USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1065 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 660 SER OG : rot -180:sc= 1.45 USER MOD Set 1.2: B 666 THR OG1 : rot -83:sc= 1.56 USER MOD Set 2.1: B 631 GLN : amide:sc= 0.175 X(o=0.33,f=0.0044) USER MOD Set 2.2: B 642 SER OG : rot 180:sc= 0.159 USER MOD Set 3.1: B 622 SER OG : rot 155:sc= 1.34 USER MOD Set 3.2: B 624 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 48 GLN : amide:sc= -0.0603 K(o=0.92,f=-3.6!) USER MOD Set 4.2: B 637 HIS : no HE2:sc= 0.977 K(o=0.92,f=-7.7!) USER MOD Single : A 38 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Single : A 39 SER OG : rot 69:sc= 1.19 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0014 USER MOD Single : B 570 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -166:sc= -0.419 (180deg=-0.836) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 148:sc= -0.815 USER MOD Single : B 582 GLN : amide:sc=-0.000107 K(o=-0.00011,f=-1.6) USER MOD Single : B 585 ASN : amide:sc= -1.16 K(o=-1.2,f=-12!) USER MOD Single : B 589 LYS NZ :NH3+ 140:sc= 1.04 (180deg=-0.958!) USER MOD Single : B 590 LYS NZ :NH3+ -153:sc= -0.139 (180deg=-0.818) USER MOD Single : B 595 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0373) USER MOD Single : B 596 THR OG1 : rot -121:sc= -2! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 88:sc= -1.61! USER MOD Single : B 606 SER OG : rot 54:sc= 0.522 USER MOD Single : B 607 ASN : amide:sc= -0.0568 X(o=-0.057,f=-0.22) USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 31:sc= 0.316 USER MOD Single : B 614 SER OG : rot 130:sc= -1.51 USER MOD Single : B 615 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 HIS : no HD1:sc=-0.00321 X(o=-0.0032,f=-0.0032) USER MOD Single : B 640 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -7.22! C(o=-16!,f=-7.2!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.858 USER MOD Single : B 661 CYS SG : rot 93:sc= -0.338 USER MOD Single : B 662 CYS SG : rot 180:sc= -0.0324 USER MOD Single : B 667 SER OG : rot -6:sc= -0.162 USER MOD Single : B 668 GLN : amide:sc= -1.22! X(o=-1.2!,f=-0.72) USER MOD Single : B 674 CYS SG : rot -17:sc= -1.56 USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0538) USER MOD Single : B 678 SER OG : rot 180:sc= -0.617 USER MOD Single : B 683 CYS SG : rot 136:sc= -1.74! USER MOD Single : B 685 SER OG : rot 180:sc= -0.0761 USER MOD Single : B 687 THR OG1 : rot -120:sc= -0.533 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.225 -2.451 -5.450 1.00 0.00 N ATOM 2 CA VAL A 34 -17.113 -3.199 -4.831 1.00 0.00 C ATOM 3 C VAL A 34 -15.968 -3.367 -5.812 1.00 0.00 C ATOM 4 O VAL A 34 -16.174 -3.507 -7.018 1.00 0.00 O ATOM 5 CB VAL A 34 -17.570 -4.575 -4.307 1.00 0.00 C ATOM 6 CG1 VAL A 34 -18.296 -5.366 -5.385 1.00 0.00 C ATOM 7 CG2 VAL A 34 -16.402 -5.373 -3.753 1.00 0.00 C ATOM 0 HA VAL A 34 -16.766 -2.616 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.271 -4.393 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.605 -6.331 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.175 -4.812 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.629 -5.523 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.759 -6.338 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.663 -5.530 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.944 -4.824 -2.930 1.00 0.00 H new ATOM 19 N PHE A 35 -14.763 -3.335 -5.281 1.00 0.00 N ATOM 20 CA PHE A 35 -13.554 -3.394 -6.094 1.00 0.00 C ATOM 21 C PHE A 35 -12.585 -4.441 -5.556 1.00 0.00 C ATOM 22 O PHE A 35 -12.494 -4.639 -4.344 1.00 0.00 O ATOM 23 CB PHE A 35 -12.863 -2.025 -6.133 1.00 0.00 C ATOM 24 CG PHE A 35 -13.466 -1.072 -7.126 1.00 0.00 C ATOM 25 CD1 PHE A 35 -14.794 -0.707 -7.030 1.00 0.00 C ATOM 26 CD2 PHE A 35 -12.707 -0.550 -8.158 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.358 0.162 -7.937 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.264 0.322 -9.073 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.593 0.680 -8.962 1.00 0.00 C ATOM 0 H PHE A 35 -14.589 -3.268 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.848 -3.675 -7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.907 -1.577 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.809 -2.167 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.400 -1.109 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.667 -0.827 -8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.398 0.438 -7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.661 0.723 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.032 1.363 -9.675 1.00 0.00 H new ATOM 39 N PRO A 36 -11.867 -5.137 -6.460 1.00 0.00 N ATOM 40 CA PRO A 36 -10.816 -6.089 -6.084 1.00 0.00 C ATOM 41 C PRO A 36 -9.776 -5.434 -5.187 1.00 0.00 C ATOM 42 O PRO A 36 -9.409 -4.273 -5.396 1.00 0.00 O ATOM 43 CB PRO A 36 -10.196 -6.494 -7.423 1.00 0.00 C ATOM 44 CG PRO A 36 -11.265 -6.243 -8.427 1.00 0.00 C ATOM 45 CD PRO A 36 -12.035 -5.057 -7.921 1.00 0.00 C ATOM 0 HA PRO A 36 -11.204 -6.937 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.304 -5.907 -7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.895 -7.542 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.838 -6.041 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.913 -7.113 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.641 -4.122 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.085 -5.108 -8.208 1.00 0.00 H new ATOM 53 N TRP A 37 -9.292 -6.186 -4.206 1.00 0.00 N ATOM 54 CA TRP A 37 -8.517 -5.619 -3.115 1.00 0.00 C ATOM 55 C TRP A 37 -7.229 -4.917 -3.554 1.00 0.00 C ATOM 56 O TRP A 37 -6.717 -4.071 -2.818 1.00 0.00 O ATOM 57 CB TRP A 37 -8.223 -6.665 -2.036 1.00 0.00 C ATOM 58 CG TRP A 37 -7.597 -7.942 -2.516 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.205 -8.944 -3.213 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.251 -8.375 -2.288 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.320 -9.966 -3.438 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.115 -9.642 -2.880 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.147 -7.813 -1.649 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -4.923 -10.356 -2.844 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -3.964 -8.524 -1.616 1.00 0.00 C ATOM 66 CH2 TRP A 37 -3.862 -9.784 -2.211 1.00 0.00 C ATOM 0 H TRP A 37 -9.425 -7.196 -4.146 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.151 -4.839 -2.693 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.564 -6.217 -1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.157 -6.909 -1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.234 -8.934 -3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.527 -10.829 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.216 -6.839 -1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.841 -11.331 -3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.103 -8.099 -1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.923 -10.315 -2.168 1.00 0.00 H new ATOM 77 N HIS A 38 -6.686 -5.248 -4.729 1.00 0.00 N ATOM 78 CA HIS A 38 -5.533 -4.515 -5.239 1.00 0.00 C ATOM 79 C HIS A 38 -5.943 -3.111 -5.719 1.00 0.00 C ATOM 80 O HIS A 38 -5.838 -2.768 -6.895 1.00 0.00 O ATOM 81 CB HIS A 38 -4.825 -5.303 -6.358 1.00 0.00 C ATOM 82 CG HIS A 38 -5.579 -5.404 -7.660 1.00 0.00 C ATOM 83 ND1 HIS A 38 -5.158 -4.786 -8.820 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.717 -6.061 -7.987 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.001 -5.061 -9.796 1.00 0.00 C ATOM 86 NE2 HIS A 38 -6.954 -5.833 -9.318 1.00 0.00 N ATOM 0 H HIS A 38 -7.019 -6.002 -5.330 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.823 -4.394 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.860 -4.835 -6.553 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.623 -6.311 -5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.326 -6.655 -7.322 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.923 -4.712 -10.815 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.741 -6.202 -9.851 1.00 0.00 H new ATOM 95 N SER A 39 -6.422 -2.304 -4.796 1.00 0.00 N ATOM 96 CA SER A 39 -6.920 -0.983 -5.125 1.00 0.00 C ATOM 97 C SER A 39 -6.146 0.094 -4.363 1.00 0.00 C ATOM 98 O SER A 39 -5.925 1.200 -4.861 1.00 0.00 O ATOM 99 CB SER A 39 -8.414 -0.923 -4.792 1.00 0.00 C ATOM 100 OG SER A 39 -8.959 0.351 -5.066 1.00 0.00 O ATOM 0 H SER A 39 -6.478 -2.541 -3.805 1.00 0.00 H new ATOM 0 HA SER A 39 -6.778 -0.793 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.946 -1.679 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.562 -1.164 -3.739 1.00 0.00 H new ATOM 0 HG SER A 39 -8.983 0.495 -6.035 1.00 0.00 H new ATOM 106 N LEU A 40 -5.709 -0.259 -3.167 1.00 0.00 N ATOM 107 CA LEU A 40 -5.071 0.686 -2.260 1.00 0.00 C ATOM 108 C LEU A 40 -3.691 0.186 -1.858 1.00 0.00 C ATOM 109 O LEU A 40 -3.080 0.706 -0.933 1.00 0.00 O ATOM 110 CB LEU A 40 -5.943 0.867 -1.017 1.00 0.00 C ATOM 111 CG LEU A 40 -7.075 -0.159 -0.880 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.370 -0.446 0.574 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.336 0.338 -1.575 1.00 0.00 C ATOM 0 H LEU A 40 -5.785 -1.206 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.958 1.644 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.309 0.810 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.376 1.867 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.748 -1.083 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.176 -1.176 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.477 -0.844 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.670 0.475 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.127 -0.404 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.654 1.277 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.130 0.496 -2.633 1.00 0.00 H new ATOM 125 N VAL A 41 -3.206 -0.836 -2.551 1.00 0.00 N ATOM 126 CA VAL A 41 -1.908 -1.392 -2.259 1.00 0.00 C ATOM 127 C VAL A 41 -0.913 -1.041 -3.369 1.00 0.00 C ATOM 128 O VAL A 41 -1.054 -1.479 -4.514 1.00 0.00 O ATOM 129 CB VAL A 41 -1.988 -2.924 -2.047 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.654 -3.632 -3.222 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.608 -3.487 -1.804 1.00 0.00 C ATOM 0 H VAL A 41 -3.699 -1.292 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.552 -0.951 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.609 -3.103 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.688 -4.704 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.669 -3.254 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.082 -3.445 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.676 -4.565 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.027 -3.278 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.178 -3.025 -0.915 1.00 0.00 H new ATOM 141 N PRO A 42 0.086 -0.208 -3.047 1.00 0.00 N ATOM 142 CA PRO A 42 1.106 0.198 -4.007 1.00 0.00 C ATOM 143 C PRO A 42 2.082 -0.932 -4.289 1.00 0.00 C ATOM 144 O PRO A 42 2.494 -1.658 -3.380 1.00 0.00 O ATOM 145 CB PRO A 42 1.810 1.363 -3.311 1.00 0.00 C ATOM 146 CG PRO A 42 1.624 1.101 -1.859 1.00 0.00 C ATOM 147 CD PRO A 42 0.302 0.396 -1.721 1.00 0.00 C ATOM 0 HA PRO A 42 0.685 0.469 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.867 1.402 -3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.374 2.319 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.435 0.486 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.629 2.032 -1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.332 -0.361 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.497 1.091 -1.463 1.00 0.00 H new ATOM 155 N PHE A 43 2.451 -1.086 -5.544 1.00 0.00 N ATOM 156 CA PHE A 43 3.294 -2.192 -5.939 1.00 0.00 C ATOM 157 C PHE A 43 4.765 -1.833 -5.803 1.00 0.00 C ATOM 158 O PHE A 43 5.332 -1.146 -6.653 1.00 0.00 O ATOM 159 CB PHE A 43 2.971 -2.622 -7.371 1.00 0.00 C ATOM 160 CG PHE A 43 1.523 -2.975 -7.567 1.00 0.00 C ATOM 161 CD1 PHE A 43 0.897 -3.889 -6.732 1.00 0.00 C ATOM 162 CD2 PHE A 43 0.783 -2.383 -8.578 1.00 0.00 C ATOM 163 CE1 PHE A 43 -0.434 -4.206 -6.903 1.00 0.00 C ATOM 164 CE2 PHE A 43 -0.551 -2.698 -8.753 1.00 0.00 C ATOM 165 CZ PHE A 43 -1.160 -3.610 -7.914 1.00 0.00 C ATOM 0 H PHE A 43 2.181 -0.462 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 43 3.092 -3.030 -5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.239 -1.817 -8.055 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.587 -3.482 -7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.459 -4.358 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.254 -1.668 -9.236 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.908 -4.920 -6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.117 -2.231 -9.546 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.203 -3.857 -8.049 1.00 0.00 H new ATOM 175 N LEU A 44 5.361 -2.270 -4.699 1.00 0.00 N ATOM 176 CA LEU A 44 6.797 -2.149 -4.495 1.00 0.00 C ATOM 177 C LEU A 44 7.529 -2.804 -5.671 1.00 0.00 C ATOM 178 O LEU A 44 7.304 -3.977 -5.983 1.00 0.00 O ATOM 179 CB LEU A 44 7.171 -2.785 -3.130 1.00 0.00 C ATOM 180 CG LEU A 44 8.667 -3.008 -2.818 1.00 0.00 C ATOM 181 CD1 LEU A 44 9.141 -4.361 -3.333 1.00 0.00 C ATOM 182 CD2 LEU A 44 9.530 -1.895 -3.394 1.00 0.00 C ATOM 0 H LEU A 44 4.865 -2.715 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 44 7.101 -1.103 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.757 -2.154 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.669 -3.750 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 44 8.774 -2.993 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.198 -4.490 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.565 -5.154 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.000 -4.409 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.576 -2.085 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.405 -1.861 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.227 -0.940 -2.964 1.00 0.00 H new ATOM 194 N ALA A 45 8.366 -2.014 -6.338 1.00 0.00 N ATOM 195 CA ALA A 45 9.122 -2.470 -7.497 1.00 0.00 C ATOM 196 C ALA A 45 9.994 -3.670 -7.138 1.00 0.00 C ATOM 197 O ALA A 45 10.656 -3.671 -6.101 1.00 0.00 O ATOM 198 CB ALA A 45 9.975 -1.331 -8.039 1.00 0.00 C ATOM 0 H ALA A 45 8.538 -1.040 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 45 8.420 -2.785 -8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.538 -1.678 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.331 -0.502 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.668 -0.996 -7.267 1.00 0.00 H new ATOM 204 N PRO A 46 9.988 -4.708 -7.996 1.00 0.00 N ATOM 205 CA PRO A 46 10.733 -5.952 -7.759 1.00 0.00 C ATOM 206 C PRO A 46 12.199 -5.703 -7.427 1.00 0.00 C ATOM 207 O PRO A 46 12.866 -4.892 -8.071 1.00 0.00 O ATOM 208 CB PRO A 46 10.610 -6.700 -9.086 1.00 0.00 C ATOM 209 CG PRO A 46 9.348 -6.191 -9.685 1.00 0.00 C ATOM 210 CD PRO A 46 9.253 -4.749 -9.274 1.00 0.00 C ATOM 0 HA PRO A 46 10.338 -6.501 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.464 -6.503 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.569 -7.778 -8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.363 -6.288 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.489 -6.757 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.702 -4.089 -10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.217 -4.434 -9.152 1.00 0.00 H new ATOM 218 N SER A 47 12.684 -6.413 -6.422 1.00 0.00 N ATOM 219 CA SER A 47 14.044 -6.252 -5.944 1.00 0.00 C ATOM 220 C SER A 47 15.065 -6.685 -6.994 1.00 0.00 C ATOM 221 O SER A 47 14.916 -7.745 -7.610 1.00 0.00 O ATOM 222 CB SER A 47 14.216 -7.058 -4.661 1.00 0.00 C ATOM 223 OG SER A 47 13.814 -8.407 -4.851 1.00 0.00 O ATOM 0 H SER A 47 12.145 -7.116 -5.916 1.00 0.00 H new ATOM 0 HA SER A 47 14.223 -5.196 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.258 -7.026 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.626 -6.608 -3.862 1.00 0.00 H new ATOM 0 HG SER A 47 13.935 -8.905 -4.016 1.00 0.00 H new ATOM 229 N GLN A 48 16.094 -5.856 -7.177 1.00 0.00 N ATOM 230 CA GLN A 48 17.165 -6.109 -8.140 1.00 0.00 C ATOM 231 C GLN A 48 16.624 -6.117 -9.564 1.00 0.00 C ATOM 232 O GLN A 48 16.517 -7.205 -10.161 1.00 0.00 O ATOM 233 CB GLN A 48 17.882 -7.430 -7.836 1.00 0.00 C ATOM 234 CG GLN A 48 18.555 -7.461 -6.473 1.00 0.00 C ATOM 235 CD GLN A 48 19.271 -8.769 -6.194 1.00 0.00 C ATOM 236 OE1 GLN A 48 19.358 -9.206 -5.047 1.00 0.00 O ATOM 237 NE2 GLN A 48 19.799 -9.396 -7.234 1.00 0.00 N ATOM 238 OXT GLN A 48 16.294 -5.025 -10.074 1.00 0.00 O ATOM 0 H GLN A 48 16.208 -4.985 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 48 17.889 -5.299 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 17.162 -8.246 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 48 18.632 -7.612 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 