USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= 0.797 F(o=-4.7!,f=0.8) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= -0.379 USER MOD Set 2.2: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 PCA N :NH3+ 180:sc= -0.138 (180deg=-0.138) USER MOD Set 3.2: A 97 HIS :FLIP no HD1:sc= -0.527 F(o=-1.9,f=-0.67) USER MOD Single : A 7 GLN : amide:sc= -5.51! C(o=-5.5!,f=-5.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.536 F(o=-1.4,f=-0.54) USER MOD Single : A 12 THR OG1 : rot 120:sc= -2.54! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= -0.354 (180deg=-1.62!) USER MOD Single : A 23 MET CE :methyl 151:sc= -2.82 (180deg=-4.88!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -9.42! C(o=-9.4!,f=-18!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.852 (180deg=-1.61) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.201 (180deg=-0.962) USER MOD Single : A 50 ASN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 54 ASN : amide:sc= -2.32! C(o=-2.3!,f=-7.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 59 SER OG : rot 140:sc= 1.6 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-1.2) USER MOD Single : A 77 TYR OH : rot -65:sc= 0.00521! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 85 THR OG1 : rot -55:sc= 1.33 USER MOD Single : A 89 THR OG1 : rot -52:sc= 0.0383 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-0.79!,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.198 9.583 1.693 1.00 1.00 N HETATM 2 CA PCA A 1 -6.691 10.955 1.551 1.00 1.00 C HETATM 3 CB PCA A 1 -5.591 11.831 2.037 1.00 1.00 C HETATM 4 CG PCA A 1 -4.743 10.922 2.671 1.00 1.00 C HETATM 5 CD PCA A 1 -4.964 9.541 2.341 1.00 1.00 C HETATM 6 OE PCA A 1 -4.274 8.480 2.544 1.00 1.00 O HETATM 7 C PCA A 1 -7.038 11.262 0.103 1.00 1.00 C HETATM 8 O PCA A 1 -7.765 12.193 -0.178 1.00 1.00 O HETATM 0 H2 PCA A 1 -5.968 9.398 2.690 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.606 11.113 2.122 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.092 12.349 1.218 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -5.954 12.596 2.724 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -3.713 11.177 2.422 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.850 11.042 3.749 1.00 1.00 H new ATOM 15 N ASP A 2 -6.526 10.488 -0.811 1.00 1.00 N ATOM 16 CA ASP A 2 -6.819 10.721 -2.253 1.00 1.00 C ATOM 17 C ASP A 2 -6.317 9.516 -3.051 1.00 1.00 C ATOM 18 O ASP A 2 -5.194 9.086 -2.896 1.00 1.00 O ATOM 19 CB ASP A 2 -6.101 11.991 -2.728 1.00 1.00 C ATOM 20 CG ASP A 2 -6.960 13.218 -2.414 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.917 13.446 -3.136 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.646 13.909 -1.459 1.00 1.00 O ATOM 0 H ASP A 2 -5.911 9.697 -0.620 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.892 10.847 -2.401 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.132 12.078 -2.236 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.910 11.933 -3.800 1.00 1.00 H new ATOM 27 N TRP A 3 -7.139 8.961 -3.895 1.00 1.00 N ATOM 28 CA TRP A 3 -6.699 7.777 -4.685 1.00 1.00 C ATOM 29 C TRP A 3 -5.341 8.071 -5.328 1.00 1.00 C ATOM 30 O TRP A 3 -4.536 7.185 -5.528 1.00 1.00 O ATOM 31 CB TRP A 3 -7.749 7.471 -5.759 1.00 1.00 C ATOM 32 CG TRP A 3 -7.174 6.607 -6.844 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.374 6.813 -8.166 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.332 5.414 -6.739 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.705 5.837 -8.880 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.049 4.952 -8.049 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.786 4.693 -5.657 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.259 3.825 -8.275 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.991 3.558 -5.884 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.728 3.125 -7.191 1.00 1.00 C ATOM 0 H TRP A 3 -8.094 9.274 -4.072 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.596 6.909 -4.034 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.604 6.970 -5.305 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.117 8.403 -6.188 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.962 7.611 -8.594 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.697 5.778 -9.898 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.981 5.017 -4.645 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.059 3.496 -9.284 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.579 3.015 -5.046 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.116 2.251 -7.359 1.00 1.00 H new ATOM 51 N GLU A 4 -5.077 9.308 -5.645 1.00 1.00 N ATOM 52 CA GLU A 4 -3.767 9.651 -6.269 1.00 1.00 C ATOM 53 C GLU A 4 -2.636 9.313 -5.297 1.00 1.00 C ATOM 54 O GLU A 4 -1.985 8.298 -5.420 1.00 1.00 O ATOM 55 CB GLU A 4 -3.730 11.144 -6.598 1.00 1.00 C ATOM 56 CG GLU A 4 -4.886 11.490 -7.539 1.00 1.00 C ATOM 57 CD GLU A 4 -4.760 12.946 -7.990 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.676 13.493 -7.864 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.748 13.490 -8.453 1.00 1.00 O ATOM 0 H GLU A 4 -5.709 10.095 -5.500 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.641 9.077 -7.187 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.805 