484 5.564 1.459 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.221 7.528 5.950 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.279 7.606 7.058 1.00 0.00 C ATOM 1887 C PRO B 673 -6.145 6.599 6.911 1.00 0.00 C ATOM 1888 O PRO B 673 -6.347 5.465 6.467 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.132 7.298 8.287 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.276 6.490 7.781 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.475 6.860 6.333 1.00 0.00 C ATOM 0 HA PRO B 673 -6.790 8.578 7.114 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.561 6.746 9.034 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.479 8.214 8.764 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.069 5.425 7.881 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.178 6.695 8.358 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.659 5.978 5.719 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.332 7.521 6.206 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.954 7.030 7.276 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.756 6.218 7.125 1.00 0.00 C ATOM 1901 C CYS B 674 -2.794 6.459 8.276 1.00 0.00 C ATOM 1902 O CYS B 674 -2.813 7.514 8.910 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.082 6.549 5.787 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.916 5.831 4.353 1.00 0.00 S ATOM 0 H CYS B 674 -4.786 7.949 7.685 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.037 5.165 7.137 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -3.043 7.632 5.668 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.052 6.194 5.812 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.106 5.436 4.696 1.00 0.00 H new ATOM 1910 N SER B 675 -1.982 5.461 8.559 1.00 0.00 N ATOM 1911 CA SER B 675 -0.887 5.609 9.501 1.00 0.00 C ATOM 1912 C SER B 675 0.323 6.108 8.732 1.00 0.00 C ATOM 1913 O SER B 675 0.391 5.928 7.523 1.00 0.00 O ATOM 1914 CB SER B 675 -0.590 4.268 10.169 1.00 0.00 C ATOM 1915 OG SER B 675 -1.776 3.700 10.704 1.00 0.00 O ATOM 0 H SER B 675 -2.059 4.531 8.147 1.00 0.00 H new ATOM 0 HA SER B 675 -1.146 6.320 10.285 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.149 3.585 9.443 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.143 4.406 10.963 1.00 0.00 H new ATOM 0 HG SER B 675 -2.278 3.258 9.988 1.00 0.00 H new ATOM 1921 N LYS B 676 1.258 6.764 9.391 1.00 0.00 N ATOM 1922 CA LYS B 676 2.405 7.292 8.673 1.00 0.00 C ATOM 1923 C LYS B 676 3.347 6.176 8.245 1.00 0.00 C ATOM 1924 O LYS B 676 3.978 5.525 9.076 1.00 0.00 O ATOM 1925 CB LYS B 676 3.168 8.329 9.496 1.00 0.00 C ATOM 1926 CG LYS B 676 4.394 8.870 8.774 1.00 0.00 C ATOM 1927 CD LYS B 676 4.025 9.608 7.495 1.00 0.00 C ATOM 1928 CE LYS B 676 3.520 11.002 7.796 1.00 0.00 C ATOM 1929 NZ LYS B 676 3.472 11.853 6.578 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.251 6.942 10.395 1.00 0.00 H new ATOM 0 HA LYS B 676 2.016 7.787 7.783 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.501 9.156 9.739 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.477 7.881 10.440 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.937 9.544 9.437 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.067 8.046 8.536 1.00 0.00 H new ATOM 0 HD2 LYS B 676 4.895 9.667 6.841 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.259 9.049 6.957 1.00 0.00 H new ATOM 0 HE2 LYS B 676 2.524 10.940 8.234 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.166 11.469 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 4.230 12.564 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 3.602 11.259 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 2.550 12.332 6.525 1.00 0.00 H new ATOM 1943 N LEU B 677 3.416 5.957 6.942 1.00 0.00 N ATOM 1944 CA LEU B 677 4.380 5.040 6.373 1.00 0.00 C ATOM 1945 C LEU B 677 5.731 5.729 6.336 1.00 0.00 C ATOM 1946 O LEU B 677 5.922 6.711 5.613 1.00 0.00 O ATOM 1947 CB LEU B 677 3.934 4.597 4.964 1.00 0.00 C ATOM 1948 CG LEU