48 19.270 -6.641 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.805 -7.292 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.705 -9.001 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.300 -10.274 -7.100 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -28.972 12.062 -0.679 1.00 0.00 N ATOM 249 CA ALA B 567 -27.889 11.253 -1.278 1.00 0.00 C ATOM 250 C ALA B 567 -26.535 11.682 -0.733 1.00 0.00 C ATOM 251 O ALA B 567 -26.234 12.875 -0.646 1.00 0.00 O ATOM 252 CB ALA B 567 -27.907 11.373 -2.792 1.00 0.00 C ATOM 0 HA ALA B 567 -28.056 10.210 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -27.103 10.771 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -28.865 11.019 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -27.767 12.416 -3.076 1.00 0.00 H new ATOM 258 N PRO B 568 -25.697 10.708 -0.363 1.00 0.00 N ATOM 259 CA PRO B 568 -24.388 10.974 0.225 1.00 0.00 C ATOM 260 C PRO B 568 -23.362 11.419 -0.812 1.00 0.00 C ATOM 261 O PRO B 568 -23.403 10.988 -1.966 1.00 0.00 O ATOM 262 CB PRO B 568 -23.994 9.625 0.823 1.00 0.00 C ATOM 263 CG PRO B 568 -24.701 8.610 -0.008 1.00 0.00 C ATOM 264 CD PRO B 568 -25.966 9.263 -0.497 1.00 0.00 C ATOM 0 HA PRO B 568 -24.423 11.786 0.951 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -22.914 9.479 0.789 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -24.293 9.555 1.869 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -24.079 8.293 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -24.926 7.718 0.577 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -26.182 8.991 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -26.827 8.960 0.099 1.00 0.00 H new ATOM 272 N PRO B 569 -22.433 12.297 -0.411 1.00 0.00 N ATOM 273 CA PRO B 569 -21.348 12.759 -1.280 1.00 0.00 C ATOM 274 C PRO B 569 -20.254 11.703 -1.415 1.00 0.00 C ATOM 275 O PRO B 569 -19.121 11.896 -0.971 1.00 0.00 O ATOM 276 CB PRO B 569 -20.825 13.994 -0.549 1.00 0.00 C ATOM 277 CG PRO B 569 -21.100 13.723 0.889 1.00 0.00 C ATOM 278 CD PRO B 569 -22.370 12.914 0.928 1.00 0.00 C ATOM 0 HA PRO B 569 -21.678 12.965 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -19.760 14.140 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -21.331 14.898 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -20.276 13.176 1.347 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -21.214 14.653 1.446 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -22.341 12.161 1.715 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -23.239 13.543 1.121 1.00 0.00 H new ATOM 286 N THR B 570 -20.609 10.587 -2.027 1.00 0.00 N ATOM 287 CA THR B 570 -19.723 9.444 -2.124 1.00 0.00 C ATOM 288 C THR B 570 -18.530 9.714 -3.031 1.00 0.00 C ATOM 289 O THR B 570 -18.672 10.200 -4.157 1.00 0.00 O ATOM 290 CB THR B 570 -20.484 8.209 -2.636 1.00 0.00 C ATOM 291 OG1 THR B 570 -21.266 8.559 -3.787 1.00 0.00 O ATOM 292 CG2 THR B 570 -21.388 7.649 -1.549 1.00 0.00 C ATOM 0 H THR B 570 -21.518 10.449 -2.469 1.00 0.00 H new ATOM 0 HA THR B 570 -19.347 9.254 -1.119 1.00 0.00 H new ATOM 0 HB THR B 570 -19.758 7.445 -2.913 1.00 0.00 H new ATOM 0 HG1 THR B 570 -21.747 7.768 -4.109 1.00 0.00 H new ATOM 0 HG21 THR B 570 -21.918 6.776 -1.930 1.00 0.00 H new ATOM 0 HG22 THR B 570 -20.786 7.360 -0.688 1.00 0.00 H new ATOM 0 HG23 THR B 570 -22.110 8.409 -1.249 1.00 0.00 H new ATOM 300 N LEU B 571 -17.352 9.412 -2.516 1.00 0.00 N ATOM 301 CA LEU B 571 -16.133 9.474 -3.293 1.00 0.00 C ATOM 302 C LEU B 571 -16.002 8.207 -4.126 1.00 0.00 C ATOM 303 O LEU B 571 -16.603 7.186 -3.778 1.00 0.00 O ATOM 304 CB LEU B 571 -14.938 9.623 -2.355 1.00 0.00 C ATOM 305 CG LEU B 571 -14.832 10.961 -1.644 1.00 0.00 C ATOM 306 CD1 LEU B 571 -13.943 10.843 -0.422 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.272 11.983 -2.598 1.00 0.00 C ATOM 0 H LEU B 571 -17.216 9.118 -1.549 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.162 10.334 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -14.986 8.834 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.025 9.462 -2.928 1.00 0.00 H new ATOM 0 HG LEU B 571 -15.823 11.273 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -13.878 11.811 0.075 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -14.365 10.109 0.265 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -12.946 10.524 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -14.193 12.946 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.284 11.666 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -14.933 12.077 -3.459 1.00 0.00 H new ATOM 319 N PRO B 572 -15.242 8.257 -5.239 1.00 0.00 N ATOM 320 CA PRO B 572 -15.029 7.104 -6.114 1.00 0.00 C ATOM 321 C PRO B 572 -14.824 5.793 -5.351 1.00 0.00 C ATOM 322 O PRO B 572 -14.083 5.729 -4.368 1.00 0.00 O ATOM 323 CB PRO B 572 -13.775 7.490 -6.885 1.00 0.00 C ATOM 324 CG PRO B 572 -13.871 8.969 -7.012 1.00 0.00 C ATOM 325 CD PRO B 572 -14.548 9.454 -5.753 1.00 0.00 C ATOM 0 HA PRO B 572 -15.896 6.906 -6.744 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -12.872 7.193 -6.352 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.742 7.007 -7.862 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.883 9.416 -7.120 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.445 9.248 -7.896 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.825 9.837 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.248 10.263 -5.962 1.00 0.00 H new ATOM 333 N PRO B 573 -15.460 4.730 -5.845 1.00 0.00 N ATOM 334 CA PRO B 573 -15.565 3.435 -5.159 1.00 0.00 C ATOM 335 C PRO B 573 -14.287 2.616 -5.236 1.00 0.00 C ATOM 336 O PRO B 573 -14.233 1.483 -4.758 1.00 0.00 O ATOM 337 CB PRO B 573 -16.673 2.741 -5.934 1.00 0.00 C ATOM 338 CG PRO B 573 -16.512 3.265 -7.312 1.00 0.00 C ATOM 339 CD PRO B 573 -16.121 4.703 -7.155 1.00 0.00 C ATOM 0 HA PRO B 573 -15.755 3.553 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.567 1.657 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.656 2.977 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.749 2.709 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.439 3.171 -7.878 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.451 5.027 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.989 5.362 -7.182 1.00 0.00 H new ATOM 347 N TYR B 574 -13.285 3.176 -5.887 1.00 0.00 N ATOM 348 CA TYR B 574 -11.990 2.516 -6.013 1.00 0.00 C ATOM 349 C TYR B 574 -11.315 2.295 -4.661 1.00 0.00 C ATOM 350 O TYR B 574 -11.382 1.200 -4.103 1.00 0.00 O ATOM 351 CB TYR B 574 -11.074 3.295 -6.960 1.00 0.00 C ATOM 352 CG TYR B 574 -9.781 2.586 -7.312 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.795 1.370 -7.982 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.548 3.137 -6.984 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.619 0.721 -8.313 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.369 2.495 -7.311 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.410 1.287 -7.975 1.00 0.00 C ATOM 358 OH TYR B 574 -6.236 0.642 -8.299 1.00 0.00 O ATOM 0 H TYR B 574 -13.339 4.089 -6.339 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.175 1.530 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.619 3.506 -7.880 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.834 4.255 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.741 0.923 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.511 4.083 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.649 -0.225 -8.834 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.420 2.937 -7.048 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.474 1.175 -7.991 1.00 0.00 H new ATOM 368 N PHE B 575 -10.660 3.316 -4.141 1.00 0.00 N ATOM 369 CA PHE B 575 -9.919 3.175 -2.898 1.00 0.00 C ATOM 370 C PHE B 575 -10.316 4.264 -1.918 1.00 0.00 C ATOM 371 O PHE B 575 -9.787 4.345 -0.812 1.00 0.00 O ATOM 372 CB PHE B 575 -8.415 3.261 -3.178 1.00 0.00 C ATOM 373 CG PHE B 575 -7.901 4.668 -3.264 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.317 5.516 -4.276 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.013 5.144 -2.316 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.861 6.813 -4.338 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.549 6.440 -2.376 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.977 7.273 -3.387 1.00 0.00 C ATOM 0 H PHE B 575 -10.625 4.247 -4.556 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.154 2.204 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.876 2.733 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.198 2.746 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.007 5.156 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.680 4.493 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.195 7.468 -5.129 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.853 6.802 -1.634 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.618 8.290 -3.434 1.00 0.00 H new ATOM 388 N MET B 576 -11.239 5.113 -2.336 1.00 0.00 N ATOM 389 CA MET B 576 -11.586 6.280 -1.529 1.00 0.00 C ATOM 390 C MET B 576 -12.508 5.891 -0.378 1.00 0.00 C ATOM 391 O MET B 576 -13.120 4.827 -0.411 1.00 0.00 O ATOM 392 CB MET B 576 -12.195 7.391 -2.387 1.00 0.00 C ATOM 393 CG MET B 576 -11.278 7.843 -3.501 1.00 0.00 C ATOM 394 SD MET B 576 -11.686 9.477 -4.140 1.00 0.00 S ATOM 395 CE MET B 576 -10.563 9.579 -5.535 1.00 0.00 C ATOM 0 H MET B 576 -11.755 5.024 -3.211 1.00 0.00 H new ATOM 0 HA MET B 576 -10.666 6.674 -1.098 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.133 7.039 -2.816 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.435 8.244 -1.752 1.00 0.00 H new ATOM 0 HG2 MET B 576 -10.251 7.849 -3.137 1.00 0.00 H new ATOM 0 HG3 MET B 576 -11.323 7.120 -4.316 1.00 0.00 H new ATOM 0 HE1 MET B 576 -10.510 10.610 -5.884 1.00 0.00 H new ATOM 0 HE2 MET B 576 -9.571 9.248 -5.228 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.925 8.941 -6.341 1.00 0.00 H new ATOM 405 N LYS B 577 -12.599 6.765 0.625 1.00 0.00 N ATOM 406 CA LYS B 577 -13.253 6.449 1.900 1.00 0.00 C ATOM 407 C LYS B 577 -14.571 5.694 1.736 1.00 0.00 C ATOM 408 O LYS B 577 -15.493 6.149 1.051 1.00 0.00 O ATOM 409 CB LYS B 577 -13.513 7.723 2.702 1.00 0.00 C ATOM 410 CG LYS B 577 -14.130 7.454 4.067 1.00 0.00 C ATOM 411 CD LYS B 577 -14.509 8.741 4.775 1.00 0.00 C ATOM 412 CE LYS B 577 -15.069 8.471 6.161 1.00 0.00 C ATOM 413 NZ LYS B 577 -15.375 9.731 6.886 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.222 7.712 0.579 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.561 5.795 2.431 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.574 8.260 2.834 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.176 8.375 2.133 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -15.015 6.829 3.949 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.424 6.895 4.681 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.633 9.385 4.855 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.248 9.280 4.182 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.975 7.871 6.077 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -14.351 7.886 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -15.755 9.506 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -14.506 10.292 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -16.079 10.278 6.350 1.00 0.00 H new ATOM 427 N GLY B 578 -14.636 4.535 2.377 1.00 0.00 N ATOM 428 CA GLY B 578 -15.869 3.783 2.454 1.00 0.00 C ATOM 429 C GLY B 578 -16.156 2.950 1.228 1.00 0.00 C ATOM 430 O GLY B 578 -17.226 2.347 1.135 1.00 0.00 O ATOM 0 H GLY B 578 -13.845 4.099 2.850 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -15.830 3.128 3.325 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.696 4.475 2.612 1.00 0.00 H new ATOM 434 N SER B 579 -15.225 2.907 0.286 1.00 0.00 N ATOM 435 CA SER B 579 -15.392 2.045 -0.863 1.00 0.00 C ATOM 436 C SER B 579 -15.279 0.595 -0.413 1.00 0.00 C ATOM 437 O SER B 579 -14.465 0.265 0.452 1.00 0.00 O ATOM 438 CB SER B 579 -14.373 2.379 -1.956 1.00 0.00 C ATOM 439 OG SER B 579 -13.057 2.021 -1.597 1.00 0.00 O ATOM 0 H SER B 579 -14.362 3.451 0.297 1.00 0.00 H new ATOM 0 HA SER B 579 -16.379 2.204 -1.297 1.00 0.00 H new ATOM 0 HB2 SER B 579 -14.649 1.862 -2.875 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.410 3.448 -2.168 1.00 0.00 H new ATOM 0 HG SER B 579 -12.556 1.767 -2.400 1.00 0.00 H new ATOM 445 N ILE B 580 -16.118 -0.265 -0.957 1.00 0.00 N ATOM 446 CA ILE B 580 -16.172 -1.632 -0.491 1.00 0.00 C ATOM 447 C ILE B 580 -15.133 -2.478 -1.203 1.00 0.00 C ATOM 448 O ILE B 580 -15.234 -2.754 -2.401 1.00 0.00 O ATOM 449 CB ILE B 580 -17.580 -2.227 -0.657 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.601 -1.356 0.088 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.622 -3.659 -0.149 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.243 -1.079 1.541 1.00 0.00 C ATOM 0 H ILE B 580 -16.764 -0.043 -1.714 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.943 -1.634 0.575 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.835 -2.241 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.703 -0.406 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.574 -1.846 0.052 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.627 -4.061 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.915 -4.266 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.354 -3.678 0.907 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -19.016 -0.458 1.994 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.171 -2.021 2.084 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.286 -0.559 1.587 1.00 0.00 H new ATOM 464 N ILE B 581 -14.124 -2.867 -0.449 1.00 0.00 N ATOM 465 CA ILE B 581 -12.991 -3.589 -0.990 1.00 0.00 C ATOM 466 C ILE B 581 -13.184 -5.090 -0.808 1.00 0.00 C ATOM 467 O ILE B 581 -13.530 -5.551 0.284 1.00 0.00 O ATOM 468 CB ILE B 581 -11.684 -3.145 -0.301 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.607 -1.618 -0.221 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.478 -3.690 -1.038 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.658 -0.918 -1.560 1.00 0.00 C ATOM 0 H ILE B 581 -14.067 -2.692 0.554 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.921 -3.364 -2.054 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.683 -3.547 0.712 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.430 -1.257 0.395 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.683 -1.339 0.286 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.567 -3.365 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.519 -4.779 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.479 -3.318 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.598 0.160 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.819 -1.246 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.594 -1.162 -2.063 1.00 0.00 H new ATOM 483 N GLN B 582 -12.974 -5.842 -1.879 1.00 0.00 N ATOM 484 CA GLN B 582 -13.165 -7.281 -1.851 1.00 0.00 C ATOM 485 C GLN B 582 -11.838 -8.006 -1.834 1.00 0.00 C ATOM 486 O GLN B 582 -11.040 -7.889 -2.762 1.00 0.00 O ATOM 487 CB GLN B 582 -13.968 -7.734 -3.057 1.00 0.00 C ATOM 488 CG GLN B 582 -14.337 -9.210 -3.031 1.00 0.00 C ATOM 489 CD GLN B 582 -15.244 -9.599 -4.177 1.00 0.00 C ATOM 490 OE1 GLN B 582 -16.029 -8.786 -4.668 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.146 -10.843 -4.615 1.00 0.00 N ATOM 0 H GLN B 582 -12.670 -5.475 -2.781 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.711 -7.523 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -14.881 -7.142 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.395 -7.528 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.428 -9.810 -3.072 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.830 -9.442 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -14.483 -11.486 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -15.733 -11.160 -5.387 1.00 0.00 H new ATOM 500 N LEU B 583 -11.625 -8.775 -0.786 1.00 0.00 N ATOM 501 CA LEU B 583 -10.391 -9.511 -0.616 1.00 0.00 C ATOM 502 C LEU B 583 -10.404 -10.799 -1.438 1.00 0.00 C ATOM 503 O LEU B 583 -11.423 -11.135 -2.042 1.00 0.00 O ATOM 504 CB LEU B 583 -10.187 -9.800 0.862 1.00 0.00 C ATOM 505 CG LEU B 583 -10.161 -8.556 1.747 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.003 -8.953 3.203 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.046 -7.609 1.306 1.00 0.00 C ATOM 0 H LEU B 583 -12.299 -8.907 -0.032 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.558 -8.910 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.985 -10.459 1.205 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.249 -10.341 0.988 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.108 -8.027 1.641 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.986 -8.058 3.824 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.840 -9.585 3.501 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.070 -9.502 3.331 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.042 -6.728 1.948 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.085 -8.118 1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.214 -7.305 0.273 1.00 0.00 H new ATOM 519 N ALA B 584 -9.290 -11.520 -1.464 1.00 0.00 N ATOM 520 CA ALA B 584 -9.189 -12.714 -2.302 1.00 0.00 C ATOM 521 C ALA B 584 -10.106 -13.820 -1.798 1.00 0.00 C ATOM 522 O ALA B 584 -10.608 -14.630 -2.577 1.00 0.00 O ATOM 523 CB ALA B 584 -7.756 -13.214 -2.377 1.00 0.00 C ATOM 0 H ALA B 584 -8.452 -11.305 -0.923 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.508 -12.433 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.713 -14.102 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.121 -12.437 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.404 -13.462 -1.376 1.00 0.00 H new ATOM 529 N ASN B 585 -10.337 -13.834 -0.494 1.00 0.00 N ATOM 530 CA ASN B 585 -11.204 -14.828 0.115 1.00 0.00 C ATOM 531 C ASN B 585 -12.667 -14.496 -0.170 1.00 0.00 C ATOM 532 O ASN B 585 -13.558 -15.311 0.065 1.00 0.00 O ATOM 533 CB ASN B 585 -10.947 -14.916 1.623 1.00 0.00 C ATOM 534 CG ASN B 585 -11.304 -13.649 2.373 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.318 -12.557 1.809 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.566 -13.786 3.661 1.00 0.00 N ATOM 0 H ASN B 585 -9.934 -13.166 0.163 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.981 -15.802 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.522 -15.746 2.034 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.894 -15.144 1.791 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.791 -12.967 4.226 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.544 -14.711 4.090 1.00 0.00 H new ATOM 543 N GLY B 586 -12.901 -13.288 -0.677 1.00 0.00 N ATOM 544 CA GLY B 586 -14.223 -12.911 -1.125 1.00 0.00 C ATOM 545 C GLY B 586 -14.971 -12.046 -0.136 1.00 0.00 C ATOM 546 O GLY B 586 -16.127 -11.691 -0.379 1.00 0.00 O ATOM 0 H GLY B 586 -12.192 -12.563 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.139 -12.377 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.803 -13.813 -1.318 1.00 0.00 H new ATOM 550 N GLU B 587 -14.335 -11.686 0.972 1.00 0.00 N ATOM 551 CA GLU B 587 -15.020 -10.906 1.989 1.00 0.00 C ATOM 552 C GLU B 587 -14.923 -9.421 1.672 1.00 0.00 C ATOM 553 O GLU B 587 -13.969 -8.968 1.031 1.00 0.00 O ATOM 554 CB GLU B 587 -14.478 -11.209 3.388 1.00 0.00 C ATOM 555 CG GLU B 587 -13.116 -10.624 3.683 1.00 0.00 C ATOM 556 CD GLU B 587 -12.702 -10.850 5.122 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.210 -10.139 6.015 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.886 -11.760 5.377 1.00 0.00 O ATOM 0 H GLU B 587 -13.365 -11.917 1.185 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.072 -11.191 1.982 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.187 -10.833 4.126 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.429 -12.290 3.516 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.377 -11.072 3.018 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.127 -9.555 3.473 1.00 0.00 H new ATOM 565 N LEU B 588 -15.921 -8.675 2.111 1.00 0.00 N ATOM 566 CA LEU B 588 -16.035 -7.267 1.773 1.00 0.00 C ATOM 567 C LEU B 588 -15.828 -6.397 2.999 1.00 0.00 C ATOM 568 O LEU B 588 -16.572 -6.496 3.977 1.00 0.00 O ATOM 569 CB LEU B 588 -17.410 -7.008 1.164 1.00 0.00 C ATOM 570 CG LEU B 588 -17.745 -7.892 -0.036 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.156 -7.621 -0.524 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.738 -7.664 -1.151 1.00 0.00 C ATOM 0 H LEU B 588 -16.671 -9.025 2.708 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.261 -7.012 1.049 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.168 -7.157 1.933 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.467 -5.963 0.858 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.690 -8.935 0.274 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.374 -8.261 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.865 -7.831 0.277 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.244 -6.576 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -16.986 -8.299 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.766 -6.619 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.738 -7.910 -0.794 1.00 0.00 H new ATOM 584 N LYS B 589 -14.816 -5.546 2.949 1.00 0.00 N ATOM 585 CA LYS B 589 -14.483 -4.692 4.075 1.00 0.00 C ATOM 586 C LYS B 589 -14.266 -3.259 3.613 1.00 0.00 C ATOM 587 O LYS B 589 -13.989 -3.008 2.441 1.00 0.00 O ATOM 588 CB LYS B 589 -13.226 -5.213 4.770 1.00 0.00 C ATOM 589 CG LYS B 589 -13.346 -6.653 5.240 1.00 0.00 C ATOM 590 CD LYS B 589 -12.061 -7.168 5.871 1.00 0.00 C ATOM 591 CE LYS B 589 -11.838 -6.615 7.272 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.123 -5.312 7.270 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.210 -5.429 2.137 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.314 -4.707 4.780 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.382 -5.132 4.085 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.004 -4.577 5.627 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.158 -6.730 5.963 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.611 -7.287 4.394 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.092 -8.257 5.914 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.216 -6.898 5.238 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.801 -6.495 7.768 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.267 -7.337 7.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.540 -4.686 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.118 -5.467 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.210 -4.870 6.333 1.00 0.00 H new ATOM 606 N LYS B 590 -14.409 -2.326 4.542 1.00 0.00 N ATOM 607 CA LYS B 590 -14.228 -0.910 4.256 1.00 0.00 C ATOM 608 C LYS B 590 -12.753 -0.555 4.147 1.00 0.00 C ATOM 609 O LYS B 590 -11.930 -1.136 4.858 1.00 0.00 O ATOM 610 CB LYS B 590 -14.889 -0.079 5.348 1.00 0.00 C ATOM 611 CG LYS B 590 -16.400 -0.175 5.330 1.00 0.00 C ATOM 612 CD LYS B 590 -17.006 0.865 4.409 1.00 0.00 C ATOM 613 CE LYS B 590 -17.061 2.224 5.079 1.00 0.00 C ATOM 614 NZ LYS B 590 -17.868 2.204 6.331 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.653 -2.527 5.512 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.697 -0.689 3.297 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.521 -0.407 6.320 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.595 0.964 5.232 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.700 -1.171 5.004 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.787 -0.040 6.340 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.418 0.931 3.494 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -18.011 0.558 4.120 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -16.048 2.555 5.307 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -17.486 2.951 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -18.262 3.151 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -18.644 1.519 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -17.262 1.928 7.130 1.00 0.00 H new ATOM 628 N VAL B 591 -12.433 0.391 3.269 1.00 0.00 N ATOM 629 CA VAL B 591 -11.043 0.719 2.941 1.00 0.00 C ATOM 630 C VAL B 591 -10.200 0.943 4.188 1.00 0.00 C ATOM 631 O VAL B 591 -9.133 0.353 4.351 1.00 0.00 O ATOM 632 CB VAL B 591 -10.940 2.013 2.117 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.599 2.088 1.414 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.077 2.144 1.133 1.00 0.00 C ATOM 0 H VAL B 591 -13.122 0.950 2.766 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.677 -0.137 2.374 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.017 2.853 2.807 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.543 3.010 0.835 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.799 2.075 2.154 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.490 1.233 0.746 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.967 3.071 0.571 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -12.062 1.299 0.445 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.025 2.157 1.672 1.00 0.00 H new ATOM 644 N GLU B 592 -10.715 1.777 5.072 1.00 0.00 N ATOM 645 CA GLU B 592 -9.972 2.232 6.233 1.00 0.00 C ATOM 646 C GLU B 592 -9.803 1.122 7.263 1.00 0.00 C ATOM 647 O GLU B 592 -8.856 1.123 8.052 1.00 0.00 O ATOM 648 CB GLU B 592 -10.685 3.418 6.874 1.00 0.00 C ATOM 649 CG GLU B 592 -12.145 3.143 7.189 1.00 0.00 C ATOM 650 CD GLU B 592 -13.088 3.561 6.075 1.00 0.00 C ATOM 651 OE1 GLU B 592 -13.177 2.837 5.062 1.00 0.00 O ATOM 652 OE2 GLU B 592 -13.748 4.613 6.217 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.659 2.158 5.006 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.981 2.534 5.895 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.167 3.690 7.794 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.620 4.276 6.205 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.273 2.078 7.384 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.418 3.670 8.103 1.00 0.00 H new ATOM 659 N ASP B 593 -10.728 0.181 7.249 1.00 0.00 N ATOM 660 CA ASP B 593 -10.748 -0.888 8.237 1.00 0.00 C ATOM 661 C ASP B 593 -9.937 -2.090 7.774 1.00 0.00 C ATOM 662 O ASP B 593 -9.698 -3.025 8.539 1.00 0.00 O ATOM 663 CB ASP B 593 -12.198 -1.298 8.521 1.00 0.00 C ATOM 664 CG ASP B 593 -12.315 -2.370 9.583 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.200 -2.039 10.780 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.541 -3.550 9.226 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.480 0.133 6.562 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.289 -0.517 9.154 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.762 -0.420 8.836 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.655 -1.657 7.599 1.00 0.00 H new ATOM 671 N LEU B 594 -9.525 -2.073 6.518 1.00 0.00 N ATOM 672 CA LEU B 594 -8.667 -3.116 5.991 1.00 0.00 C ATOM 673 C LEU B 594 -7.360 -3.171 6.761 1.00 0.00 C ATOM 674 O LEU B 594 -6.622 -2.187 6.838 1.00 0.00 O ATOM 675 CB LEU B 594 -8.392 -2.878 4.515 1.00 0.00 C ATOM 676 CG LEU B 594 -9.621 -2.952 3.620 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.322 -2.324 2.288 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.059 -4.388 3.423 1.00 0.00 C ATOM 0 H LEU B 594 -9.772 -1.347 5.845 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.179 -4.071 6.105 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.933 -1.896 4.398 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.664 -3.613 4.172 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.432 -2.407 4.104 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.206 -2.380 1.653 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.045 -1.280 2.432 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.498 -2.856 1.812 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -10.939 -4.415 2.780 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.252 -4.954 2.958 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.302 -4.830 4.389 1.00 0.00 H new ATOM 690 N LYS B 595 -7.100 -4.317 7.348 1.00 0.00 N ATOM 691 CA LYS B 595 -5.883 -4.530 8.096 1.00 0.00 C ATOM 692 C LYS B 595 -4.898 -5.309 7.247 1.00 0.00 C ATOM 693 O LYS B 595 -5.289 -5.926 6.256 1.00 0.00 O ATOM 694 CB LYS B 595 -6.176 -5.277 9.400 1.00 0.00 C ATOM 695 CG LYS B 595 -7.098 -4.521 10.343 1.00 0.00 C ATOM 696 CD LYS B 595 -6.503 -3.182 10.750 1.00 0.00 C ATOM 697 CE LYS B 595 -7.451 -2.385 11.631 1.00 0.00 C ATOM 698 NZ LYS B 595 -7.672 -3.036 12.948 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.723 -5.124 7.321 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.448 -3.564 8.352 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.625 -6.242 9.163 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.235 -5.480 9.911 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.062 -4.360 9.860 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.284 -5.123 11.232 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.566 -3.348 11.282 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.265 -2.604 9.857 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.047 -1.385 11.785 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -8.407 -2.267 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -8.242 -2.411 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.174 -3.936 12.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -6.755 -3.217 13.404 1.00 0.00 H new ATOM 712 N THR B 596 -3.633 -5.285 7.617 1.00 0.00 N ATOM 713 CA THR B 596 -2.613 -5.975 6.845 1.00 0.00 C ATOM 714 C THR B 596 -2.938 -7.462 6.717 1.00 0.00 C ATOM 715 O THR B 596 -2.697 -8.062 5.670 1.00 0.00 O ATOM 716 CB THR B 596 -1.218 -5.781 7.470 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.218 -6.448 6.690 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.183 -6.311 8.885 1.00 0.00 C ATOM 0 H THR B 596 -3.286 -4.798 8.443 1.00 0.00 H new ATOM 0 HA THR B 596 -2.602 -5.538 5.846 1.00 0.00 H new ATOM 0 HB THR B 596 -1.009 -4.711 7.486 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.245 -7.108 7.247 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.188 -6.163 9.305 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.916 -5.778 9.491 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.420 -7.375 8.881 1.00 0.00 H new ATOM 726 N GLU B 597 -3.529 -8.034 7.766 1.00 0.00 N ATOM 727 CA GLU B 597 -3.872 -9.452 7.784 1.00 0.00 C ATOM 728 C GLU B 597 -4.902 -9.782 6.711 1.00 0.00 C ATOM 729 O GLU B 597 -4.921 -10.892 6.179 1.00 0.00 O ATOM 730 CB GLU B 597 -4.392 -9.856 9.159 1.00 0.00 C ATOM 731 CG GLU B 597 -3.418 -9.543 10.280 1.00 0.00 C ATOM 732 CD GLU B 597 -3.796 -10.202 11.586 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.618 -9.633 12.331 1.00 0.00 O ATOM 734 OE2 GLU B 597 -3.258 -11.290 11.882 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.780 -7.532 8.618 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.967 -10.020 7.569 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.334 -9.342 9.350 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.606 -10.925 9.160 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.420 -9.870 9.989 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.371 -8.463 10.423 1.00 0.00 H new ATOM 741 N ASP B 598 -5.738 -8.801 6.387 1.00 0.00 N ATOM 742 CA ASP B 598 -6.736 -8.957 5.337 1.00 0.00 C ATOM 743 C ASP B 598 -6.054 -9.257 4.016 1.00 0.00 C ATOM 744 O ASP B 598 -6.392 -10.218 3.323 1.00 0.00 O ATOM 745 CB ASP B 598 -7.582 -7.689 5.184 1.00 0.00 C ATOM 746 CG ASP B 598 -8.553 -7.471 6.324 1.00 0.00 C ATOM 747 OD1 ASP B 598 -9.176 -8.448 6.774 1.00 0.00 O1- ATOM 748 OD2 ASP B 598 -8.702 -6.316 6.773 1.00 0.00 O ATOM 0 H ASP B 598 -5.743 -7.887 6.839 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.389 -9.783 5.618 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.920 -6.826 5.111 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.139 -7.744 4.248 1.00 0.00 H new ATOM 753 N PHE B 599 -5.078 -8.426 3.681 1.00 0.00 N ATOM 754 CA PHE B 599 -4.340 -8.583 2.441 1.00 0.00 C ATOM 755 C PHE B 599 -3.420 -9.790 2.519 1.00 0.00 C ATOM 756 O PHE B 599 -3.256 -10.511 1.533 1.00 0.00 O ATOM 757 CB PHE B 599 -3.546 -7.315 2.100 1.00 0.00 C ATOM 758 CG PHE B 599 -4.400 -6.202 1.549 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.624 -5.891 2.122 1.00 0.00 C ATOM 760 CD2 PHE B 599 -3.986 -5.482 0.439 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.413 -4.882 1.604 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.773 -4.474 -0.085 1.00 0.00 C ATOM 763 CZ PHE B 599 -5.988 -4.173 0.499 1.00 0.00 C ATOM 0 H PHE B 599 -4.780 -7.636 4.253 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.060 -8.747 1.640 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.037 -6.962 2.997 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.774 -7.564 1.372 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.965 -6.445 2.984 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.037 -5.712 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.362 -4.648 2.064 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.438 -3.922 -0.951 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.604 -3.385 0.092 1.00 0.00 H new ATOM 773 N ILE B 600 -2.827 -10.009 3.697 1.00 0.00 N ATOM 774 CA ILE B 600 -1.985 -11.172 3.925 1.00 0.00 C ATOM 775 C ILE B 600 -2.718 -12.454 3.566 1.00 0.00 C ATOM 776 O ILE B 600 -2.285 -13.186 2.681 1.00 0.00 O ATOM 777 CB ILE B 600 -1.521 -11.235 5.392 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.511 -10.123 5.663 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.926 -12.597 5.724 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.099 -10.013 7.113 1.00 0.00 C ATOM 0 H ILE