11.731 -5.682 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.779 11.401 -7.064 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.874 10.828 -8.405 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.839 11.336 -7.033 1.00 1.00 H new ATOM 66 N THR A 5 -2.394 10.150 -4.327 1.00 1.00 N ATOM 67 CA THR A 5 -1.301 9.854 -3.357 1.00 1.00 C ATOM 68 C THR A 5 -1.469 8.427 -2.842 1.00 1.00 C ATOM 69 O THR A 5 -0.539 7.647 -2.832 1.00 1.00 O ATOM 70 CB THR A 5 -1.362 10.836 -2.188 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.251 10.616 -1.331 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.661 10.635 -1.405 1.00 1.00 C ATOM 0 H THR A 5 -2.901 11.020 -4.164 1.00 1.00 H new ATOM 0 HA THR A 5 -0.335 9.956 -3.851 1.00 1.00 H new ATOM 0 HB THR A 5 -1.333 11.856 -2.572 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.287 11.246 -0.581 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.697 11.339 -0.573 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.513 10.807 -2.063 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.700 9.616 -1.020 1.00 1.00 H new ATOM 80 N PHE A 6 -2.654 8.073 -2.429 1.00 1.00 N ATOM 81 CA PHE A 6 -2.881 6.690 -1.935 1.00 1.00 C ATOM 82 C PHE A 6 -2.322 5.711 -2.966 1.00 1.00 C ATOM 83 O PHE A 6 -1.971 4.592 -2.656 1.00 1.00 O ATOM 84 CB PHE A 6 -4.385 6.455 -1.756 1.00 1.00 C ATOM 85 CG PHE A 6 -4.616 5.269 -0.849 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.643 5.443 0.541 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.806 3.995 -1.398 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.860 4.343 1.379 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.023 2.897 -0.560 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.050 3.069 0.828 1.00 1.00 C ATOM 0 H PHE A 6 -3.472 8.681 -2.413 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.383 6.543 -0.977 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.853 7.344 -1.333 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.852 6.279 -2.725 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.496 6.425 0.966 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.785 3.860 -2.469 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.881 4.476 2.451 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.170 1.915 -0.985 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.217 2.220 1.474 1.00 1.00 H new ATOM 100 N GLN A 7 -2.225 6.133 -4.197 1.00 1.00 N ATOM 101 CA GLN A 7 -1.675 5.238 -5.249 1.00 1.00 C ATOM 102 C GLN A 7 -0.161 5.442 -5.330 1.00 1.00 C ATOM 103 O GLN A 7 0.562 4.614 -5.849 1.00 1.00 O ATOM 104 CB GLN A 7 -2.314 5.579 -6.601 1.00 1.00 C ATOM 105 CG GLN A 7 -1.797 4.624 -7.679 1.00 1.00 C ATOM 106 CD GLN A 7 -0.435 5.104 -8.185 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.519 4.351 -8.207 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.303 6.335 -8.597 1.00 1.00 N ATOM 0 H GLN A 7 -2.504 7.060 -4.518 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.895 4.199 -5.003 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.399 5.506 -6.529 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.081 6.608 -6.873 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.710 3.616 -7.274 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.506 4.575 -8.505 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.103 6.967 -8.579 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.600 6.665 -8.937 1.00 1.00 H new ATOM 117 N LYS A 8 0.320 6.554 -4.839 1.00 1.00 N ATOM 118 CA LYS A 8 1.784 6.832 -4.908 1.00 1.00 C ATOM 119 C LYS A 8 2.508 6.300 -3.664 1.00 1.00 C ATOM 120 O LYS A 8 3.509 5.621 -3.765 1.00 1.00 O ATOM 121 CB LYS A 8 1.997 8.346 -5.003 1.00 1.00 C ATOM 122 CG LYS A 8 1.121 8.929 -6.122 1.00 1.00 C ATOM 123 CD LYS A 8 1.859 8.837 -7.459 1.00 1.00 C ATOM 124 CE LYS A 8 0.947 9.332 -8.582 1.00 1.00 C ATOM 125 NZ LYS A 8 1.583 9.054 -9.901 1.00 1.00 N ATOM 0 H LYS A 8 -0.239 7.282 -4.393 1.00 1.00 H new ATOM 0 HA LYS A 8 2.193 6.330 -5.785 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.748 8.817 -4.052 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.047 8.562 -5.201 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.178 8.385 -6.179 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.877 9.968 -5.901 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.769 9.435 -7.426 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.161 7.807 -7.649 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -0.022 8.837 -8.522 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.766 10.401 -8.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.962 9.391 -10.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.497 9.546 -9.