B 677 4.822 3.562 4.244 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.006 4.226 3.556 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.303 2.500 5.220 1.00 0.00 C ATOM 0 H LEU B 677 2.809 6.407 6.257 1.00 0.00 H new ATOM 0 HA LEU B 677 4.453 4.141 6.984 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.928 4.186 5.041 1.00 0.00 H new ATOM 0 HB3 LEU B 677 3.869 5.484 4.334 1.00 0.00 H new ATOM 0 HG LEU B 677 4.215 3.083 3.475 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.610 3.467 3.059 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.644 4.942 2.818 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.613 4.745 4.297 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.928 1.779 4.694 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.882 2.971 6.014 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.444 1.988 5.653 1.00 0.00 H new ATOM 1962 N SER B 678 6.648 5.248 7.148 1.00 0.00 N ATOM 1963 CA SER B 678 7.978 5.808 7.185 1.00 0.00 C ATOM 1964 C SER B 678 9.015 4.701 7.222 1.00 0.00 C ATOM 1965 O SER B 678 8.683 3.518 7.155 1.00 0.00 O ATOM 1966 CB SER B 678 8.144 6.749 8.385 1.00 0.00 C ATOM 1967 OG SER B 678 9.390 7.423 8.352 1.00 0.00 O ATOM 0 H SER B 678 6.495 4.471 7.790 1.00 0.00 H new ATOM 0 HA SER B 678 8.129 6.393 6.278 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.335 7.479 8.390 1.00 0.00 H new ATOM 0 HB3 SER B 678 8.063 6.178 9.310 1.00 0.00 H new ATOM 0 HG SER B 678 9.462 8.015 9.129 1.00 0.00 H new ATOM 1973 N VAL B 679 10.261 5.103 7.334 1.00 0.00 N ATOM 1974 CA VAL B 679 11.381 4.193 7.307 1.00 0.00 C ATOM 1975 C VAL B 679 11.330 3.217 8.488 1.00 0.00 C ATOM 1976 O VAL B 679 10.954 3.583 9.602 1.00 0.00 O ATOM 1977 CB VAL B 679 12.703 4.994 7.267 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.701 6.109 8.297 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.913 4.094 7.445 1.00 0.00 C ATOM 0 H VAL B 679 10.527 6.081 7.448 1.00 0.00 H new ATOM 0 HA VAL B 679 11.327 3.587 6.403 1.00 0.00 H new ATOM 0 HB VAL B 679 12.775 5.447 6.278 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.643 6.654 8.245 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.875 6.791 8.093 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.583 5.684 9.294 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.822 4.695 7.411 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.850 3.586 8.407 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.937 3.354 6.645 1.00 0.00 H new ATOM 1989 N GLY B 680 11.672 1.966 8.210 1.00 0.00 N ATOM 1990 CA GLY B 680 11.582 0.915 9.202 1.00 0.00 C ATOM 1991 C GLY B 680 10.351 0.044 9.030 1.00 0.00 C ATOM 1992 O GLY B 680 10.188 -0.948 9.740 1.00 0.00 O ATOM 0 H GLY B 680 12.015 1.658 7.300 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.474 0.291 9.144 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.569 1.361 10.196 1.00 0.00 H new ATOM 1996 N ASP B 681 9.480 0.399 8.091 1.00 0.00 N ATOM 1997 CA ASP B 681 8.255 -0.368 7.870 1.00 0.00 C ATOM 1998 C ASP B 681 8.355 -1.238 6.619 1.00 0.00 C ATOM 1999 O ASP B 681 8.590 -0.742 5.523 1.00 0.00 O ATOM 2000 CB ASP B 681 7.032 0.555 7.763 1.00 0.00 C ATOM 2001 CG ASP B 681 6.725 1.282 9.059 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.696 0.627 10.120 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.509 2.514 9.025 1.00 0.00 O ATOM 0 H ASP B 681 9.596 1.204 7.476 1.00 0.00 H new ATOM 0 HA ASP B 681 8.129 -1.020 8.735 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.204 1.287 6.974 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.163 -0.034 7.468 1.00 0.00 H new ATOM 2008 N VAL B 682 8.176 -2.541 6.777 1.00 0.00 N ATOM 2009 CA VAL B 682 8.200 -3.446 5.631 1.00 0.00 C ATOM 2010 C VAL B 682 6.941 -3.294 4.784 1.00 0.00 C ATOM 2011 O VAL B 682 5.853 -3.616 5.231 1.00 0.00 O ATOM 2012 CB VAL B 682 8.406 -4.927 6.055 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.637 -5.249 7.292 