B 600 -2.919 -9.392 4.504 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.111 -11.075 3.281 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.389 -11.091 6.036 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.377 -10.295 5.055 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.937 -9.172 5.343 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.608 -12.611 6.766 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.677 -13.371 5.564 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.067 -12.786 5.080 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.620 -9.201 7.226 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.977 -9.809 7.726 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.358 -10.949 7.434 1.00 0.00 H new ATOM 792 N GLN B 601 -3.855 -12.695 4.213 1.00 0.00 N ATOM 793 CA GLN B 601 -4.614 -13.908 3.957 1.00 0.00 C ATOM 794 C GLN B 601 -5.011 -13.995 2.500 1.00 0.00 C ATOM 795 O GLN B 601 -4.854 -15.037 1.879 1.00 0.00 O ATOM 796 CB GLN B 601 -5.854 -13.994 4.845 1.00 0.00 C ATOM 797 CG GLN B 601 -5.546 -14.502 6.238 1.00 0.00 C ATOM 798 CD GLN B 601 -6.789 -14.797 7.052 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.308 -13.931 7.749 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.270 -16.029 6.976 1.00 0.00 N ATOM 0 H GLN B 601 -4.265 -12.073 4.910 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.968 -14.752 4.198 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.313 -13.008 4.916 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.585 -14.653 4.377 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.945 -15.408 6.163 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.943 -13.762 6.763 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.809 -16.721 6.385 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.101 -16.286 7.509 1.00 0.00 H new ATOM 809 N SER B 602 -5.477 -12.886 1.950 1.00 0.00 N ATOM 810 CA SER B 602 -5.941 -12.855 0.573 1.00 0.00 C ATOM 811 C SER B 602 -4.894 -13.421 -0.389 1.00 0.00 C ATOM 812 O SER B 602 -5.197 -14.280 -1.216 1.00 0.00 O ATOM 813 CB SER B 602 -6.301 -11.427 0.179 1.00 0.00 C ATOM 814 OG SER B 602 -7.399 -10.956 0.936 1.00 0.00 O ATOM 0 H SER B 602 -5.544 -11.993 2.438 1.00 0.00 H new ATOM 0 HA SER B 602 -6.828 -13.485 0.503 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.441 -10.775 0.334 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.543 -11.389 -0.883 1.00 0.00 H new ATOM 0 HG SER B 602 -7.074 -10.556 1.770 1.00 0.00 H new ATOM 820 N ALA B 603 -3.662 -12.966 -0.259 1.00 0.00 N ATOM 821 CA ALA B 603 -2.606 -13.407 -1.152 1.00 0.00 C ATOM 822 C ALA B 603 -2.155 -14.829 -0.822 1.00 0.00 C ATOM 823 O ALA B 603 -1.794 -15.602 -1.710 1.00 0.00 O ATOM 824 CB ALA B 603 -1.437 -12.453 -1.082 1.00 0.00 C ATOM 0 H ALA B 603 -3.368 -12.295 0.451 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.001 -13.412 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.650 -12.792 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.763 -11.456 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.054 -12.422 -0.062 1.00 0.00 H new ATOM 830 N GLU B 604 -2.203 -15.174 0.458 1.00 0.00 N ATOM 831 CA GLU B 604 -1.748 -16.478 0.928 1.00 0.00 C ATOM 832 C GLU B 604 -2.684 -17.584 0.465 1.00 0.00 C ATOM 833 O GLU B 604 -2.248 -18.694 0.147 1.00 0.00 O ATOM 834 CB GLU B 604 -1.659 -16.468 2.447 1.00 0.00 C ATOM 835 CG GLU B 604 -0.572 -15.553 2.971 1.00 0.00 C ATOM 836 CD GLU B 604 0.807 -16.173 2.886 1.00 0.00 C ATOM 837 OE1 GLU B 604 1.416 -16.141 1.798 1.00 0.00 O1- ATOM 838 OE2 GLU B 604 1.288 -16.706 3.908 1.00 0.00 O ATOM 0 H GLU B 604 -2.555 -14.564 1.196 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.762 -16.675 0.506 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.619 -16.156 2.859 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.474 -17.482 2.801 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.583 -14.622 2.404 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.787 -15.297 4.008 1.00 0.00 H new ATOM 845 N ILE B 605 -3.971 -17.269 0.427 1.00 0.00 N ATOM 846 CA ILE B 605 -4.988 -18.196 -0.056 1.00 0.00 C ATOM 847 C ILE B 605 -4.764 -18.499 -1.543 1.00 0.00 C ATOM 848 O ILE B 605 -5.284 -19.478 -2.082 1.00 0.00 O ATOM 849 CB ILE B 605 -6.403 -17.625 0.203 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.551 -17.321 1.697 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.486 -18.598 -0.250 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.795 -16.545 2.065 1.00 0.00 C ATOM 0 H ILE B 605 -4.340 -16.367 0.729 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.906 -19.135 0.492 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.525 -16.709 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.551 -18.262 2.247 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.678 -16.759 2.027 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.468 -18.167 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.380 -18.789 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.386 -19.535 0.298 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.814 -16.377 3.142 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.791 -15.585 1.548 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.678 -17.112 1.771 1.00 0.00 H new ATOM 864 N SER B 606 -3.962 -17.642 -2.180 1.00 0.00 N ATOM 865 CA SER B 606 -3.441 -17.874 -3.525 1.00 0.00 C ATOM 866 C SER B 606 -4.526 -17.754 -4.594 1.00 0.00 C ATOM 867 O SER B 606 -5.365 -18.640 -4.756 1.00 0.00 O ATOM 868 CB SER B 606 -2.753 -19.241 -3.592 1.00 0.00 C ATOM 869 OG SER B 606 -1.821 -19.386 -2.528 1.00 0.00 O ATOM 0 H SER B 606 -3.654 -16.760 -1.771 1.00 0.00 H new ATOM 0 HA SER B 606 -2.707 -17.096 -3.736 1.00 0.00 H new ATOM 0 HB2 SER B 606 -3.500 -20.033 -3.538 1.00 0.00 H new ATOM 0 HB3 SER B 606 -2.241 -19.350 -4.548 1.00 0.00 H new ATOM 0 HG SER B 606 -2.271 -19.218 -1.674 1.00 0.00 H new ATOM 875 N ASN B 607 -4.488 -16.649 -5.323 1.00 0.00 N ATOM 876 CA ASN B 607 -5.455 -16.380 -6.379 1.00 0.00 C ATOM 877 C ASN B 607 -4.823 -15.434 -7.396 1.00 0.00 C ATOM 878 O ASN B 607 -5.389 -14.395 -7.740 1.00 0.00 O ATOM 879 CB ASN B 607 -6.736 -15.776 -5.776 1.00 0.00 C ATOM 880 CG ASN B 607 -7.903 -15.724 -6.752 1.00 0.00 C ATOM 881 OD1 ASN B 607 -8.134 -14.716 -7.421 1.00 0.00 O ATOM 882 ND2 ASN B 607 -8.656 -16.810 -6.831 1.00 0.00 N ATOM 0 H ASN B 607 -3.790 -15.916 -5.201 1.00 0.00 H new ATOM 0 HA ASN B 607 -5.730 -17.307 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -7.028 -16.361 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -6.521 -14.767 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -9.458 -16.830 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -8.434 -17.627 -6.262 1.00 0.00 H new ATOM 889 N ASP B 608 -3.624 -15.808 -7.854 1.00 0.00 N ATOM 890 CA ASP B 608 -2.822 -14.980 -8.765 1.00 0.00 C ATOM 891 C ASP B 608 -2.358 -13.718 -8.051 1.00 0.00 C ATOM 892 O ASP B 608 -2.246 -12.646 -8.652 1.00 0.00 O ATOM 893 CB ASP B 608 -3.610 -14.618 -10.031 1.00 0.00 C ATOM 894 CG ASP B 608 -3.890 -15.820 -10.905 1.00 0.00 C ATOM 895 OD1 ASP B 608 -2.977 -16.255 -11.636 1.00 0.00 O ATOM 896 OD2 ASP B 608 -5.030 -16.332 -10.875 1.00 0.00 O1- ATOM 0 H ASP B 608 -3.181 -16.692 -7.605 1.00 0.00 H new ATOM 0 HA ASP B 608 -1.950 -15.559 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.554 -14.153 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -3.050 -13.879 -10.604 1.00 0.00 H new ATOM 901 N LEU B 609 -2.076 -13.871 -6.761 1.00 0.00 N ATOM 902 CA LEU B 609 -1.772 -12.753 -5.877 1.00 0.00 C ATOM 903 C LEU B 609 -0.870 -13.234 -4.740 1.00 0.00 C ATOM 904 O LEU B 609 -1.164 -14.252 -4.118 1.00 0.00 O ATOM 905 CB LEU B 609 -3.080 -12.197 -5.293 1.00 0.00 C ATOM 906 CG LEU B 609 -4.119 -11.758 -6.330 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.521 -11.774 -5.747 1.00 0.00 C ATOM 908 CD2 LEU B 609 -3.786 -10.376 -6.853 1.00 0.00 C ATOM 0 H LEU B 609 -2.052 -14.779 -6.298 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.261 -11.971 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.527 -12.958 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.842 -11.345 -4.656 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.090 -12.468 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -6.235 -11.458 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -5.766 -12.783 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.570 -11.092 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -4.532 -10.076 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -3.785 -9.665 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -2.801 -10.391 -7.320 1.00 0.00 H new ATOM 920 N LYS B 610 0.223 -12.525 -4.470 1.00 0.00 N ATOM 921 CA LYS B 610 1.115 -12.908 -3.372 1.00 0.00 C ATOM 922 C LYS B 610 1.643 -11.686 -2.615 1.00 0.00 C ATOM 923 O LYS B 610 1.789 -10.600 -3.185 1.00 0.00 O ATOM 924 CB LYS B 610 2.288 -13.752 -3.885 1.00 0.00 C ATOM 925 CG LYS B 610 3.154 -13.053 -4.911 1.00 0.00 C ATOM 926 CD LYS B 610 4.435 -13.827 -5.166 1.00 0.00 C ATOM 927 CE LYS B 610 5.310 -13.127 -6.184 1.00 0.00 C ATOM 928 NZ LYS B 610 6.636 -13.781 -6.317 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.512 -11.694 -4.986 1.00 0.00 H new ATOM 0 HA LYS B 610 0.525 -13.507 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS B 610 2.910 -14.042 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS B 610 1.896 -14.671 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.601 -12.943 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.396 -12.049 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.984 -13.944 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.192 -14.829 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS B 610 4.809 -13.123 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS B 610 5.446 -12.086 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 7.205 -13.272 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 7.126 -13.763 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.508 -14.767 -6.621 1.00 0.00 H new ATOM 942 N ILE B 611 1.903 -11.884 -1.321 1.00 0.00 N ATOM 943 CA ILE B 611 2.459 -10.849 -0.446 1.00 0.00 C ATOM 944 C ILE B 611 3.982 -10.921 -0.440 1.00 0.00 C ATOM 945 O ILE B 611 4.566 -11.997 -0.575 1.00 0.00 O ATOM 946 CB ILE B 611 1.962 -11.037 1.010 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.440 -10.920 1.088 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.614 -10.048 1.962 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.076 -9.525 1.387 1.00 0.00 C ATOM 0 H ILE B 611 1.733 -12.772 -0.848 1.00 0.00 H new ATOM 0 HA ILE B 611 2.129 -9.883 -0.828 1.00 0.00 H new ATOM 0 HB ILE B 611 2.253 -12.041 1.320 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.015 -11.254 0.142 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.076 -11.600 1.859 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.238 -10.213 2.972 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.695 -10.189 1.949 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.377 -9.031 1.649 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.165 -9.540 1.423 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.314 -9.191 2.348 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.252 -8.840 0.605 1.00 0.00 H new ATOM 961 N ASP B 612 4.614 -9.777 -0.267 1.00 0.00 N ATOM 962 CA ASP B 612 6.066 -9.707 -0.144 1.00 0.00 C ATOM 963 C ASP B 612 6.439 -8.845 1.056 1.00 0.00 C ATOM 964 O ASP B 612 5.588 -8.145 1.610 1.00 0.00 O ATOM 965 CB ASP B 612 6.695 -9.113 -1.399 1.00 0.00 C ATOM 966 CG ASP B 612 8.100 -9.633 -1.644 1.00 0.00 C ATOM 967 OD1 ASP B 612 9.036 -9.188 -0.954 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 8.275 -10.510 -2.520 1.00 0.00 O ATOM 0 H ASP B 612 4.145 -8.873 -0.207 1.00 0.00 H new ATOM 0 HA ASP B 612 6.443 -10.721 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.069 -9.345 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.723 -8.027 -1.309 1.00 0.00 H new ATOM 973 N SER B 613 7.704 -8.883 1.444 1.00 0.00 N ATOM 974 CA SER B 613 8.176 -8.127 2.589 1.00 0.00 C ATOM 975 C SER B 613 9.434 -7.336 2.229 1.00 0.00 C ATOM 976 O SER B 613 10.456 -7.911 1.848 1.00 0.00 O ATOM 977 CB SER B 613 8.454 -9.077 3.759 1.00 0.00 C ATOM 978 OG SER B 613 9.366 -10.098 3.385 1.00 0.00 O ATOM 0 H SER B 613 8.425 -9.434 0.978 1.00 0.00 H new ATOM 0 HA SER B 613 7.404 -7.418 2.886 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.859 -8.514 4.600 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.520 -9.526 4.096 1.00 0.00 H new ATOM 0 HG SER B 613 9.977 -9.756 2.699 1.00 0.00 H new ATOM 984 N SER B 614 9.354 -6.015 2.319 1.00 0.00 N ATOM 985 CA SER B 614 10.509 -5.169 2.048 1.00 0.00 C ATOM 986 C SER B 614 10.554 -3.991 3.023 1.00 0.00 C ATOM 987 O SER B 614 9.642 -3.168 3.062 1.00 0.00 O ATOM 988 CB SER B 614 10.467 -4.676 0.599 1.00 0.00 C ATOM 989 OG SER B 614 10.221 -5.749 -0.293 1.00 0.00 O ATOM 0 H SER B 614 8.507 -5.508 2.576 1.00 0.00 H new ATOM 0 HA SER B 614 11.417 -5.756 2.189 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.688 -3.921 0.490 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.413 -4.197 0.346 1.00 0.00 H new ATOM 0 HG SER B 614 9.489 -5.510 -0.899 1.00 0.00 H new ATOM 995 N THR B 615 11.614 -3.926 3.819 1.00 0.00 N ATOM 996 CA THR B 615 11.749 -2.899 4.846 1.00 0.00 C ATOM 997 C THR B 615 12.279 -1.589 4.274 1.00 0.00 C ATOM 998 O THR B 615 13.372 -1.548 3.717 1.00 0.00 O ATOM 999 CB THR B 615 12.686 -3.374 5.974 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.159 -4.566 6.575 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.866 -2.292 7.033 1.00 0.00 C ATOM 0 H THR B 615 12.398 -4.577 3.773 1.00 0.00 H new ATOM 0 HA THR B 615 10.751 -2.722 5.248 1.00 0.00 H new ATOM 0 HB THR B 615 13.663 -3.587 5.539 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.759 -4.865 7.290 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.532 -2.656 7.816 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.297 -1.402 6.574 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.898 -2.043 7.467 1.00 0.00 H new ATOM 1009 N VAL B 616 11.493 -0.523 4.398 1.00 0.00 N ATOM 1010 CA VAL B 616 11.949 0.800 4.017 1.00 0.00 C ATOM 1011 C VAL B 616 13.146 1.233 4.863 1.00 0.00 C ATOM 1012 O VAL B 616 13.050 1.373 6.084 1.00 0.00 O ATOM 1013 CB VAL B 616 10.815 1.847 4.108 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.954 1.640 5.335 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.376 3.257 4.109 1.00 0.00 C ATOM 0 H VAL B 616 10.540 -0.555 4.759 1.00 0.00 H new ATOM 0 HA VAL B 616 12.264 0.743 2.975 1.00 0.00 H new ATOM 0 HB VAL B 616 10.189 1.712 3.226 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.170 2.396 5.361 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.502 0.649 5.299 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.570 1.725 6.230 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.558 3.974 4.174 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.039 3.384 4.965 1.00 0.00 H new ATOM 0 HG23 VAL B 616 11.935 3.427 3.189 1.00 0.00 H new ATOM 1025 N GLU B 617 14.273 1.405 4.197 1.00 0.00 N ATOM 1026 CA GLU B 617 15.498 1.848 4.828 1.00 0.00 C ATOM 1027 C GLU B 617 15.636 3.361 4.765 1.00 0.00 C ATOM 1028 O GLU B 617 16.359 3.960 5.562 1.00 0.00 O ATOM 1029 CB GLU B 617 16.677 1.206 4.121 1.00 0.00 C ATOM 1030 CG GLU B 617 16.636 -0.303 4.164 1.00 0.00 C ATOM 1031 CD GLU B 617 17.081 -0.856 5.498 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.237 -0.987 6.405 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.284 -1.157 5.645 1.00 0.00 O ATOM 0 H GLU B 617 14.362 1.239 3.195 1.00 0.00 H new ATOM 0 HA GLU B 617 15.474 1.552 5.877 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.694 1.535 3.082 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.603 1.553 4.580 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.622 -0.642 3.954 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.275 -0.703 3.377 1.00 0.00 H new ATOM 1040 N ARG B 618 14.943 3.981 3.820 1.00 0.00 N ATOM 1041 CA ARG B 618 15.083 5.412 3.614 1.00 0.00 C ATOM 1042 C ARG B 618 13.885 5.972 2.853 1.00 0.00 C ATOM 1043 O ARG B 618 13.277 5.276 2.039 1.00 0.00 O ATOM 1044 CB ARG B 618 16.383 5.685 2.850 1.00 0.00 C ATOM 1045 CG ARG B 618 16.740 7.156 2.712 1.00 0.00 C ATOM 1046 CD ARG B 618 18.012 7.342 1.897 1.00 0.00 C ATOM 1047 NE ARG B 618 19.163 6.671 2.504 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.294 6.387 1.854 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.433 6.718 0.575 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.287 5.775 2.486 1.00 0.00 N ATOM 0 H ARG B 618 14.286 3.520 3.191 1.00 0.00 H new ATOM 0 HA ARG B 618 15.121 5.910 4.583 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.201 5.172 3.356 