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.734 8.030 -10.005 1.00 1.00 H new ATOM 139 N LYS A 9 2.035 6.632 -2.490 1.00 1.00 N ATOM 140 CA LYS A 9 2.729 6.172 -1.248 1.00 1.00 C ATOM 141 C LYS A 9 2.233 4.791 -0.804 1.00 1.00 C ATOM 142 O LYS A 9 3.018 3.918 -0.496 1.00 1.00 O ATOM 143 CB LYS A 9 2.475 7.185 -0.128 1.00 1.00 C ATOM 144 CG LYS A 9 0.995 7.164 0.263 1.00 1.00 C ATOM 145 CD LYS A 9 0.648 8.446 1.023 1.00 1.00 C ATOM 146 CE LYS A 9 -0.781 8.353 1.559 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.203 9.684 2.079 1.00 1.00 N ATOM 0 H LYS A 9 1.201 7.200 -2.337 1.00 1.00 H new ATOM 0 HA LYS A 9 3.795 6.096 -1.461 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.093 6.947 0.738 1.00 1.00 H new ATOM 0 HB3 LYS A 9 2.760 8.184 -0.457 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.374 7.078 -0.629 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.784 6.293 0.883 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.347 8.593 1.846 1.00 1.00 H new ATOM 0 HD3 LYS A 9 0.745 9.309 0.364 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.457 8.028 0.768 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.836 7.607 2.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.175 9.622 2.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.563 9.976 2.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.166 10.384 1.311 1.00 1.00 H new ATOM 161 N HIS A 10 0.947 4.584 -0.733 1.00 1.00 N ATOM 162 CA HIS A 10 0.440 3.258 -0.270 1.00 1.00 C ATOM 163 C HIS A 10 0.610 2.197 -1.361 1.00 1.00 C ATOM 164 O HIS A 10 0.454 1.028 -1.100 1.00 1.00 O ATOM 165 CB HIS A 10 -1.040 3.375 0.111 1.00 1.00 C ATOM 166 CG HIS A 10 -1.163 3.970 1.488 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.715 5.144 1.934 1.00 1.00 N flip ATOM 168 CD2 HIS A 10 -0.674 3.328 2.617 1.00 1.00 C flip ATOM 169 CE1 HIS A 10 -1.573 5.230 3.314 1.00 1.00 C flip ATOM 170 NE2 HIS A 10 -0.940 4.114 3.678 1.00 1.00 N flip ATOM 0 H HIS A 10 0.229 5.268 -0.973 1.00 1.00 H new ATOM 0 HA HIS A 10 1.020 2.952 0.601 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.564 3.999 -0.613 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.511 2.392 0.085 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.161 5.846 1.344 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -0.172 2.372 2.641 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.905 6.032 3.956 1.00 1.00 H new ATOM 179 N LEU A 11 0.926 2.581 -2.571 1.00 1.00 N ATOM 180 CA LEU A 11 1.100 1.560 -3.659 1.00 1.00 C ATOM 181 C LEU A 11 2.458 1.745 -4.335 1.00 1.00 C ATOM 182 O LEU A 11 3.034 2.814 -4.319 1.00 1.00 O ATOM 183 CB LEU A 11 -0.004 1.743 -4.711 1.00 1.00 C ATOM 184 CG LEU A 11 -1.138 0.741 -4.477 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.879 1.087 -3.182 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.116 0.803 -5.651 1.00 1.00 C ATOM 0 H LEU A 11 1.071 3.550 -2.856 1.00 1.00 H new ATOM 0 HA LEU A 11 1.041 0.563 -3.222 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.394 2.760 -4.665 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.411 1.606 -5.710 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.721 -0.263 -4.395 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.685 0.371 -3.021 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.184 1.046 -2.343 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.296 2.091 -3.259 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.925 0.091 -5.488 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.528 1.809 -5.729 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.593 0.553 -6.574 1.00 1.00 H new ATOM 198 N THR A 12 2.961 0.705 -4.950 1.00 1.00 N ATOM 199 CA THR A 12 4.273 0.813 -5.655 1.00 1.00 C ATOM 200 C THR A 12 4.182 0.074 -6.992 1.00 1.00 C ATOM 201 O THR A 12 3.108 -0.268 -7.444 1.00 1.00 O ATOM 202 CB THR A 12 5.386 0.205 -4.797 1.00 1.00 C ATOM 203 OG1 THR A 12 6.579 0.146 -5.564 1.00 1.00 O ATOM 204 CG2 THR A 12 4.999 -1.207 -4.342 1.00 1.00 C ATOM 0 H THR A 12 2.520 -0.214 -4.994 1.00 1.00 H new ATOM 0 HA THR A 12 4.506 1.863 -5.830 1.00 1.00 H new ATOM 0 HB THR A 12 5.538 0.826 -3.914 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.276 0.677 -5.126 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.800 -1.626 -3.733 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.082 -1.161 -3.754 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.839 -1.839 -5.215 1.00 1.00 H new ATOM 212 N ASP A 13 5.296 -0.159 -7.641 1.00 1.00 N ATOM 213 CA ASP A 13 5.258 -0.858 -8.963 1.00 1.00 C ATOM 214 C ASP A 13 6.066 -2.159 -8.918 1.00 1.00 C ATOM 215 O ASP A 13 6.458 -2.679 -9.944 1.00 1.00 O ATOM 216 CB ASP A 13 5.851 0.062 -10.031 1.00 1.00 C ATOM 217 CG ASP A 13 4.906 1.241 -10.272 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.197 1.604 -9.348 1.00 1.00 O ATOM 219 OD2 ASP A 13 4.907 1.759 -11.376 1.00 1.00 O ATOM 0 H ASP A 13 6.226 0.103 -7.315 1.00 1.00 H new ATOM 0 HA ASP A 13 4.222 -1.100 -9.200 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.828 0.425 -9.712 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.004 -0.491 -10.958 1.00 1.00 H new ATOM 224 N THR A 14 6.324 -2.702 -7.758 1.00 1.00 N ATOM 225 CA THR A 14 7.108 -3.971 -7.710 1.00 1.00 C ATOM 226 C THR A 14 6.960 -4.637 -6.341 1.00 1.00 C ATOM 227 O THR A 14 6.711 -3.987 -5.345 1.00 1.00 O ATOM 228 CB THR A 14 8.584 -3.664 -7.970 1.00 1.00 C ATOM 229 OG1 THR A 14 9.319 -4.880 -8.002 1.00 1.00 O ATOM 230 CG2 THR A 14 9.123 -2.769 -6.855 1.00 1.00 C ATOM 0 H THR A 14 6.031 -2.329 -6.855 1.00 1.00 H new ATOM 0 HA THR A 14 6.730 -4.650 -8.474 1.00 1.00 H new ATOM 0 HB THR A 14 8.687 -3.151 -8.926 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.265 -4.686 -8.170 