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.044 -5.889 4.945 1.00 0.00 C ATOM 0 H VAL B 682 8.014 -2.994 7.676 1.00 0.00 H new ATOM 0 HA VAL B 682 9.059 -3.163 5.023 1.00 0.00 H new ATOM 0 HB VAL B 682 9.468 -5.048 6.267 1.00 0.00 H new ATOM 0 HG11 VAL B 682 7.802 -6.292 7.562 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.971 -4.606 8.106 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.574 -5.085 7.113 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.203 -6.913 5.284 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.997 -5.755 4.674 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.671 -5.694 4.075 1.00 0.00 H new ATOM 2024 N CYS B 683 7.092 -2.788 3.563 1.00 0.00 N ATOM 2025 CA CYS B 683 5.942 -2.548 2.693 1.00 0.00 C ATOM 2026 C CYS B 683 5.284 -3.849 2.288 1.00 0.00 C ATOM 2027 O CYS B 683 5.958 -4.855 2.051 1.00 0.00 O ATOM 2028 CB CYS B 683 6.338 -1.808 1.410 1.00 0.00 C ATOM 2029 SG CYS B 683 7.435 -2.750 0.326 1.00 0.00 S ATOM 0 H CYS B 683 7.992 -2.537 3.155 1.00 0.00 H new ATOM 0 HA CYS B 683 5.250 -1.934 3.270 1.00 0.00 H new ATOM 0 HB2 CYS B 683 5.434 -1.549 0.859 1.00 0.00 H new ATOM 0 HB3 CYS B 683 6.827 -0.872 1.679 1.00 0.00 H new ATOM 0 HG CYS B 683 8.626 -2.230 0.356 1.00 0.00 H new ATOM 2035 N ILE B 684 3.971 -3.823 2.218 1.00 0.00 N ATOM 2036 CA ILE B 684 3.238 -4.870 1.561 1.00 0.00 C ATOM 2037 C ILE B 684 3.182 -4.557 0.076 1.00 0.00 C ATOM 2038 O ILE B 684 2.410 -3.704 -0.365 1.00 0.00 O ATOM 2039 CB ILE B 684 1.799 -5.001 2.100 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.812 -5.611 3.493 1.00 0.00 C ATOM 2041 CG2 ILE B 684 0.931 -5.832 1.161 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.453 -5.633 4.155 1.00 0.00 C ATOM 0 H ILE B 684 3.391 -3.082 2.612 1.00 0.00 H new ATOM 0 HA ILE B 684 3.749 -5.814 1.751 1.00 0.00 H new ATOM 0 HB ILE B 684 1.367 -4.002 2.157 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.194 -6.630 3.431 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.504 -5.049 4.121 1.00 0.00 H new ATOM 0 HG21 ILE B 684 -0.077 -5.906 1.568 1.00 0.00 H new ATOM 0 HG22 ILE B 684 0.893 -5.354 0.182 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.356 -6.831 1.061 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.538 -6.081 5.145 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.078 -4.614 4.249 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.237 -6.220 3.549 1.00 0.00 H new ATOM 2054 N SER B 685 4.032 -5.204 -0.685 1.00 0.00 N ATOM 2055 CA SER B 685 3.964 -5.092 -2.119 1.00 0.00 C ATOM 2056 C SER B 685 3.151 -6.255 -2.653 1.00 0.00 C ATOM 2057 O SER B 685 3.490 -7.417 -2.430 1.00 0.00 O ATOM 2058 CB SER B 685 5.373 -5.054 -2.725 1.00 0.00 C ATOM 2059 OG SER B 685 5.378 -5.493 -4.070 1.00 0.00 O ATOM 0 H SER B 685 4.775 -5.810 -0.336 1.00 0.00 H new ATOM 0 HA SER B 685 3.476 -4.159 -2.402 1.00 0.00 H new ATOM 0 HB2 SER B 685 5.764 -4.038 -2.673 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.040 -5.683 -2.135 1.00 0.00 H new ATOM 0 HG SER B 685 5.601 -6.447 -4.102 1.00 0.00 H new ATOM 2065 N LEU B 686 2.054 -5.944 -3.310 1.00 0.00 N ATOM 2066 CA LEU B 686 1.193 -6.969 -3.840 1.00 0.00 C ATOM 2067 C LEU B 686 1.434 -7.116 -5.324 1.00 0.00 C ATOM 2068 O LEU B 686 1.230 -6.170 -6.088 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.265 -6.605 -3.576 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.178 -7.774 -3.223 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.263 -8.779 -4.355 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.698 -8.455 -1.962 1.00 0.00 C ATOM 0 H LEU B 686 1.741 -4.990 -3.488 1.00 0.00 H new ATOM 0 HA LEU B 686 1.413 -7.917 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.299 -5.881 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.664 -6.109 -4.461 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.177 -7.371 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.922 -9.597 