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.302 5.250 1.854 1.00 0.00 H new ATOM 0 HG2 ARG B 618 15.918 7.689 2.234 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.872 7.595 3.701 1.00 0.00 H new ATOM 0 HD2 ARG B 618 17.856 6.953 0.891 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.225 8.406 1.798 1.00 0.00 H new ATOM 0 HE ARG B 618 19.097 6.403 3.486 1.00 0.00 H new ATOM 0 HH11 ARG B 618 19.674 7.191 0.085 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.299 6.499 0.083 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.186 5.521 3.469 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.151 5.558 1.989 1.00 0.00 H new ATOM 1064 N ILE B 619 13.551 7.224 3.131 1.00 0.00 N ATOM 1065 CA ILE B 619 12.435 7.899 2.482 1.00 0.00 C ATOM 1066 C ILE B 619 12.858 9.293 2.053 1.00 0.00 C ATOM 1067 O ILE B 619 13.061 10.174 2.887 1.00 0.00 O ATOM 1068 CB ILE B 619 11.210 7.997 3.413 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.635 6.609 3.660 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.146 8.913 2.814 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.572 6.577 4.733 1.00 0.00 C ATOM 0 H ILE B 619 14.045 7.801 3.812 1.00 0.00 H new ATOM 0 HA ILE B 619 12.151 7.310 1.610 1.00 0.00 H new ATOM 0 HB ILE B 619 11.529 8.424 4.363 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.212 6.229 2.730 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.444 5.935 3.941 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.291 8.967 3.488 1.00 0.00 H new ATOM 0 HG22 ILE B 619 10.562 9.911 2.674 1.00 0.00 H new ATOM 0 HG23 ILE B 619 9.824 8.516 1.851 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.208 5.557 4.855 1.00 0.00 H new ATOM 0 HD12 ILE B 619 9.995 6.926 5.675 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.744 7.225 4.445 1.00 0.00 H new ATOM 1083 N GLU B 620 12.987 9.487 0.758 1.00 0.00 N ATOM 1084 CA GLU B 620 13.493 10.746 0.237 1.00 0.00 C ATOM 1085 C GLU B 620 12.410 11.509 -0.508 1.00 0.00 C ATOM 1086 O GLU B 620 11.682 10.941 -1.325 1.00 0.00 O ATOM 1087 CB GLU B 620 14.685 10.499 -0.676 1.00 0.00 C ATOM 1088 CG GLU B 620 15.827 9.810 0.036 1.00 0.00 C ATOM 1089 CD GLU B 620 16.621 10.750 0.918 1.00 0.00 C ATOM 1090 OE1 GLU B 620 16.221 10.968 2.080 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.655 11.274 0.456 1.00 0.00 O ATOM 0 H GLU B 620 12.751 8.795 0.047 1.00 0.00 H new ATOM 0 HA GLU B 620 13.814 11.354 1.083 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.369 9.890 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.033 11.450 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU B 620 15.432 8.996 0.644 1.00 0.00 H new ATOM 0 HG3 GLU B 620 16.493 9.363 -0.702 1.00 0.00 H new ATOM 1098 N ASP B 621 12.304 12.795 -0.216 1.00 0.00 N ATOM 1099 CA ASP B 621 11.338 13.653 -0.885 1.00 0.00 C ATOM 1100 C ASP B 621 11.858 14.075 -2.246 1.00 0.00 C ATOM 1101 O ASP B 621 12.959 14.619 -2.360 1.00 0.00 O ATOM 1102 CB ASP B 621 11.026 14.893 -0.046 1.00 0.00 C ATOM 1103 CG ASP B 621 10.086 14.604 1.104 1.00 0.00 C ATOM 1104 OD1 ASP B 621 10.559 14.197 2.182 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 8.861 14.791 0.935 1.00 0.00 O ATOM 0 H ASP B 621 12.877 13.270 0.482 1.00 0.00 H new ATOM 0 HA ASP B 621 10.419 13.081 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP B 621 11.956 15.304 0.346 1.00 0.00 H new ATOM 0 HB3 ASP B 621 10.585 15.657 -0.686 1.00 0.00 H new ATOM 1110 N SER B 622 11.066 13.829 -3.269 1.00 0.00 N ATOM 1111 CA SER B 622 11.435 14.181 -4.624 1.00 0.00 C ATOM 1112 C SER B 622 10.729 15.473 -5.011 1.00 0.00 C ATOM 1113 O SER B 622 9.574 15.683 -4.648 1.00 0.00 O ATOM 1114 CB SER B 622 11.047 13.044 -5.574 1.00 0.00 C ATOM 1115 OG SER B 622 11.595 13.228 -6.869 1.00 0.00 O ATOM 0 H SER B 622 10.153 13.382 -3.185 1.00 0.00 H new ATOM 0 HA SER B 622 12.512 14.333 -4.692 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.393 12.095 -5.165 1.00 0.00 H new ATOM 0 HB3 SER B 622 9.961 12.984 -5.644 1.00 0.00 H new ATOM 0 HG SER B 622 11.690 12.358 -7.311 1.00 0.00 H new ATOM 1121 N HIS B 623 11.428 16.343 -5.735 1.00 0.00 N ATOM 1122 CA HIS B 623 10.876 17.640 -6.123 1.00 0.00 C ATOM 1123 C HIS B 623 9.750 17.461 -7.131 1.00 0.00 C ATOM 1124 O HIS B 623 8.983 18.389 -7.394 1.00 0.00 O ATOM 1125 CB HIS B 623 11.974 18.542 -6.695 1.00 0.00 C ATOM 1126 CG HIS B 623 11.554 19.973 -6.850 1.00 0.00 C ATOM 1127 ND1 HIS B 623 11.453 20.843 -5.788 1.00 0.00 N ATOM 1128 CD2 HIS B 623 11.201 20.682 -7.950 1.00 0.00 C ATOM 1129 CE1 HIS B 623 11.052 22.023 -6.223 1.00 0.00 C ATOM 1130 NE2 HIS B 623 10.893 21.952 -7.530 1.00 0.00 N ATOM 0 H HIS B 623 12.378 16.174 -6.065 1.00 0.00 H new ATOM 0 HA HIS B 623 10.467 18.120 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS B 623 12.846 18.497 -6.043 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.281 18.155 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS B 623 11.168 20.316 -8.966 1.00 0.00 H new ATOM 0 HE1 HIS B 623 10.883 22.898 -5.612 1.00 0.00 H new ATOM 0 HE2 HIS B 623 10.590 22.718 -8.132 1.00 0.00 H new ATOM 1139 N SER B 624 9.673 16.271 -7.702 1.00 0.00 N ATOM 1140 CA SER B 624 8.535 15.883 -8.502 1.00 0.00 C ATOM 1141 C SER B 624 7.271 15.998 -7.649 1.00 0.00 C ATOM 1142 O SER B 624 7.257 15.572 -6.493 1.00 0.00 O ATOM 1143 CB SER B 624 8.736 14.456 -9.002 1.00 0.00 C ATOM 1144 OG SER B 624 9.990 14.324 -9.651 1.00 0.00 O ATOM 0 H SER B 624 10.395 15.555 -7.622 1.00 0.00 H new ATOM 0 HA SER B 624 8.432 16.537 -9.368 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.679 13.761 -8.165 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.934 14.191 -9.691 1.00 0.00 H new ATOM 0 HG SER B 624 10.101 13.402 -9.963 1.00 0.00 H new ATOM 1150 N PRO B 625 6.212 16.604 -8.203 1.00 0.00 N ATOM 1151 CA PRO B 625 4.993 16.924 -7.452 1.00 0.00 C ATOM 1152 C PRO B 625 4.405 15.745 -6.691 1.00 0.00 C ATOM 1153 O PRO B 625 3.879 14.798 -7.284 1.00 0.00 O ATOM 1154 CB PRO B 625 4.019 17.411 -8.510 1.00 0.00 C ATOM 1155 CG PRO B 625 4.849 17.811 -9.683 1.00 0.00 C ATOM 1156 CD PRO B 625 6.129 17.026 -9.609 1.00 0.00 C ATOM 0 HA PRO B 625 5.209 17.659 -6.677 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.314 16.626 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.433 18.253 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.323 17.603 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.052 18.882 -9.663 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.110 16.169 -10.282 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.987 17.635 -9.893 1.00 0.00 H new ATOM 1164 N GLY B 626 4.488 15.837 -5.368 1.00 0.00 N ATOM 1165 CA GLY B 626 3.922 14.831 -4.499 1.00 0.00 C ATOM 1166 C GLY B 626 4.627 13.499 -4.609 1.00 0.00 C ATOM 1167 O GLY B 626 4.001 12.457 -4.469 1.00 0.00 O ATOM 0 H GLY B 626 4.946 16.606 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY B 626 3.971 15.179 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY B 626 2.867 14.700 -4.741 1.00 0.00 H new ATOM 1171 N VAL B 627 5.926 13.524 -4.857 1.00 0.00 N ATOM 1172 CA VAL B 627 6.678 12.294 -5.055 1.00 0.00 C ATOM 1173 C VAL B 627 7.673 12.051 -3.929 1.00 0.00 C ATOM 1174 O VAL B 627 8.389 12.960 -3.506 1.00 0.00 O ATOM 1175 CB VAL B 627 7.432 12.308 -6.399 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.184 11.006 -6.622 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.472 12.563 -7.540 1.00 0.00 C ATOM 0 H VAL B 627 6.480 14.377 -4.926 1.00 0.00 H new ATOM 0 HA VAL B 627 5.948 11.484 -5.059 1.00 0.00 H new ATOM 0 HB VAL B 627 8.162 13.117 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.706 11.046 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL B 627 8.907 10.862 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.479 10.175 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.020 12.570 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.718 11.776 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL B 627 5.985 13.527 -7.397 1.00 0.00 H new ATOM 1187 N ALA B 628 7.702 10.821 -3.448 1.00 0.00 N ATOM 1188 CA ALA B 628 8.684 10.397 -2.470 1.00 0.00 C ATOM 1189 C ALA B 628 9.140 8.987 -2.786 1.00 0.00 C ATOM 1190 O ALA B 628 8.324 8.098 -3.035 1.00 0.00 O ATOM 1191 CB ALA B 628 8.117 10.469 -1.062 1.00 0.00 C ATOM 0 H ALA B 628 7.046 10.090 -3.725 1.00 0.00 H new ATOM 0 HA ALA B 628 9.539 11.071 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA B 628 8.874 10.146 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA B 628 7.824 11.495 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.246 9.818 -0.987 1.00 0.00 H new ATOM 1197 N VAL B 629 10.441 8.789 -2.796 1.00 0.00 N ATOM 1198 CA VAL B 629 11.001 7.483 -3.074 1.00 0.00 C ATOM 1199 C VAL B 629 11.246 6.734 -1.786 1.00 0.00 C ATOM 1200 O VAL B 629 12.007 7.175 -0.917 1.00 0.00 O ATOM 1201 CB VAL B 629 12.299 7.565 -3.909 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.092 8.786 -3.515 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.143 6.301 -3.755 1.00 0.00 C ATOM 0 H VAL B 629 11.132 9.517 -2.615 1.00 0.00 H new ATOM 0 HA VAL B 629 10.271 6.938 -3.673 1.00 0.00 H new ATOM 0 HB VAL B 629 12.021 7.648 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.005 8.834 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.495 9.681 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.350 8.727 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.048 6.392 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.414 6.170 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.570 5.437 -4.092 1.00 0.00 H new ATOM 1213 N ILE B 630 10.561 5.623 -1.654 1.00 0.00 N ATOM 1214 CA ILE B 630 10.734 4.763 -0.518 1.00 0.00 C ATOM 1215 C ILE B 630 11.759 3.696 -0.865 1.00 0.00 C ATOM 1216 O ILE B 630 11.496 2.815 -1.681 1.00 0.00 O ATOM 1217 CB ILE B 630 9.414 4.096 -0.108 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.250 5.081 -0.205 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.531 3.571 1.306 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.374 6.258 0.731 1.00 0.00 C ATOM 0 H ILE B 630 9.872 5.295 -2.331 1.00 0.00 H new ATOM 0 HA ILE B 630 11.077 5.364 0.324 1.00 0.00 H new ATOM 0 HB ILE B 630 9.216 3.269 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.180 5.448 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.320 4.554 0.009 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.593 3.097 1.597 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.338 2.840 1.357 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.746 4.397 1.984 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.513 6.914 0.607 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.413 5.902 1.760 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.286 6.810 0.503 1.00 0.00 H new ATOM 1232 N GLN B 631 12.934 3.803 -0.282 1.00 0.00 N ATOM 1233 CA GLN B 631 14.007 2.875 -0.579 1.00 0.00 C ATOM 1234 C GLN B 631 13.931 1.679 0.355 1.00 0.00 C ATOM 1235 O GLN B 631 14.149 1.810 1.557 1.00 0.00 O ATOM 1236 CB GLN B 631 15.359 3.577 -0.459 1.00 0.00 C ATOM 1237 CG GLN B 631 16.539 2.694 -0.821 1.00 0.00 C ATOM 1238 CD GLN B 631 17.848 3.457 -0.847 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.529 3.573 0.170 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.209 3.978 -2.009 1.00 0.00 N ATOM 0 H GLN B 631 13.172 4.523 0.400 1.00 0.00 H new ATOM 0 HA GLN B 631 13.899 2.519 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.361 4.455 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.484 3.934 0.563 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.612 1.878 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.365 2.243 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.614 3.858 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.082 4.500 -2.085 1.00 0.00 H new ATOM 1249 N PHE B 632 13.608 0.521 -0.203 1.00 0.00 N ATOM 1250 CA PHE B 632 13.396 -0.687 0.588 1.00 0.00 C ATOM 1251 C PHE B 632 14.570 -1.638 0.480 1.00 0.00 C ATOM 1252 O PHE B 632 15.271 -1.654 -0.522 1.00 0.00 O ATOM 1253 CB PHE B 632 12.155 -1.437 0.111 1.00 0.00 C ATOM 1254 CG PHE B 632 10.880 -0.655 0.157 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.134 -0.603 1.316 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.410 -0.006 -0.969 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.946 0.089 1.354 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.216 0.683 -0.940 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.481 0.730 0.225 1.00 0.00 C ATOM 0 H PHE B 632 13.486 0.390 -1.207 1.00 0.00 H new ATOM 0 HA PHE B 632 13.276 -0.362 1.621 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.322 -1.769 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE B 632 12.035 -2.333 0.720 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.486 -1.110 2.202 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.985 -0.039 -1.883 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.376 0.130 2.270 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.858 1.184 -1.827 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.544 1.267 0.254 1.00 0.00 H new ATOM 1269 N ALA B 633 14.762 -2.427 1.521 1.00 0.00 N ATOM 1270 CA ALA B 633 15.666 -3.560 1.481 1.00 0.00 C ATOM 1271 C ALA B 633 14.841 -4.837 1.410 1.00 0.00 C ATOM 1272 O ALA B 633 14.241 -5.261 2.400 1.00 0.00 O ATOM 1273 CB ALA B 633 16.572 -3.570 2.697 1.00 0.00 C ATOM 0 H ALA B 633 14.295 -2.300 2.419 1.00 0.00 H new ATOM 0 HA ALA B 633 16.305 -3.488 0.601 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.241 -4.429 2.645 1.00 0.00 H new ATOM 0 HB2 ALA B 633 17.160 -2.653 2.720 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.967 -3.636 3.601 1.00 0.00 H new ATOM 1279 N VAL B 634 14.785 -5.423 0.230 1.00 0.00 N ATOM 1280 CA VAL B 634 13.904 -6.548 -0.026 1.00 0.00 C ATOM 1281 C VAL B 634 14.584 -7.879 0.276 1.00 0.00 C ATOM 1282 O VAL B 634 15.681 -8.158 -0.221 1.00 0.00 O ATOM 1283 CB VAL B 634 13.434 -6.555 -1.491 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.370 -7.618 -1.713 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.925 -5.180 -1.904 1.00 0.00 C ATOM 0 H VAL B 634 15.344 -5.136 -0.574 1.00 0.00 H new ATOM 0 HA VAL B 634 13.047 -6.430 0.637 1.00 0.00 H new ATOM 0 HB VAL B 634 14.290 -6.799 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.053 -7.604 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.780 -8.599 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.513 -7.415 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.598 -5.210 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.086 -4.896 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.726 -4.448 -1.796 1.00 0.00 H new ATOM 1295 N GLY B 635 13.928 -8.685 1.100 1.00 0.00 N ATOM 1296 CA GLY B 635 14.378 -10.040 1.340 1.00 0.00 C ATOM 1297 C GLY B 635 15.574 -10.121 2.263 1.00 0.00 C ATOM 1298 O GLY B 635 16.029 -9.113 2.810 1.00 0.00 O ATOM 0 H GLY B 635 13.085 -8.421 1.610 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.558 -10.617 1.768 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.631 -10.505 0.387 1.00 0.00 H new ATOM 1302 N GLU B 636 16.090 -11.330 2.425 1.00 0.00 N ATOM 1303 CA GLU B 636 17.234 -11.578 3.284 1.00 0.00 C ATOM 1304 C GLU B 636 18.510 -11.062 2.635 1.00 0.00 C ATOM 1305 O GLU B 636 19.507 -10.809 3.308 1.00 0.00 O ATOM 1306 CB GLU B 636 17.370 -13.071 3.584 1.00 0.00 C ATOM 1307 CG GLU B 636 16.219 -13.663 4.388 1.00 0.00 C ATOM 1308 CD GLU B 636 14.960 -13.876 3.571 1.00 0.00 C ATOM 1309 OE1 GLU B 636 14.846 -14.935 2.918 1.00 0.00 O ATOM 1310 OE2 GLU B 636 14.074 -12.998 3.587 1.00 0.00 O1- ATOM 0 H GLU B 636 15.727 -12.165 1.965 1.00 0.00 H new ATOM 0 HA GLU B 636 17.075 -11.046 4.222 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.453 -13.612 2.641 1.00 0.00 H new ATOM 0 HB3 GLU B 636 18.299 -13.236 4.129 1.00 0.00 H new ATOM 0 HG2 GLU B 636 16.534 -14.617 4.811 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.993 -13.002 5.225 1.00 0.00 H new ATOM 1317 N HIS B 637 18.468 -10.899 1.319 1.00 0.00 N ATOM 1318 CA HIS B 637 19.607 -10.375 0.580 1.00 0.00 C ATOM 1319 C HIS B 637 19.617 -8.846 0.640 1.00 0.00 C ATOM 1320 O HIS B 637 20.485 -8.185 0.068 1.00 0.00 O ATOM 1321 CB HIS B 637 19.570 -10.861 -0.876 1.00 0.00 C ATOM 1322 CG HIS B 637 20.819 -10.565 -1.649 1.00 0.00 C ATOM 1323 ND1 HIS B 637 20.815 -10.032 -2.921 1.00 0.00 N ATOM 1324 CD2 HIS B 637 22.120 -10.735 -1.321 1.00 0.00 C ATOM 1325 CE1 HIS B 637 22.059 -9.888 -3.338 1.00 0.00 C ATOM 1326 NE2 HIS B 637 22.870 -10.305 -2.385 1.00 0.00 N ATOM 0 H HIS B 637 17.657 -11.122 0.742 1.00 0.00 H new ATOM 0 HA HIS B 637 20.524 -10.745 1.040 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.396 -11.937 -0.885 1.00 0.00 H new ATOM 0 HB3 HIS B 637 18.723 -10.397 -1.382 1.00 0.00 H new ATOM 0 HD1 HIS B 637 19.981 -9.787 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS B 637 22.498 -11.136 -0.392 1.00 0.00 H new ATOM 0 HE1 HIS B 637 22.362 -9.495 -4.297 1.00 0.00 H new ATOM 1335 N ARG B 638 18.614 -8.320 1.368 1.00 0.00 N ATOM 1336 CA ARG B 638 18.442 -6.891 1.664 1.00 0.00 C ATOM 1337 C ARG B 638 18.751 -6.005 0.471 1.00 0.00 C ATOM 1338 O ARG B 638 19.440 -4.991 0.588 1.00 0.00 O ATOM 1339 CB ARG B 638 19.262 -6.476 2.886 1.00 0.00 C ATOM 1340 CG ARG B 638 20.721 -6.858 2.805 1.00 0.00 C ATOM 1341 CD ARG B 638 21.552 -6.134 3.846 1.00 0.00 C ATOM 1342 NE ARG B 638 22.968 -6.481 3.746 1.00 0.00 N ATOM 1343 CZ ARG B 638 23.919 -5.948 4.507 1.00 0.00 C ATOM 1344 NH1 ARG B 638 23.609 -5.048 5.434 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 25.183 -6.315 4.336 1.00 0.00 N ATOM 0 H ARG B 638 17.880 -8.898 1.777 1.00 0.00 H new ATOM 0 HA ARG B 638 17.387 -6.747 1.896 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.186 -5.396 3.012 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.826 -6.932 3.775 1.00 0.00 H new ATOM 0 HG2 ARG B 638 20.823 -7.934 2.943 1.00 0.00 H new ATOM 0 HG3 ARG B 638 21.102 -6.627 1.810 1.00 0.00 H new ATOM 0 HD2 ARG B 638 21.432 -5.058 3.723 1.00 0.00 H new ATOM 0 HD3 ARG B 638 21.186 -6.384 4.842 1.00 0.00 H new ATOM 0 HE ARG B 638 23.243 -7.174 3.050 1.00 0.00 H new ATOM 0 HH11 ARG B 638 22.638 -4.763 5.564 1.00 0.00 H new ATOM 0 HH12 ARG B 638 24.342 -4.642 6.016 1.00 0.00 H new ATOM 0 HH21 ARG B 638 25.422 -7.004 3.623 1.00 0.00 H new ATOM 0 HH22 ARG B 638 25.915 -5.908 4.918 1.00 0.00 H new ATOM 1359 N ALA B 639 18.203 -6.387 -0.663 1.00 0.00 N ATOM 1360 CA ALA B 639 18.415 -5.661 -1.902 1.00 0.00 C ATOM 1361 C ALA B 639 17.628 -4.364 -1.883 1.00 0.00 C ATOM 1362 O ALA B 639 16.409 -4.372 -1.699 1.00 0.00 O ATOM 1363 CB ALA B 639 18.011 -6.520 -3.085 1.00 0.00 C ATOM 0 H ALA B 639 17.601 -7.205 -0.755 1.00 0.00 H new ATOM 0 HA ALA B 639 19.474 -5.420 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.174 -5.966 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.612 -7.429 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.957 -6.783 -3.001 1.00 0.00 H new ATOM 1369 N GLN B 640 18.318 -3.255 -2.061 1.00 0.00 N ATOM 1370 CA GLN B 640 17.689 -1.957 -1.917 1.00 0.00 C ATOM 1371 C GLN B 640 17.107 -1.459 -3.227 1.00 0.00 C ATOM 1372 O GLN B 640 17.797 -1.357 -4.243 1.00 0.00 O ATOM 1373 CB GLN B 640 18.659 -0.944 -1.323 1.00 0.00 C ATOM 1374 CG GLN B 640 19.077 -1.307 0.087 1.00 0.00 C ATOM 1375 CD GLN B 640 19.744 -0.165 0.815 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.958 0.019 0.728 1.00 0.00 O ATOM 1377 NE2 GLN B 640 18.962 0.595 1.562 1.00 0.00 N ATOM 0 H GLN B 640 19.308 -3.226 -2.304 1.00 0.00 H new ATOM 0 HA GLN B 640 16.857 -2.075 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.544 -0.877 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.194 0.042 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.200 -1.627 0.650 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.759 -2.156 0.051 1.00 0.00 H new ATOM 0 HE21 GLN B 640 17.960 0.408 1.606 1.00 0.00 H new ATOM 0 HE22 GLN B 640 19.360 1.369 2.094 1.00 0.00 H new ATOM 1386 N VAL B 641 15.822 -1.156 -3.178 1.00 0.00 N ATOM 1387 CA VAL B 641 15.083 -0.683 -4.337 1.00 0.00 C ATOM 1388 C VAL B 641 14.688 0.773 -4.155 1.00 0.00 C ATOM 1389 O VAL B 641 14.175 1.157 -3.104 1.00 0.00 O ATOM 1390 CB VAL B 641 13.808 -1.522 -4.572 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.041 -1.027 -5.789 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.156 -2.989 -4.729 1.00 0.00 C ATOM 0 H VAL B 641 15.259 -1.231 -2.331 1.00 0.00 H new ATOM 0 HA VAL B 641 15.737 -0.784 -5.203 1.00 0.00 H new ATOM 0 HB VAL B 641 13.167 -1.407 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.148 -1.637 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.750 0.013 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.674 -1.102 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.244 -3.564 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL B 641 14.824 -3.115 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.651 -3.344 -3.825 1.00 0.00 H new ATOM 1402 N SER B 642 14.937 1.574 -5.175 1.00 0.00 N ATOM 1403 CA SER B 642 14.571 2.978 -5.149 1.00 0.00 C ATOM 1404 C SER B 642 13.364 3.216 -6.054 1.00 0.00 C ATOM 1405 O SER B 642 13.479 3.186 -7.279 1.00 0.00 O ATOM 1406 CB SER B 642 15.759 3.831 -5.602 1.00 0.00 C ATOM 1407 OG SER B 642 16.931 3.510 -4.863 1.00 0.00 O ATOM 0 H SER B 642 15.394 1.274 -6.036 1.00 0.00 H new ATOM 0 HA SER B 642 14.304 3.264 -4.132 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.941 3.672 -6.665 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.522 4.887 -5.474 1.00 0.00 H new ATOM 0 HG SER B 642 17.676 4.067 -5.172 1.00 0.00 H new ATOM 1413 N VAL B 643 12.201 3.420 -5.452 1.00 0.00 N ATOM 1414 CA VAL B 643 10.986 3.642 -6.210 1.00 0.00 C ATOM 1415 C VAL B 643 10.304 4.944 -5.779 1.00 0.00 C ATOM 1416 O VAL B 643 9.975 5.132 -4.606 1.00 0.00 O ATOM 1417 CB VAL B 643 10.026 2.439 -6.049 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.822 2.088 -4.581 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.696 2.718 -6.717 1.00 0.00 C ATOM 0 H VAL B 643 12.077 3.436 -4.440 1.00 0.00 H new ATOM 0 HA VAL B 643 11.249 3.735 -7.264 1.00 0.00 H new ATOM 0 HB VAL B 643 10.486 1.581 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.143 1.239 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.781 1.829 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.396 2.944 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.038 1.858 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.237 3.596 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL B 643 8.854 2.901 -7.780 1.00 0.00 H new ATOM 1429 N GLU B 644 10.106 5.844 -6.735 1.00 0.00 N ATOM 1430 CA GLU B 644 9.466 7.127 -6.472 1.00 0.00 C ATOM 1431 C GLU B 644 7.953 7.018 -6.656 1.00 0.00 C ATOM 1432 O GLU B 644 7.455 6.993 -7.783 1.00 0.00 O ATOM 1433 CB GLU B 644 10.025 8.196 -7.415 1.00 0.00 C ATOM 1434 CG GLU B 644 11.473 8.563 -7.135 1.00 0.00 C ATOM 1435 CD GLU B 644 12.034 9.551 -8.136 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.394 9.128 -9.252 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 12.124 10.757 -7.812 1.00 0.00 O ATOM 0 H GLU B 644 10.382 5.707 -7.707 1.00 0.00 H new ATOM 0 HA GLU B 644 9.675 7.412 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU B 644 9.942 7.841 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.411 9.093 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.548 8.986 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.081 7.658 -7.145 1.00 0.00 H new ATOM 1444 N VAL B 645 7.226 6.953 -5.552 1.00 0.00 N ATOM 1445 CA VAL B 645 5.787 6.865 -5.580 1.00 0.00 C ATOM 1446 C VAL B 645 5.189 8.202 -5.161 1.00 0.00 C ATOM 1447 O VAL B 645 5.845 8.989 -4.475 1.00 0.00 O ATOM 1448 CB VAL B 645 5.310 5.764 -4.615 1.00 0.00 C ATOM 1449 CG1 VAL B 645 3.810 5.767 -4.513 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.820 4.400 -5.055 1.00 0.00 C ATOM 0 H VAL B 645 7.624 6.960 -4.613 1.00 0.00 H new ATOM 0 HA VAL B 645 5.462 6.620 -6.591 1.00 0.00 H new ATOM 0 HB VAL B 645 5.721 5.973 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL B 645 3.490 4.983 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL B 645 3.473 6.734 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.378 5.586 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.470 3.639 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.446 4.177 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL B 645 6.910 4.406 -5.069 1.00 0.00 H new ATOM 1460 N LEU B 646 3.961 8.479 -5.584 1.00 0.00 N ATOM 1461 CA LEU B 646 3.283 9.666 -5.108 1.00 0.00 C ATOM 1462 C LEU B 646 2.884 9.482 -3.657 1.00 0.00 C ATOM 1463 O LEU B 646 2.419 8.415 -3.255 1.00 0.00 O ATOM 1464 CB LEU B 646 2.043 10.028 -5.931 1.00 0.00 C ATOM 1465 CG LEU B 646 2.300 10.402 -7.387 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.193 11.294 -7.918 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.634 11.089 -7.537 1.00 0.00 C ATOM 0 H LEU B 646 3.429 7.909 -6.241 1.00 0.00 H new ATOM 0 HA LEU B 646 3.989 10.490 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.355 9.183 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.538 10.863 -5.445 1.00 0.00 H new ATOM 0 HG LEU B 646 2.315 9.481 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.398 11.548 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.240 10.769 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.145 12.207 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.795 11.346 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.645 11.997 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.427 10.421 -7.201 1.00 0.00 H new ATOM 1479 N VAL B 647 3.050 10.539 -2.886 1.00 0.00 N ATOM 1480 CA VAL B 647 2.768 10.515 -1.455 1.00 0.00 C ATOM 1481 C VAL B 647 1.272 10.377 -1.187 1.00 0.00 C ATOM 1482 O VAL B 647 0.844 10.260 -0.040 1.00 0.00 O ATOM 1483 CB VAL B 647 3.293 11.787 -0.759 1.00 0.00 C ATOM 1484 CG1 VAL B 647 4.806 11.868 -0.867 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.643 13.031 -1.350 1.00 0.00 C ATOM 0 H VAL B 647 3.384 11.440 -3.229 1.00 0.00 H new ATOM 0 HA VAL B 647 3.284 9.647 -1.046 1.00 0.00 H new ATOM 0 HB VAL B 647 3.028 11.734 0.297 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.158 12.772 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.252 10.995 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.095 11.895 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.027 13.917 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.873 13.091 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.563 12.976 -1.215 1.00 0.00 H new ATOM 1495 N GLU B 648 0.489 10.393 -2.258 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.951 10.231 -2.165 1.00 0.00 C ATOM 1497 C GLU B 648 -1.297 8.772 -1.923 1.00 0.00 C ATOM 1498 O GLU B 648 -2.362 8.453 -1.389 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.618 10.687 -3.459 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.070 11.984 -4.019 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.844 12.460 -5.228 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.684 11.869 -6.317 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.608 13.438 -5.096 1.00 0.00 O1- ATOM 0 H GLU B 648 0.835 10.518 -3.210 1.00 0.00 H new ATOM 0 HA GLU B 648 -1.311 10.838 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -1.504 9.904 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -2.687 10.804 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -1.100 12.752 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -0.024 11.846 -4.291 1.00 0.00 H new ATOM 1510 N TYR B 649 -0.392 7.890 -2.331 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.628 6.467 -2.266 1.00 0.00 C ATOM 1512 C TYR B 649 -0.378 5.923 -0.872 1.00 0.00 C ATOM 1513 O TYR B 649 0.710 6.078 -0.312 1.00 0.00 O ATOM 1514 CB TYR B 649 0.241 5.745 -3.290 1.00 0.00 C ATOM 1515 CG TYR B 649 -0.258 5.930 -4.699 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -1.297 5.152 -5.192 1.00 0.00 C ATOM 1517 CD2 TYR B 649 0.290 6.895 -5.528 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -1.776 5.333 -6.472 1.00 0.00 C ATOM 1519 CE2 TYR B 649 -0.180 7.080 -6.812 1.00 0.00 C ATOM 1520 CZ TYR B 649 -1.216 6.299 -7.278 1.00 0.00 C ATOM 1521 OH TYR B 649 -1.698 6.486 -8.553 1.00 0.00 O ATOM 0 H TYR B 649 0.518 8.147 -2.713 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.677 6.288 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.264 6.114 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR B 649 0.268 4.681 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -1.737 4.393 -4.563 1.00 0.00 H new ATOM 0 HD2 TYR B 649 1.098 7.512 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -2.586 4.721 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR B 649 0.261 7.833 -7.449 1.00 0.00 H new ATOM 0 HH TYR B 649 -1.196 7.206 -8.990 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.399 5.283 -0.297 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.287 4.645 0.995 1.00 0.00 C ATOM 1533 C PRO B 650 -0.601 3.289 0.888 1.00 0.00 C ATOM 1534 O PRO B 650 -1.005 2.436 0.103 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.736 4.499 1.459 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.593 4.612 0.241 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.739 5.129 -0.881 1.00 0.00 C ATOM 0 HA PRO B 650 -0.679 5.220 1.693 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.889 3.539 1.952 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.990 5.273 2.183 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.016 3.642 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.430 5.286 0.425 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.726 4.434 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -3.117 6.079 -1.259 1.00 0.00 H new ATOM 1545 N PHE B 651 0.444 3.103 1.673 1.00 0.00 N ATOM 1546 CA PHE B 651 1.212 1.874 1.651 1.00 0.00 C ATOM 1547 C PHE B 651 0.689 0.886 2.681 1.00 0.00 C ATOM 1548 O PHE B 651 0.658 1.174 3.882 1.00 0.00 O ATOM 1549 CB PHE B 651 2.693 2.161 1.915 1.00 0.00 C ATOM 1550 CG PHE B 651 3.432 2.710 0.727 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.078 3.927 0.169 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.484 2.003 0.168 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.760 4.429 -0.923 1.00 0.00 C ATOM 1554 CE2 PHE B 651 5.170 2.499 -0.923 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.808 3.713 -1.470 1.00 0.00 C ATOM 0 H PHE B 651 0.782 3.796 2.340 1.00 0.00 H new ATOM 0 HA PHE B 651 1.105 1.433 0.660 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.774 2.870 2.739 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.179 1.240 2.238 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.259 4.490 0.592 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.771 1.052 0.591 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.474 5.380 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.989 1.937 -1.348 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.342 4.103 -2.324 1.00 0.00 H new ATOM 1565 N PHE B 652 0.260 -0.270 2.207 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.097 -1.355 3.097 1.00 0.00 C ATOM 1567 C PHE B 652 1.174 -1.974 3.640 1.00 0.00 C ATOM 1568 O PHE B 652 2.018 -2.447 2.878 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.938 -2.407 2.381 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.269 -2.613 3.032 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.354 -3.248 4.255 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.428 -2.152 2.435 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.571 -3.426 4.873 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.652 -2.324 3.050 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.723 -2.963 4.271 1.00 0.00 C ATOM 0 H PHE B 652 0.151 -0.479 1.215 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.700 -0.961 3.915 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.087 -2.105 1.344 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.395 -3.352 2.363 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.455 -3.609 4.732 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.375 -1.653 1.479 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.624 -3.928 5.828 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.552 -1.959 2.577 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.679 -3.101 4.755 1.00 0.00 H new ATOM 1585 N VAL B 653 1.333 -1.950 4.949 1.00 0.00 N ATOM 1586 CA VAL B 653 2.582 -2.367 5.535 1.00 0.00 C ATOM 1587 C VAL B 653 2.449 -3.731 6.226 1.00 0.00 C ATOM 1588 O VAL B 653 1.496 -3.977 6.963 1.00 0.00 O ATOM 1589 CB VAL B 653 3.115 -1.313 6.524 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.611 -1.422 6.635 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.752 0.100 6.106 1.00 0.00 C ATOM 0 H VAL B 653 0.621 -1.650 5.615 1.00 0.00 H new ATOM 0 HA VAL B 653 3.302 -2.468 4.723 1.00 0.00 H new ATOM 0 HB VAL B 653 2.647 -1.512 7.488 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.979 -0.673 7.336 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.878 -2.416 6.993 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.062 -1.255 5.657 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.149 0.808 6.833 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.178 0.310 5.125 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.667 0.198 6.059 1.00 0.00 H new ATOM 1601 N PHE B 654 3.446 -4.583 5.977 1.00 0.00 N ATOM 1602 CA PHE B 654 3.475 -6.002 6.366 1.00 0.00 C ATOM 1603 C PHE B 654 3.428 -6.224 7.882 1.00 0.00 C ATOM 1604 O PHE B 654 4.432 -6.589 8.486 1.00 0.00 O ATOM 1605 CB PHE B 654 4.763 -6.635 5.785 1.00 0.00 C ATOM 1606 CG PHE