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.175 -2.550 -7.040 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.557 -1.838 -6.831 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.022 -3.280 -5.897 1.00 1.00 H new ATOM 238 N LYS A 15 7.124 -5.932 -6.287 1.00 1.00 N ATOM 239 CA LYS A 15 7.007 -6.649 -4.987 1.00 1.00 C ATOM 240 C LYS A 15 8.252 -6.365 -4.148 1.00 1.00 C ATOM 241 O LYS A 15 8.246 -6.499 -2.941 1.00 1.00 O ATOM 242 CB LYS A 15 6.900 -8.155 -5.240 1.00 1.00 C ATOM 243 CG LYS A 15 5.709 -8.439 -6.157 1.00 1.00 C ATOM 244 CD LYS A 15 5.736 -9.908 -6.585 1.00 1.00 C ATOM 245 CE LYS A 15 4.495 -10.219 -7.426 1.00 1.00 C ATOM 246 NZ LYS A 15 4.316 -11.696 -7.519 1.00 1.00 N ATOM 0 H LYS A 15 7.334 -6.524 -7.090 1.00 1.00 H new ATOM 0 HA LYS A 15 6.117 -6.307 -4.458 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.819 -8.523 -5.696 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.779 -8.685 -4.295 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.776 -8.217 -5.639 1.00 1.00 H new ATOM 0 HG3 LYS A 15 5.749 -7.793 -7.034 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.639 -10.113 -7.160 1.00 1.00 H new ATOM 0 HD3 LYS A 15 5.764 -10.553 -5.707 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.614 -9.763 -6.976 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.601 -9.791 -8.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.473 -11.908 -8.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.154 -12.120 -7.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.196 -12.092 -6.565 1.00 1.00 H new ATOM 260 N LYS A 16 9.322 -5.970 -4.787 1.00 1.00 N ATOM 261 CA LYS A 16 10.582 -5.665 -4.047 1.00 1.00 C ATOM 262 C LYS A 16 10.911 -4.182 -4.219 1.00 1.00 C ATOM 263 O LYS A 16 11.908 -3.823 -4.814 1.00 1.00 O ATOM 264 CB LYS A 16 11.726 -6.513 -4.613 1.00 1.00 C ATOM 265 CG LYS A 16 11.244 -7.955 -4.844 1.00 1.00 C ATOM 266 CD LYS A 16 10.740 -8.114 -6.286 1.00 1.00 C ATOM 267 CE LYS A 16 11.918 -8.420 -7.216 1.00 1.00 C ATOM 268 NZ LYS A 16 11.523 -8.138 -8.625 1.00 1.00 N ATOM 0 H LYS A 16 9.377 -5.845 -5.798 1.00 1.00 H new ATOM 0 HA LYS A 16 10.455 -5.895 -2.989 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.079 -6.084 -5.551 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.570 -6.508 -3.923 1.00 1.00 H new ATOM 0 HG2 LYS A 16 12.058 -8.654 -4.655 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.446 -8.198 -4.142 1.00 1.00 H new ATOM 0 HD2 LYS A 16 10.005 -8.918 -6.338 1.00 1.00 H new ATOM 0 HD3 LYS A 16 10.238 -7.202 -6.608 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.780 -7.813 -6.940 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.216 -9.463 -7.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.322 -8.345 -9.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.712 -8.735 -8.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.259 -7.136 -8.718 1.00 1.00 H new ATOM 282 N VAL A 17 10.075 -3.317 -3.714 1.00 1.00 N ATOM 283 CA VAL A 17 10.335 -1.857 -3.860 1.00 1.00 C ATOM 284 C VAL A 17 11.739 -1.529 -3.391 1.00 1.00 C ATOM 285 O VAL A 17 12.413 -2.334 -2.780 1.00 1.00 O ATOM 286 CB VAL A 17 9.350 -1.061 -3.008 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.930 -1.333 -3.485 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.489 -1.479 -1.541 1.00 1.00 C ATOM 0 H VAL A 17 9.223 -3.558 -3.207 1.00 1.00 H new ATOM 0 HA VAL A 17 10.219 -1.594 -4.911 1.00 1.00 H new ATOM 0 HB VAL A 17 9.565 0.003 -3.102 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.227 -0.765 -2.877 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.833 -1.032 -4.528 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.713 -2.397 -3.392 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.786 -0.911 -0.932 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.275 -2.543 -1.444 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.505 -1.281 -1.201 1.00 1.00 H new ATOM 298 N LYS A 18 12.170 -0.332 -3.654 1.00 1.00 N ATOM 299 CA LYS A 18 13.520 0.085 -3.206 1.00 1.00 C ATOM 300 C LYS A 18 13.361 0.869 -1.910 1.00 1.00 C ATOM 301 O LYS A 18 13.625 2.051 -1.849 1.00 1.00 O ATOM 302 CB LYS A 18 14.172 0.967 -4.274 1.00 1.00 C ATOM 303 CG LYS A 18 13.145 1.976 -4.798 1.00 1.00 C ATOM 304 CD LYS A 18 13.831 2.984 -5.729 1.00 1.00 C ATOM 305 CE LYS A 18 13.989 2.376 -7.127 1.00 1.00 C ATOM 306 NZ LYS A 18 12.653 1.971 -7.648 1.00 1.00 N ATOM 0 H LYS A 18 11.643 0.378 -4.162 1.00 1.00 H new ATOM 0 HA LYS A 18 14.154 -0.787 -3.046 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.031 1.491 -3.854 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.543 0.351 -5.093 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.351 1.455 -5.333 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.677 2.498 -3.964 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.243 3.900 -5.785 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.807 3.257 -5.329 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.449 3.100 -7.800 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.652 1.512 -7.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.642 2.061 -8.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 12.463 0.983 -7.