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.659 -8.291 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.269 -9.172 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.360 -9.287 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.315 -8.829 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.702 -7.741 -1.139 1.00 0.00 H new ATOM 2084 N THR B 687 1.845 -8.297 -5.736 1.00 0.00 N ATOM 2085 CA THR B 687 2.077 -8.538 -7.141 1.00 0.00 C ATOM 2086 C THR B 687 0.891 -9.273 -7.753 1.00 0.00 C ATOM 2087 O THR B 687 0.433 -10.300 -7.242 1.00 0.00 O ATOM 2088 CB THR B 687 3.398 -9.302 -7.390 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.642 -9.431 -8.796 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.377 -10.679 -6.754 1.00 0.00 C ATOM 0 H THR B 687 2.023 -9.095 -5.126 1.00 0.00 H new ATOM 0 HA THR B 687 2.178 -7.570 -7.631 1.00 0.00 H new ATOM 0 HB THR B 687 4.199 -8.724 -6.930 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.482 -9.915 -8.939 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.322 -11.185 -6.951 1.00 0.00 H new ATOM 0 HG22 THR B 687 3.235 -10.581 -5.678 1.00 0.00 H new ATOM 0 HG23 THR B 687 2.559 -11.262 -7.176 1.00 0.00 H new ATOM 2098 N LEU B 688 0.367 -8.701 -8.819 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.774 -9.257 -9.519 1.00 0.00 C ATOM 2100 C LEU B 688 -0.305 -10.018 -10.751 1.00 0.00 C ATOM 2101 O LEU B 688 0.115 -9.411 -11.739 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.731 -8.125 -9.927 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.909 -7.843 -8.979 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.015 -8.860 -9.198 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.471 -7.840 -7.516 1.00 0.00 C ATOM 0 H LEU B 688 0.722 -7.835 -9.225 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.301 -9.947 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.150 -7.209 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.135 -8.359 -10.912 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.288 -6.848 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -4.843 -8.649 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.365 -8.801 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.632 -9.862 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.332 -7.637 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.051 -8.813 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.717 -7.068 -7.364 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.340 -11.342 -10.678 1.00 0.00 N ATOM 2118 CA LYS B 689 0.058 -12.176 -11.791 1.00 0.00 C ATOM 2119 C LYS B 689 -0.988 -12.133 -12.895 1.00 0.00 C ATOM 2120 O LYS B 689 -0.789 -11.388 -13.877 1.00 0.00 O ATOM 2121 CB LYS B 689 0.275 -13.604 -11.312 1.00 0.00 C ATOM 2122 CG LYS B 689 1.536 -13.762 -10.483 1.00 0.00 C ATOM 2123 CD LYS B 689 2.790 -13.477 -11.295 1.00 0.00 C ATOM 2124 CE LYS B 689 2.975 -14.477 -12.424 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.292 -14.315 -13.092 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -2.023 -12.818 -12.758 1.00 0.00 O ATOM 0 H LYS B 689 -0.643 -11.859 -9.852 1.00 0.00 H new ATOM 0 HA LYS B 689 0.994 -11.795 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.585 -13.918 -10.720 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.328 -14.268 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.496 -13.086 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.584 -14.776 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.734 -12.470 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.661 -13.505 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.889 -15.490 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.178 -14.351 -13.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.382 -15.014 -13.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.364 -13.357 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 5.053 -14.461 -12.399 1.00 0.00 H new TER 2140 LYS B 689