B 654 4.845 -8.129 5.950 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.927 -8.959 5.327 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.844 -8.703 6.722 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.002 -10.331 5.472 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.923 -10.074 6.870 1.00 0.00 C ATOM 1611 CZ PHE B 654 5.001 -10.889 6.244 1.00 0.00 C ATOM 0 H PHE B 654 4.289 -4.296 5.480 1.00 0.00 H new ATOM 0 HA PHE B 654 2.578 -6.473 5.965 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.826 -6.394 4.724 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.628 -6.179 6.267 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.144 -8.528 4.721 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.569 -8.071 7.213 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.279 -10.966 4.982 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.705 -10.508 7.475 1.00 0.00 H new ATOM 0 HZ PHE B 654 5.061 -11.961 6.358 1.00 0.00 H new ATOM 1621 N GLY B 655 2.269 -6.024 8.489 1.00 0.00 N ATOM 1622 CA GLY B 655 2.144 -6.241 9.920 1.00 0.00 C ATOM 1623 C GLY B 655 2.258 -4.955 10.717 1.00 0.00 C ATOM 1624 O GLY B 655 2.065 -4.949 11.933 1.00 0.00 O ATOM 0 H GLY B 655 1.415 -5.717 8.022 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.183 -6.710 10.130 1.00 0.00 H new ATOM 0 HA3 GLY B 655 2.917 -6.937 10.247 1.00 0.00 H new ATOM 1628 N GLN B 656 2.569 -3.861 10.036 1.00 0.00 N ATOM 1629 CA GLN B 656 2.809 -2.587 10.709 1.00 0.00 C ATOM 1630 C GLN B 656 1.518 -1.776 10.769 1.00 0.00 C ATOM 1631 O GLN B 656 1.259 -1.087 11.754 1.00 0.00 O ATOM 1632 CB GLN B 656 3.915 -1.778 10.003 1.00 0.00 C ATOM 1633 CG GLN B 656 5.308 -2.404 10.019 1.00 0.00 C ATOM 1634 CD GLN B 656 5.333 -3.807 9.468 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.347 -3.901 8.151 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.294 -4.780 10.213 1.00 0.00 N flip ATOM 0 H GLN B 656 2.661 -3.827 9.021 1.00 0.00 H new ATOM 0 HA GLN B 656 3.147 -2.799 11.723 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.619 -1.622 8.966 1.00 0.00 H new ATOM 0 HB3 GLN B 656 3.974 -0.794 10.469 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.987 -1.780 9.438 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.683 -2.415 11.042 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.285 -4.648 11.224 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.271 -5.722 9.821 1.00 0.00 H new ATOM 1645 N GLY B 657 0.704 -1.865 9.716 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.582 -1.192 9.725 1.00 0.00 C ATOM 1647 C GLY B 657 -1.003 -0.665 8.365 1.00 0.00 C ATOM 1648 O GLY B 657 -0.338 -0.912 7.355 1.00 0.00 O ATOM 0 H GLY B 657 0.912 -2.387 8.865 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.342 -1.884 10.088 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.543 -0.362 10.431 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.121 0.054 8.354 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.653 0.673 7.146 1.00 0.00 C ATOM 1654 C TRP B 658 -2.149 2.119 7.074 1.00 0.00 C ATOM 1655 O TRP B 658 -2.728 3.024 7.681 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.193 0.607 7.179 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.906 0.993 5.913 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.240 1.267 5.814 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.371 1.140 4.583 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.569 1.569 4.521 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.447 1.502 3.748 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.100 1.004 4.009 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.292 1.729 2.389 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.954 1.232 2.657 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.042 1.589 1.864 1.00 0.00 C ATOM 0 H TRP B 658 -2.685 0.224 9.186 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.314 0.145 6.255 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.486 -0.410 7.439 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.546 1.255 7.981 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.936 1.248 6.639 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.504 1.806 4.188 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.250 0.726 4.615 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.131 2.007 1.769 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -1.978 1.132 2.205 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.892 1.759 0.808 1.00 0.00 H new ATOM 1676 N SER B 659 -1.067 2.326 6.333 1.00 0.00 N ATOM 1677 CA SER B 659 -0.313 3.571 6.404 1.00 0.00 C ATOM 1678 C SER B 659 -0.207 4.260 5.045 1.00 0.00 C ATOM 1679 O SER B 659 -0.593 3.703 4.028 1.00 0.00 O ATOM 1680 CB SER B 659 1.085 3.276 6.956 1.00 0.00 C ATOM 1681 OG SER B 659 1.013 2.702 8.251 1.00 0.00 O ATOM 0 H SER B 659 -0.691 1.645 5.674 1.00 0.00 H new ATOM 0 HA SER B 659 -0.845 4.254 7.066 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.609 2.598 6.283 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.666 4.198 6.995 1.00 0.00 H new ATOM 0 HG SER B 659 1.918 2.522 8.580 1.00 0.00 H new ATOM 1687 N SER B 660 0.271 5.500 5.056 1.00 0.00 N ATOM 1688 CA SER B 660 0.534 6.253 3.837 1.00 0.00 C ATOM 1689 C SER B 660 1.755 7.143 4.022 1.00 0.00 C ATOM 1690 O SER B 660 2.083 7.533 5.145 1.00 0.00 O ATOM 1691 CB SER B 660 -0.680 7.112 3.467 1.00 0.00 C ATOM 1692 OG SER B 660 -0.408 7.932 2.342 1.00 0.00 O ATOM 0 H SER B 660 0.487 6.011 5.912 1.00 0.00 H new ATOM 0 HA SER B 660 0.726 5.546 3.030 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.532 6.467 3.252 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.959 7.736 4.316 1.00 0.00 H new ATOM 0 HG SER B 660 -1.199 8.470 2.131 1.00 0.00 H new ATOM 1698 N CYS B 661 2.424 7.451 2.914 1.00 0.00 N ATOM 1699 CA CYS B 661 3.579 8.341 2.925 1.00 0.00 C ATOM 1700 C CYS B 661 3.148 9.765 3.229 1.00 0.00 C ATOM 1701 O CYS B 661 3.974 10.632 3.518 1.00 0.00 O ATOM 1702 CB CYS B 661 4.297 8.288 1.579 1.00 0.00 C ATOM 1703 SG CYS B 661 5.002 6.671 1.197 1.00 0.00 S ATOM 0 H CYS B 661 2.182 7.093 1.990 1.00 0.00 H new ATOM 0 HA CYS B 661 4.264 8.010 3.705 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.595 8.564 0.792 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.093 9.033 1.572 1.00 0.00 H new ATOM 0 HG CYS B 661 4.151 5.981 0.498 1.00 0.00 H new ATOM 1709 N CYS B 662 1.848 9.997 3.153 1.00 0.00 N ATOM 1710 CA CYS B 662 1.279 11.274 3.514 1.00 0.00 C ATOM 1711 C CYS B 662 -0.184 11.084 3.867 1.00 0.00 C ATOM 1712 O CYS B 662 -1.072 11.346 3.053 1.00 0.00 O ATOM 1713 CB CYS B 662 1.433 12.288 2.378 1.00 0.00 C ATOM 1714 SG CYS B 662 0.892 13.963 2.797 1.00 0.00 S ATOM 0 H CYS B 662 1.165 9.307 2.841 1.00 0.00 H new ATOM 0 HA CYS B 662 1.813 11.669 4.378 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.480 12.322 2.076 1.00 0.00 H new ATOM 0 HB3 CYS B 662 0.864 11.940 1.516 1.00 0.00 H new ATOM 0 HG CYS B 662 1.065 14.744 1.772 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.453 10.604 5.095 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.816 10.389 5.574 1.00 0.00 C ATOM 1722 C PRO B 663 -2.632 11.659 5.469 1.00 0.00 C ATOM 1723 O PRO B 663 -3.838 11.620 5.245 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.632 10.003 7.038 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.245 9.472 7.124 1.00 0.00 C ATOM 1726 CD PRO B 663 0.552 10.243 6.111 1.00 0.00 C ATOM 0 HA PRO B 663 -2.346 9.633 4.994 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.767 10.864 7.693 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.362 9.253 7.343 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.163 9.605 8.126 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.221 8.404 6.909 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.015 11.126 6.551 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.355 9.640 5.687 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.942 12.780 5.622 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.538 14.086 5.456 1.00 0.00 C ATOM 1736 C GLU B 664 -3.257 14.173 4.120 1.00 0.00 C ATOM 1737 O GLU B 664 -4.471 14.287 4.076 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.458 15.161 5.529 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.695 15.165 6.843 1.00 0.00 C ATOM 1740 CD GLU B 664 -1.578 15.503 8.026 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -2.266 14.598 8.542 1.00 0.00 O1- ATOM 1742 OE2 GLU B 664 -1.591 16.680 8.441 1.00 0.00 O ATOM 0 H GLU B 664 -0.952 12.803 5.865 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.261 14.244 6.256 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.754 15.014 4.710 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.918 16.138 5.382 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.243 14.186 7.000 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.120 15.887 6.784 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.498 14.069 3.038 1.00 0.00 N ATOM 1750 CA ARG B 665 -3.043 14.225 1.694 1.00 0.00 C ATOM 1751 C ARG B 665 -4.022 13.101 1.355 1.00 0.00 C ATOM 1752 O ARG B 665 -5.065 13.348 0.749 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.900 14.273 0.677 1.00 0.00 C ATOM 1754 CG ARG B 665 -2.336 14.552 -0.744 1.00 0.00 C ATOM 1755 CD ARG B 665 -1.137 14.797 -1.644 1.00 0.00 C ATOM 1756 NE ARG B 665 -1.522 14.994 -3.041 1.00 0.00 N ATOM 1757 CZ ARG B 665 -1.066 15.976 -3.816 1.00 0.00 C ATOM 1758 NH1 ARG B 665 -0.236 16.891 -3.328 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -1.445 16.035 -5.085 1.00 0.00 N ATOM 0 H ARG B 665 -1.497 13.876 3.064 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.598 15.162 1.653 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -1.190 15.041 0.983 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.369 13.321 0.701 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.913 13.709 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.993 15.422 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.595 15.674 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.454 13.951 -1.574 1.00 0.00 H new ATOM 0 HE ARG B 665 -2.185 14.335 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG B 665 0.057 16.845 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG B 665 0.108 17.640 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -2.081 15.332 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -1.101 16.784 -5.686 1.00 0.00 H new ATOM 1773 N THR B 666 -3.702 11.875 1.758 1.00 0.00 N ATOM 1774 CA THR B 666 -4.584 10.746 1.481 1.00 0.00 C ATOM 1775 C THR B 666 -5.947 10.949 2.159 1.00 0.00 C ATOM 1776 O THR B 666 -6.993 10.720 1.551 1.00 0.00 O ATOM 1777 CB THR B 666 -3.958 9.402 1.921 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.604 9.325 1.449 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.747 8.220 1.361 1.00 0.00 C ATOM 0 H THR B 666 -2.852 11.640 2.270 1.00 0.00 H new ATOM 0 HA THR B 666 -4.727 10.703 0.401 1.00 0.00 H new ATOM 0 HB THR B 666 -3.982 9.356 3.010 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.599 9.017 0.519 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.285 7.288 1.686 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.774 8.263 1.725 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.746 8.265 0.272 1.00 0.00 H new ATOM 1787 N SER B 667 -5.936 11.415 3.404 1.00 0.00 N ATOM 1788 CA SER B 667 -7.165 11.706 4.120 1.00 0.00 C ATOM 1789 C SER B 667 -7.799 13.017 3.644 1.00 0.00 C ATOM 1790 O SER B 667 -9.019 13.136 3.578 1.00 0.00 O ATOM 1791 CB SER B 667 -6.874 11.769 5.612 1.00 0.00 C ATOM 1792 OG SER B 667 -6.441 10.509 6.091 1.00 0.00 O ATOM 0 H SER B 667 -5.085 11.598 3.936 1.00 0.00 H new ATOM 0 HA SER B 667 -7.880 10.908 3.918 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.109 12.520 5.807 1.00 0.00 H new ATOM 0 HB3 SER B 667 -7.770 12.080 6.150 1.00 0.00 H new ATOM 0 HG SER B 667 -6.511 9.845 5.374 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.965 13.996 3.330 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.423 15.283 2.823 1.00 0.00 C ATOM 1800 C GLN B 668 -8.277 15.161 1.573 1.00 0.00 C ATOM 1801 O GLN B 668 -9.386 15.690 1.507 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.227 16.138 2.512 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.780 16.940 3.700 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.888 17.779 4.303 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.111 18.918 3.896 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -7.574 17.233 5.293 1.00 0.00 N ATOM 0 H GLN B 668 -5.952 13.922 3.419 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.045 15.731 3.598 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.407 15.504 2.174 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.468 16.812 1.690 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.389 16.264 4.461 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.960 17.593 3.402 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -7.358 16.285 5.601 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -8.319 17.760 5.748 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.759 14.447 0.591 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.364 14.431 -0.727 1.00 0.00 C ATOM 1817 C LEU B 669 -9.315 13.253 -0.881 1.00 0.00 C ATOM 1818 O LEU B 669 -10.410 13.388 -1.424 1.00 0.00 O ATOM 1819 CB LEU B 669 -7.271 14.359 -1.794 1.00 0.00 C ATOM 1820 CG LEU B 669 -6.029 15.213 -1.511 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -5.002 15.045 -2.616 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.396 16.682 -1.336 1.00 0.00 C ATOM 0 H LEU B 669 -6.922 13.871 0.681 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.938 15.349 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.961 13.320 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.696 14.669 -2.749 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.590 14.866 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -4.128 15.659 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.704 13.999 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.436 15.357 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.494 17.261 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.870 17.050 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.087 16.787 -0.500 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.892 12.101 -0.387 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.631 10.864 -0.597 1.00 0.00 C ATOM 1836 C PHE B 670 -10.440 10.500 0.639 1.00 0.00 C ATOM 1837 O PHE B 670 -11.148 9.489 0.654 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.652 9.740 -0.944 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.652 10.140 -1.990 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -8.061 10.540 -3.251 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.300 10.123 -1.702 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.134 10.918 -4.207 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.369 10.495 -2.650 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.787 10.895 -3.906 1.00 0.00 C ATOM 0 H PHE B 670 -8.040 11.995 0.163 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.328 11.005 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.123 9.434 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.211 8.873 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.114 10.557 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.968 9.814 -0.722 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.464 11.230 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.316 10.474 -2.412 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.061 11.189 -4.650 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.315 11.335 1.672 1.00 0.00 N ATOM 1855 CA ASP B 671 -11.002 11.138 2.953 1.00 0.00 C ATOM 1856 C ASP B 671 -10.640 9.803 3.590 1.00 0.00 C ATOM 1857 O ASP B 671 -11.318 9.339 4.503 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.520 11.256 2.793 1.00 0.00 C ATOM 1859 CG ASP B 671 -13.002 12.692 2.837 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.924 13.388 1.805 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.469 13.131 3.913 1.00 0.00 O ATOM 0 H ASP B 671 -9.732 12.171 1.645 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.662 11.931 3.620 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.818 10.806 1.846 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -13.010 10.688 3.584 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.557 9.201 3.121 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.141 7.900 3.607 1.00 0.00 C ATOM 1868 C LEU B 672 -8.036 8.034 4.653 1.00 0.00 C ATOM 1869 O LEU B 672 -6.933 8.485 4.345 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.660 7.021 2.449 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.098 5.667 2.882 