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.920 2.586 -7.239 1.00 1.00 H new ATOM 320 N CYS A 19 12.902 0.212 -0.880 1.00 1.00 N ATOM 321 CA CYS A 19 12.684 0.890 0.429 1.00 1.00 C ATOM 322 C CYS A 19 13.727 1.994 0.652 1.00 1.00 C ATOM 323 O CYS A 19 13.415 3.072 1.122 1.00 1.00 O ATOM 324 CB CYS A 19 12.802 -0.143 1.551 1.00 1.00 C ATOM 325 SG CYS A 19 11.311 -1.166 1.585 1.00 1.00 S ATOM 0 H CYS A 19 12.666 -0.780 -0.891 1.00 1.00 H new ATOM 0 HA CYS A 19 11.692 1.342 0.429 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.681 -0.768 1.394 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.934 0.359 2.510 1.00 1.00 H new ATOM 330 N ASP A 20 14.963 1.729 0.323 1.00 1.00 N ATOM 331 CA ASP A 20 16.032 2.750 0.524 1.00 1.00 C ATOM 332 C ASP A 20 15.567 4.100 -0.024 1.00 1.00 C ATOM 333 O ASP A 20 15.787 5.133 0.577 1.00 1.00 O ATOM 334 CB ASP A 20 17.301 2.311 -0.211 1.00 1.00 C ATOM 335 CG ASP A 20 18.350 3.421 -0.129 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.259 4.354 -0.911 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.226 3.319 0.713 1.00 1.00 O ATOM 0 H ASP A 20 15.279 0.846 -0.078 1.00 1.00 H new ATOM 0 HA ASP A 20 16.242 2.847 1.589 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.691 1.394 0.231 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.072 2.089 -1.253 1.00 1.00 H new ATOM 342 N VAL A 21 14.918 4.098 -1.155 1.00 1.00 N ATOM 343 CA VAL A 21 14.431 5.378 -1.743 1.00 1.00 C ATOM 344 C VAL A 21 12.932 5.514 -1.473 1.00 1.00 C ATOM 345 O VAL A 21 12.413 6.605 -1.354 1.00 1.00 O ATOM 346 CB VAL A 21 14.682 5.370 -3.252 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.681 6.805 -3.784 1.00 1.00 C ATOM 348 CG2 VAL A 21 16.038 4.722 -3.539 1.00 1.00 C ATOM 0 H VAL A 21 14.703 3.263 -1.699 1.00 1.00 H new ATOM 0 HA VAL A 21 14.961 6.217 -1.293 1.00 1.00 H new ATOM 0 HB VAL A 21 13.893 4.802 -3.745 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.860 6.795 -4.859 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.715 7.267 -3.582 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.467 7.376 -3.291 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.218 4.716 -4.614 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.825 5.290 -3.043 1.00 1.00 H new ATOM 0 HG23 VAL A 21 16.038 3.698 -3.165 1.00 1.00 H new ATOM 358 N GLU A 22 12.233 4.415 -1.363 1.00 1.00 N ATOM 359 CA GLU A 22 10.771 4.488 -1.088 1.00 1.00 C ATOM 360 C GLU A 22 10.563 5.195 0.252 1.00 1.00 C ATOM 361 O GLU A 22 9.455 5.505 0.642 1.00 1.00 O ATOM 362 CB GLU A 22 10.186 3.068 -1.031 1.00 1.00 C ATOM 363 CG GLU A 22 8.873 3.015 -1.819 1.00 1.00 C ATOM 364 CD GLU A 22 9.167 3.161 -3.313 1.00 1.00 C ATOM 365 OE1 GLU A 22 9.677 2.217 -3.892 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.877 4.216 -3.852 1.00 1.00 O ATOM 0 H GLU A 22 12.612 3.472 -1.452 1.00 1.00 H new ATOM 0 HA GLU A 22 10.266 5.042 -1.879 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.898 2.355 -1.445 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.011 2.778 0.005 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.361 2.072 -1.629 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.206 3.812 -1.489 1.00 1.00 H new ATOM 373 N MET A 23 11.635 5.449 0.956 1.00 1.00 N ATOM 374 CA MET A 23 11.534 6.136 2.277 1.00 1.00 C ATOM 375 C MET A 23 12.515 7.310 2.314 1.00 1.00 C ATOM 376 O MET A 23 12.207 8.373 2.815 1.00 1.00 O ATOM 377 CB MET A 23 11.886 5.152 3.394 1.00 1.00 C ATOM 378 CG MET A 23 10.931 3.958 3.346 1.00 1.00 C ATOM 379 SD MET A 23 11.167 2.937 4.825 1.00 1.00 S ATOM 380 CE MET A 23 10.540 4.127 6.038 1.00 1.00 C ATOM 0 H MET A 23 12.584 5.208 0.670 1.00 1.00 H new ATOM 0 HA MET A 23 10.517 6.501 2.419 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.915 4.812 3.282 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.818 5.647 4.363 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.899 4.306 3.292 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.116 3.367 2.449 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.114 3.591 6.887 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.357 4.761 6.382 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.770 4.746 5.576 1.00 1.00 H new ATOM 390 N ALA A 24 13.697 7.126 1.793 1.00 1.00 N ATOM 391 CA ALA A 24 14.693 8.235 1.807 1.00 1.00 C ATOM 392 C ALA A 24 14.369 9.227 0.689 1.00 1.00 C ATOM 393 O ALA A 24 15.060 10.208 0.502 1.00 1.00 O ATOM 394 CB ALA A 24 16.097 7.666 1.594 1.00 1.00 C ATOM 0 H ALA A 24 14.016 6.259 1.360 1.00 1.00 H new ATOM 0 HA ALA A 24 14.652 8.746 2.769 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.824 8.478 1.604 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.329 6.961 2.392 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.140 7.153 0.633 1.00 1.00 H new ATOM 400 N LYS A 25 13.329 8.979 -0.061 1.00 1.00 N ATOM 401 CA LYS A 25 12.972 9.913 -1.167 1.00 1.00 C ATOM 402 C LYS A 25 12.674 11.305 -0.587 1.00 1.00 C ATOM 403 O LYS A 25 13.445 11.829 0.191 1.00 1.00 O ATOM 404 CB LYS A 25 11.761 9.381 -1.951 1.00 1.00 C ATOM 405 CG LYS A 25 10.723 8.760 -1.005 1.00 1.00 C ATOM 406 CD LYS A 25 9.855 7.760 -1.784 1.00 1.00 C ATOM 407 CE LYS A 25 8.804 8.512 -2.600 1.00 1.00 C ATOM 408 NZ LYS A 25 7.782 7.550 -3.101 1.00 1.00 N ATOM 0 H LYS A 25 12.713 8.173 0.044 1.00 1.00 H new ATOM 0 HA LYS A 25 13.812 9.989 -1.857 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.304 10.193 -2.516 1.00 1.00 H new ATOM 0 HB3 LYS A 25 12.091 8.636 -2.675 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.224 8.256 -0.178 1.00 1.00 H new ATOM 0 HG3 LYS A 25 10.098 9.540 -0.571 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.480 7.159 -2.445 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.368 7.072 -1.093 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.329 9.276 -1.985 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.277 9.025 -3.437 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.067 8.061 -3.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.242 6.837 -3.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 7.323 7.080 -2.295 1.00 1.00 H new ATOM 422 N ALA A 26 11.582 11.923 -0.969 1.00 1.00 N ATOM 423 CA ALA A 26 11.274 13.291 -0.444 1.00 1.00 C ATOM 424 C ALA A 26 9.938 13.312 0.309 1.00 1.00 C ATOM 425 O ALA A 26 9.756 14.082 1.232 1.00 1.00 O ATOM 426 CB ALA A 26 11.201 14.271 -1.617 1.00 1.00 C ATOM 0 H ALA A 26 10.894 11.542 -1.618 1.00 1.00 H new ATOM 0 HA ALA A 26 12.064 13.579 0.250 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.977 15.270 -1.243 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.158 14.285 -2.139 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.416 13.957 -2.305 1.00 1.00 H new ATOM 432 N LEU A 27 8.989 12.503 -0.082 1.00 1.00 N ATOM 433 CA LEU A 27 7.667 12.530 0.618 1.00 1.00 C ATOM 434 C LEU A 27 7.744 11.755 1.939 1.00 1.00 C ATOM 435 O LEU A 27 6.810 11.753 2.716 1.00 1.00 O ATOM 436 CB LEU A 27 6.584 11.936 -0.303 1.00 1.00 C ATOM 437 CG LEU A 27 6.473 10.409 -0.114 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.586 10.076 1.102 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.857 9.783 -1.375 1.00 1.00 C ATOM 0 H LEU A 27 9.068 11.832 -0.846 1.00 1.00 H new ATOM 0 HA LEU A 27 7.405 13.562 0.850 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.623 12.403 -0.088 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.823 12.161 -1.343 1.00 1.00 H new ATOM 0 HG LEU A 27 7.471 10.005 0.056 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.520 8.994 1.219 1.00 1.00 H new ATOM 0 HD12 LEU A 27 6.022 10.512 2.001 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.588 10.486 0.947 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.778 8.704 -1.244 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.865 10.202 -1.542 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.491 9.998 -2.235 1.00 1.00 H new ATOM 451 N PHE A 28 8.848 11.110 2.207 1.00 1.00 N ATOM 452 CA PHE A 28 8.982 10.345 3.487 1.00 1.00 C ATOM 453 C PHE A 28 10.078 10.975 4.351 1.00 1.00 C ATOM 454 O PHE A 28 9.857 11.300 5.498 1.00 1.00 O ATOM 455 CB PHE A 28 9.349 8.891 3.176 1.00 1.00 C ATOM 456 CG PHE A 28 8.096 8.104 2.867 1.00 1.00 C ATOM 457 CD1 PHE A 28 7.224 7.742 3.900 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.808 7.737 1.548 1.00 1.00 C ATOM 459 CE1 PHE A 28 6.063 7.012 3.613 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.648 7.008 1.260 1.00 1.00 C ATOM 461 CZ PHE A 28 5.776 6.646 2.293 1.00 1.00 C ATOM 0 H PHE A 28 9.665 11.078 1.597 1.00 1.00 H new ATOM 0 HA PHE A 28 8.035 10.375 4.027 1.00 1.00 H new ATOM 0 HB2 PHE A 28 10.033 8.852 2.328 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.868 8.447 4.025 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.446 8.025 4.918 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.481 8.016 0.751 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.390 6.732 4.410 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.426 6.725 0.242 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.881 6.084 2.071 1.00 1.00 H new ATOM 471 N ASP A 29 11.256 11.146 3.806 1.00 1.00 N ATOM 472 CA ASP A 29 12.382 11.753 4.584 1.00 1.00 C ATOM 473 C ASP A 29 13.111 10.663 5.379 1.00 1.00 C ATOM 474 O ASP A 29 13.544 10.878 6.494 1.00 1.00 O ATOM 475 CB ASP A 29 11.852 12.831 5.544 1.00 1.00 C ATOM 476 CG ASP A 29 12.934 13.887 5.782 1.00 1.00 C ATOM 477 OD1 ASP A 29 14.101 13.535 5.726 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.578 15.030 6.015 1.00 1.00 O ATOM 0 H ASP A 29 11.489 10.889 2.847 1.00 1.00 H new ATOM 0 HA ASP A 29 13.078 12.218 3.886 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.960 13.298 5.125 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.559 12.377 6.491 1.00 1.00 H new ATOM 483 N CYS A 30 13.260 9.500 4.805 1.00 1.00 N ATOM 484 CA CYS A 30 13.976 8.392 5.506 1.00 1.00 C ATOM 485 C CYS A 30 13.353 8.130 6.883 1.00 1.00 C ATOM 486 O CYS A 30 13.950 8.409 7.904 1.00 1.00 O ATOM 487 CB CYS A 30 15.451 8.774 5.679 1.00 1.00 C ATOM 488 SG CYS A 30 16.306 7.496 6.635 1.00 1.00 S ATOM 0 H CYS A 30 12.915 9.267 3.874 1.00 1.00 H new ATOM 0 HA CYS A 30 13.891 7.485 4.907 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.923 8.889 4.703 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.530 9.735 6.187 1.00 1.00 H new ATOM 493 N LYS A 31 12.166 7.583 6.923 1.00 1.00 N ATOM 494 CA LYS A 31 11.525 7.293 8.241 1.00 1.00 C ATOM 495 C LYS A 31 12.148 6.029 8.839 