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.209 4.786 3.428 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.376 4.978 1.735 1.00 0.00 C ATOM 0 H LEU B 672 -8.951 9.597 2.402 1.00 0.00 H new ATOM 0 HA LEU B 672 -10.004 7.427 4.075 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.492 6.854 1.764 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.892 7.560 1.893 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.369 5.839 3.674 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.795 3.825 3.733 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.669 5.272 4.288 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.961 4.628 2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.988 4.018 2.074 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.072 4.818 0.911 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.551 5.604 1.396 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.331 7.671 5.912 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.351 7.674 7.003 1.00 0.00 C ATOM 1887 C PRO B 673 -6.194 6.719 6.764 1.00 0.00 C ATOM 1888 O PRO B 673 -6.377 5.622 6.230 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.173 7.182 8.190 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.552 7.569 7.852 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.654 7.256 6.403 1.00 0.00 C ATOM 0 HA PRO B 673 -6.893 8.655 7.130 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -8.081 6.104 8.320 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -7.846 7.644 9.121 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -10.281 7.008 8.436 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -9.732 8.626 8.048 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.842 6.197 6.226 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.461 7.808 5.921 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.005 7.139 7.158 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.837 6.283 7.092 1.00 0.00 C ATOM 1901 C CYS B 674 -2.892 6.610 8.234 1.00 0.00 C ATOM 1902 O CYS B 674 -2.831 7.750 8.691 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.103 6.462 5.760 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.172 6.430 4.304 1.00 0.00 S ATOM 0 H CYS B 674 -4.824 8.072 7.528 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.169 5.248 7.173 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.566 7.411 5.780 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.355 5.675 5.663 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.321 5.911 4.621 1.00 0.00 H new ATOM 1910 N SER B 675 -2.190 5.604 8.714 1.00 0.00 N ATOM 1911 CA SER B 675 -1.107 5.813 9.658 1.00 0.00 C ATOM 1912 C SER B 675 0.108 6.317 8.889 1.00 0.00 C ATOM 1913 O SER B 675 0.160 6.186 7.673 1.00 0.00 O ATOM 1914 CB SER B 675 -0.793 4.502 10.379 1.00 0.00 C ATOM 1915 OG SER B 675 -1.966 3.947 10.951 1.00 0.00 O ATOM 0 H SER B 675 -2.350 4.628 8.465 1.00 0.00 H new ATOM 0 HA SER B 675 -1.389 6.550 10.409 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.354 3.792 9.678 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.052 4.679 11.158 1.00 0.00 H new ATOM 0 HG SER B 675 -1.743 3.108 11.406 1.00 0.00 H new ATOM 1921 N LYS B 676 1.066 6.926 9.561 1.00 0.00 N ATOM 1922 CA LYS B 676 2.225 7.443 8.855 1.00 0.00 C ATOM 1923 C LYS B 676 3.178 6.324 8.472 1.00 0.00 C ATOM 1924 O LYS B 676 3.752 5.658 9.333 1.00 0.00 O ATOM 1925 CB LYS B 676 2.974 8.493 9.671 1.00 0.00 C ATOM 1926 CG LYS B 676 4.196 9.039 8.942 1.00 0.00 C ATOM 1927 CD LYS B 676 3.811 9.651 7.599 1.00 0.00 C ATOM 1928 CE LYS B 676 5.005 10.264 6.884 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.505 11.480 7.578 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.069 7.073 10.570 1.00 0.00 H new ATOM 0 HA LYS B 676 1.848 7.920 7.950 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.298 9.315 9.906 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.286 8.056 10.619 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.685 9.792 9.560 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.917 8.237 8.785 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.365 8.883 6.966 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.051 10.416 7.755 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.806 9.528 6.820 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.724 10.519 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.215 11.952 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.713 12.130 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.937 11.209 8.484 1.00 0.00 H new ATOM 1943 N LEU B 677 3.336 6.124 7.174 1.00 0.00 N ATOM 1944 CA LEU B 677 4.319 5.190 6.670 1.00 0.00 C ATOM 1945 C LEU B 677 5.694 5.829 6.798 1.00 0.00 C ATOM 1946 O LEU B 677 5.929 6.927 6.290 1.00 0.00 O ATOM 1947 CB LEU B 677 4.002 4.804 5.211 1.00 0.00 C ATOM 1948 CG LEU B 677 4.943 3.782 4.545 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.219 4.439 4.036 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.275 2.656 5.512 1.00 0.00 C ATOM 0 H LEU B 677 2.793 6.599 6.452 1.00 0.00 H new ATOM 0 HA LEU B 677 4.298 4.268 7.251 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.988 4.405 5.177 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.007 5.713 4.610 1.00 0.00 H new ATOM 0 HG LEU B 677 4.420 3.366 3.684 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.856 3.686 3.573 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.967 5.203 3.300 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.749 4.900 4.870 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.941 1.943 5.025 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.766 3.067 6.394 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.357 2.150 5.810 1.00 0.00 H new ATOM 1962 N SER B 678 6.581 5.171 7.520 1.00 0.00 N ATOM 1963 CA SER B 678 7.912 5.700 7.749 1.00 0.00 C ATOM 1964 C SER B 678 8.972 4.615 7.617 1.00 0.00 C ATOM 1965 O SER B 678 8.663 3.424 7.583 1.00 0.00 O ATOM 1966 CB SER B 678 7.986 6.330 9.139 1.00 0.00 C ATOM 1967 OG SER B 678 6.946 7.277 9.320 1.00 0.00 O ATOM 0 H SER B 678 6.403 4.267 7.959 1.00 0.00 H new ATOM 0 HA SER B 678 8.109 6.458 6.991 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.912 5.553 9.900 1.00 0.00 H new ATOM 0 HB3 SER B 678 8.953 6.815 9.272 1.00 0.00 H new ATOM 0 HG SER B 678 7.011 7.667 10.217 1.00 0.00 H new ATOM 1973 N VAL B 679 10.220 5.051 7.527 1.00 0.00 N ATOM 1974 CA VAL B 679 11.356 4.160 7.444 1.00 0.00 C ATOM 1975 C VAL B 679 11.393 3.205 8.640 1.00 0.00 C ATOM 1976 O VAL B 679 11.200 3.612 9.787 1.00 0.00 O ATOM 1977 CB VAL B 679 12.661 4.981 7.318 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.673 6.147 8.294 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.892 4.111 7.502 1.00 0.00 C ATOM 0 H VAL B 679 10.469 6.040 7.510 1.00 0.00 H new ATOM 0 HA VAL B 679 11.259 3.543 6.551 1.00 0.00 H new ATOM 0 HB VAL B 679 12.691 5.385 6.306 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.602 6.705 8.182 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.828 6.804 8.087 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.597 5.769 9.314 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.788 4.724 7.406 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.869 3.653 8.491 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.903 3.331 6.741 1.00 0.00 H new ATOM 1989 N GLY B 680 11.630 1.932 8.348 1.00 0.00 N ATOM 1990 CA GLY B 680 11.520 0.892 9.349 1.00 0.00 C ATOM 1991 C GLY B 680 10.361 -0.049 9.079 1.00 0.00 C ATOM 1992 O GLY B 680 10.365 -1.192 9.535 1.00 0.00 O ATOM 0 H GLY B 680 11.900 1.600 7.422 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.448 0.321 9.380 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.393 1.348 10.331 1.00 0.00 H new ATOM 1996 N ASP B 681 9.375 0.421 8.324 1.00 0.00 N ATOM 1997 CA ASP B 681 8.159 -0.356 8.095 1.00 0.00 C ATOM 1998 C ASP B 681 8.295 -1.253 6.863 1.00 0.00 C ATOM 1999 O ASP B 681 8.481 -0.768 5.752 1.00 0.00 O ATOM 2000 CB ASP B 681 6.937 0.564 7.924 1.00 0.00 C ATOM 2001 CG ASP B 681 6.617 1.393 9.156 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.850 0.912 10.286 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.108 2.528 9.003 1.00 0.00 O ATOM 0 H ASP B 681 9.391 1.330 7.862 1.00 0.00 H new ATOM 0 HA ASP B 681 8.012 -0.984 8.973 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.113 1.234 7.082 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.069 -0.044 7.671 1.00 0.00 H new ATOM 2008 N VAL B 682 8.191 -2.564 7.046 1.00 0.00 N ATOM 2009 CA VAL B 682 8.242 -3.477 5.911 1.00 0.00 C ATOM 2010 C VAL B 682 6.969 -3.377 5.083 1.00 0.00 C ATOM 2011 O VAL B 682 5.919 -3.801 5.514 1.00 0.00 O ATOM 2012 CB VAL B 682 8.496 -4.952 6.332 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.877 -5.278 7.661 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.029 -5.924 5.266 1.00 0.00 C ATOM 0 H VAL B 682 8.073 -3.013 7.954 1.00 0.00 H new ATOM 0 HA VAL B 682 9.093 -3.169 5.304 1.00 0.00 H new ATOM 0 HB VAL B 682 9.575 -5.063 6.441 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.081 -6.319 7.912 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.300 -4.630 8.428 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.799 -5.122 7.608 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.222 -6.945 5.595 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.960 -5.793 5.098 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.568 -5.733 4.338 1.00 0.00 H new ATOM 2024 N CYS B 683 7.065 -2.805 3.895 1.00 0.00 N ATOM 2025 CA CYS B 683 5.888 -2.612 3.063 1.00 0.00 C ATOM 2026 C CYS B 683 5.516 -3.890 2.335 1.00 0.00 C ATOM 2027 O CYS B 683 6.376 -4.710 1.999 1.00 0.00 O ATOM 2028 CB CYS B 683 6.100 -1.470 2.070 1.00 0.00 C ATOM 2029 SG CYS B 683 6.162 0.157 2.857 1.00 0.00 S ATOM 0 H CYS B 683 7.937 -2.468 3.487 1.00 0.00 H new ATOM 0 HA CYS B 683 5.060 -2.344 3.720 1.00 0.00 H new ATOM 0 HB2 CYS B 683 7.029 -1.639 1.525 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.294 -1.481 1.336 1.00 0.00 H new ATOM 0 HG CYS B 683 7.140 0.847 2.350 1.00 0.00 H new ATOM 2035 N ILE B 684 4.224 -4.053 2.125 1.00 0.00 N ATOM 2036 CA ILE B 684 3.689 -5.206 1.434 1.00 0.00 C ATOM 2037 C ILE B 684 3.767 -5.000 -0.071 1.00 0.00 C ATOM 2038 O ILE B 684 3.093 -4.124 -0.616 1.00 0.00 O ATOM 2039 CB ILE B 684 2.205 -5.432 1.815 1.00 0.00 C ATOM 2040 CG1 ILE B 684 2.066 -5.841 3.280 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.557 -6.469 0.909 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.629 -5.854 3.764 1.00 0.00 C ATOM 0 H ILE B 684 3.515 -3.386 2.431 1.00 0.00 H new ATOM 0 HA ILE B 684 4.281 -6.073 1.727 1.00 0.00 H new ATOM 0 HB ILE B 684 1.684 -4.485 1.676 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.497 -6.833 3.416 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.644 -5.155 3.898 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.516 -6.607 1.200 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.602 -6.128 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE B 684 2.088 -7.416 1.002 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.601 -6.153 4.812 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.201 -4.857 3.659 1.00 0.00 H new ATOM 0 HD13 ILE B 684 0.051 -6.561 3.169 1.00 0.00 H new ATOM 2054 N SER B 685 4.591 -5.775 -0.747 1.00 0.00 N ATOM 2055 CA SER B 685 4.554 -5.775 -2.193 1.00 0.00 C ATOM 2056 C SER B 685 3.558 -6.824 -2.637 1.00 0.00 C ATOM 2057 O SER B 685 3.708 -8.006 -2.331 1.00 0.00 O ATOM 2058 CB SER B 685 5.926 -6.068 -2.797 1.00 0.00 C ATOM 2059 OG SER B 685 5.951 -5.753 -4.182 1.00 0.00 O ATOM 0 H SER B 685 5.280 -6.400 -0.329 1.00 0.00 H new ATOM 0 HA SER B 685 4.257 -4.785 -2.540 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.688 -5.489 -2.275 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.172 -7.120 -2.655 1.00 0.00 H new ATOM 0 HG SER B 685 6.840 -5.947 -4.546 1.00 0.00 H new ATOM 2065 N LEU B 686 2.529 -6.394 -3.328 1.00 0.00 N ATOM 2066 CA LEU B 686 1.531 -7.308 -3.810 1.00 0.00 C ATOM 2067 C LEU B 686 1.791 -7.598 -5.273 1.00 0.00 C ATOM 2068 O LEU B 686 1.979 -6.680 -6.071 1.00 0.00 O ATOM 2069 CB LEU B 686 0.138 -6.712 -3.616 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.919 -7.679 -3.089 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.180 -8.797 -4.079 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.499 -8.249 -1.744 1.00 0.00 C ATOM 0 H LEU B 686 2.364 -5.416 -3.567 1.00 0.00 H new ATOM 0 HA LEU B 686 1.582 -8.240 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.214 -5.871 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.204 -6.311 -4.570 1.00 0.00 H new ATOM 0 HG LEU B 686 -1.846 -7.121 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.937 -9.470 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.533 -8.375 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.258 -9.351 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.265 -8.936 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.445 -8.783 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.375 -7.437 -1.027 1.00 0.00 H new ATOM 2084 N THR B 687 1.844 -8.863 -5.624 1.00 0.00 N ATOM 2085 CA THR B 687 2.076 -9.231 -6.997 1.00 0.00 C ATOM 2086 C THR B 687 0.765 -9.572 -7.685 1.00 0.00 C ATOM 2087 O THR B 687 0.067 -10.509 -7.296 1.00 0.00 O ATOM 2088 CB THR B 687 3.028 -10.432 -7.085 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.231 -10.156 -6.356 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.369 -10.755 -8.529 1.00 0.00 C ATOM 0 H THR B 687 1.730 -9.647 -4.981 1.00 0.00 H new ATOM 0 HA THR B 687 2.534 -8.379 -7.500 1.00 0.00 H new ATOM 0 HB THR B 687 2.526 -11.295 -6.649 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.999 -10.202 -6.963 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.045 -11.610 -8.561 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.456 -10.994 -9.074 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.852 -9.893 -8.990 1.00 0.00 H new ATOM 2098 N LEU B 688 0.439 -8.793 -8.700 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.727 -9.045 -9.522 1.00 0.00 C ATOM 2100 C LEU B 688 -0.305 -9.860 -10.736 1.00 0.00 C ATOM 2101 O LEU B 688 0.243 -9.317 -11.696 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.363 -7.720 -9.964 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.612 -7.265 -9.189 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -3.787 -8.176 -9.498 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.356 -7.214 -7.683 1.00 0.00 C ATOM 0 H LEU B 688 0.975 -7.970 -8.976 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.467 -9.601 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -0.609 -6.937 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -1.627 -7.804 -11.018 1.00 0.00 H new ATOM 0 HG LEU B 688 -2.853 -6.253 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -4.663 -7.841 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.001 -8.144 -10.566 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.542 -9.198 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.261 -6.888 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.075 -8.205 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.549 -6.512 -7.475 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.524 -11.163 -10.672 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.105 -12.061 -11.735 1.00 0.00 C ATOM 2119 C LYS B 689 -0.948 -11.856 -12.989 1.00 0.00 C ATOM 2120 O LYS B 689 -0.462 -11.198 -13.931 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.186 -13.508 -11.267 1.00 0.00 C ATOM 2122 CG LYS B 689 0.893 -13.892 -10.288 1.00 0.00 C ATOM 2123 CD LYS B 689 2.222 -14.048 -10.999 1.00 0.00 C ATOM 2124 CE LYS B 689 3.295 -14.483 -10.037 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.648 -14.479 -10.659 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -2.101 -12.337 -13.020 1.00 0.00 O ATOM 0 H LYS B 689 -0.992 -11.624 -9.891 1.00 0.00 H new ATOM 0 HA LYS B 689 0.931 -11.832 -11.986 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.159 -13.677 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.126 -14.165 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS B 689 0.976 -13.131 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS B 689 0.627 -14.826 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.127 -14.781 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS B 689 2.505 -13.103 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS B 689 3.294 -13.821 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS B 689 3.068 -15.485 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 5.353 -14.785 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.659 -15.131 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.878 -13.518 -10.984 1.00 0.00 H new TER 2140 LYS B 689