1.00 1.00 C ATOM 496 O LYS A 31 13.354 5.899 8.922 1.00 1.00 O ATOM 497 CB LYS A 31 10.020 7.068 8.051 1.00 1.00 C ATOM 498 CG LYS A 31 9.414 8.193 7.207 1.00 1.00 C ATOM 499 CD LYS A 31 9.615 9.553 7.886 1.00 1.00 C ATOM 500 CE LYS A 31 9.111 9.507 9.333 1.00 1.00 C ATOM 501 NZ LYS A 31 8.783 10.889 9.786 1.00 1.00 N ATOM 0 H LYS A 31 11.615 7.325 6.105 1.00 1.00 H new ATOM 0 HA LYS A 31 11.683 8.139 8.910 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.848 6.107 7.565 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.527 7.027 9.022 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.876 8.203 6.220 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.350 8.009 7.059 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.671 9.822 7.870 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.081 10.325 7.333 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.229 8.870 9.403 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.871 9.071 9.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.441 10.861 10.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.635 11.483 9.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.044 11.289 9.173 1.00 1.00 H new ATOM 515 N LYS A 32 11.334 5.094 9.257 1.00 1.00 N ATOM 516 CA LYS A 32 11.873 3.834 9.851 1.00 1.00 C ATOM 517 C LYS A 32 11.007 2.648 9.417 1.00 1.00 C ATOM 518 O LYS A 32 11.490 1.546 9.245 1.00 1.00 O ATOM 519 CB LYS A 32 11.858 3.942 11.380 1.00 1.00 C ATOM 520 CG LYS A 32 13.111 4.678 11.857 1.00 1.00 C ATOM 521 CD LYS A 32 12.947 5.064 13.328 1.00 1.00 C ATOM 522 CE LYS A 32 12.659 3.811 14.158 1.00 1.00 C ATOM 523 NZ LYS A 32 12.960 4.085 15.592 1.00 1.00 N ATOM 0 H LYS A 32 10.316 5.149 9.212 1.00 1.00 H new ATOM 0 HA LYS A 32 12.895 3.682 9.505 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.965 4.474 11.708 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.817 2.947 11.824 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.988 4.043 11.732 1.00 1.00 H new ATOM 0 HG3 LYS A 32 13.274 5.570 11.252 1.00 1.00 H new ATOM 0 HD2 LYS A 32 13.852 5.552 13.690 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.133 5.780 13.438 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.615 3.518 14.044 1.00 1.00 H new ATOM 0 HE3 LYS A 32 13.265 2.978 13.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 12.764 3.234 16.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.962 4.345 15.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 12.364 4.868 15.928 1.00 1.00 H new ATOM 537 N THR A 33 9.731 2.864 9.236 1.00 1.00 N ATOM 538 CA THR A 33 8.828 1.753 8.810 1.00 1.00 C ATOM 539 C THR A 33 7.977 2.225 7.631 1.00 1.00 C ATOM 540 O THR A 33 7.605 3.378 7.546 1.00 1.00 O ATOM 541 CB THR A 33 7.914 1.362 9.975 1.00 1.00 C ATOM 542 OG1 THR A 33 7.002 0.362 9.543 1.00 1.00 O ATOM 543 CG2 THR A 33 7.138 2.591 10.452 1.00 1.00 C ATOM 0 H THR A 33 9.273 3.766 9.365 1.00 1.00 H new ATOM 0 HA THR A 33 9.423 0.889 8.512 1.00 1.00 H new ATOM 0 HB THR A 33 8.517 0.975 10.797 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.417 0.109 10.288 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.488 2.312 11.281 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.839 3.358 10.783 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.534 2.980 9.633 1.00 1.00 H new ATOM 551 N ASN A 34 7.667 1.347 6.716 1.00 1.00 N ATOM 552 CA ASN A 34 6.846 1.760 5.544 1.00 1.00 C ATOM 553 C ASN A 34 6.114 0.550 4.966 1.00 1.00 C ATOM 554 O ASN A 34 6.591 -0.567 5.028 1.00 1.00 O ATOM 555 CB ASN A 34 7.759 2.350 4.470 1.00 1.00 C ATOM 556 CG ASN A 34 6.923 3.150 3.468 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.897 2.688 3.011 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.322 4.338 3.106 1.00 1.00 N ATOM 0 H ASN A 34 7.946 0.366 6.730 1.00 1.00 H new ATOM 0 HA ASN A 34 6.117 2.504 5.864 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.509 2.994 4.930 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.296 1.552 3.956 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.772 4.879 2.439 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.184 4.726 3.490 1.00 1.00 H new ATOM 565 N THR A 35 4.960 0.768 4.400 1.00 1.00 N ATOM 566 CA THR A 35 4.188 -0.359 3.805 1.00 1.00 C ATOM 567 C THR A 35 3.555 0.103 2.493 1.00 1.00 C ATOM 568 O THR A 35 3.248 1.266 2.315 1.00 1.00 O ATOM 569 CB THR A 35 3.089 -0.793 4.778 1.00 1.00 C ATOM 570 OG1 THR A 35 3.676 -1.169 6.016 1.00 1.00 O ATOM 571 CG2 THR A 35 2.326 -1.983 4.191 1.00 1.00 C ATOM 0 H THR A 35 4.516 1.683 4.323 1.00 1.00 H new ATOM 0 HA THR A 35 4.854 -1.200 3.613 1.00 1.00 H new ATOM 0 HB THR A 35 2.399 0.035 4.939 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.973 -1.446 6.641 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.544 -2.291 4.884 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.876 -1.694 3.241 1.00 1.00 H new ATOM 0 HG23 THR A 35 3.014 -2.812 4.029 1.00 1.00 H new ATOM 579 N PHE A 36 3.343 -0.800 1.576 1.00 1.00 N ATOM 580 CA PHE A 36 2.713 -0.414 0.277 1.00 1.00 C ATOM 581 C PHE A 36 1.955 -1.625 -0.266 1.00 1.00 C ATOM 582 O PHE A 36 1.968 -2.676 0.331 1.00 1.00 O ATOM 583 CB PHE A 36 3.778 0.015 -0.748 1.00 1.00 C ATOM 584 CG PHE A 36 5.025 0.514 -0.053 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.806 -0.365 0.698 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.409 1.855 -0.181 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.971 0.089 1.324 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.573 2.312 0.447 1.00 1.00 C ATOM 589 CZ PHE A 36 7.354 1.429 1.199 1.00 1.00 C ATOM 0 H PHE A 36 3.578 -1.788 1.668 1.00 1.00 H new ATOM 0 HA PHE A 36 2.040 0.427 0.443 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.028 -0.828 -1.393 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.376 0.799 -1.390 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.510 -1.399 0.796 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.807 2.536 -0.764 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.575 -0.594 1.903 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.868 3.346 0.351 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.253 1.781 1.683 1.00 1.00 H new ATOM 599 N ILE A 37 1.292 -1.486 -1.388 1.00 1.00 N ATOM 600 CA ILE A 37 0.533 -2.635 -1.958 1.00 1.00 C ATOM 601 C ILE A 37 0.990 -2.891 -3.394 1.00 1.00 C ATOM 602 O ILE A 37 1.131 -1.975 -4.188 1.00 1.00 O ATOM 603 CB ILE A 37 -0.966 -2.312 -1.945 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.398 -1.888 -0.528 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.758 -3.552 -2.370 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.640 -0.988 -0.596 1.00 1.00 C ATOM 0 H ILE A 37 1.246 -0.624 -1.932 1.00 1.00 H new ATOM 0 HA ILE A 37 0.718 -3.526 -1.358 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.163 -1.495 -2.639 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.613 -2.771 0.073 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.583 -1.358 -0.035 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.824 -3.324 -2.361 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.459 -3.848 -3.375 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.556 -4.368 -1.676 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.934 -0.696 0.412 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.412 -0.096 -1.180 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.458 -1.532 -1.069 1.00 1.00 H new ATOM 618 N TYR A 38 1.228 -4.133 -3.734 1.00 1.00 N ATOM 619 CA TYR A 38 1.675 -4.452 -5.122 1.00 1.00 C ATOM 620 C TYR A 38 0.450 -4.792 -5.976 1.00 1.00 C ATOM 621 O TYR A 38 -0.046 -5.901 -5.952 1.00 1.00 O ATOM 622 CB TYR A 38 2.625 -5.650 -5.099 1.00 1.00 C ATOM 623 CG TYR A 38 2.986 -6.029 -6.517 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.690 -5.128 -7.324 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.611 -7.280 -7.026 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.020 -5.476 -8.639 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.943 -7.627 -8.342 1.00 1.00 C ATOM 628 CZ TYR A 38 3.647 -6.726 -9.148 1.00 1.00 C ATOM 629 OH TYR A 38 3.972 -7.068 -10.445 1.00 1.00 O ATOM 0 H TYR A 38 1.132 -4.936 -3.112 1.00 1.00 H new ATOM 0 HA TYR A 38 2.195 -3.591 -5.543 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.525 -5.404 -4.536 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.153 -6.493 -4.594 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.979 -4.164 -6.932 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.067 -7.976 -6.404 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.563 -4.780 -9.261 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.655 -8.591 -8.735 1.00 1.00 H new ATOM 0 HH TYR A 38 3.640 -7.970 -10.639 1.00 1.00 H new ATOM 639 N ALA A 39 -0.042 -3.847 -6.731 1.00 1.00 N ATOM 640 CA ALA A 39 -1.234 -4.121 -7.584 1.00 1.00 C ATOM 641 C ALA A 39 -1.269 -3.129 -8.747 1.00 1.00 C ATOM 642 O ALA A 39 -0.690 -2.062 -8.684 1.00 1.00 O ATOM 643 CB ALA A 39 -2.506 -3.970 -6.747 1.00 1.00 C ATOM 0 H ALA A 39 0.329 -2.899 -6.794 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.174 -5.137 -7.975 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.378 -4.170 -7.370 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.482 -4.678 -5.918 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.566 -2.954 -6.355 1.00 1.00 H new ATOM 649 N LEU A 40 -1.941 -3.472 -9.814 1.00 1.00 N ATOM 650 CA LEU A 40 -2.009 -2.549 -10.982 1.00 1.00 C ATOM 651 C LEU A 40 -3.207 -1.593 -10.806 1.00 1.00 C ATOM 652 O LEU A 40 -4.225 -1.964 -10.258 1.00 1.00 O ATOM 653 CB LEU A 40 -2.113 -3.388 -12.272 1.00 1.00 C ATOM 654 CG LEU A 40 -3.574 -3.616 -12.677 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.016 -2.491 -13.610 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.697 -4.956 -13.410 1.00 1.00 C ATOM 0 H LEU A 40 -2.445 -4.351 -9.926 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.110 -1.937 -11.051 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.585 -2.882 -13.080 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.621 -4.349 -12.123 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.203 -3.628 -11.787 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.055 -2.647 -13.902 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.924 -1.534 -13.096 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.386 -2.487 -14.499 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.735 -5.119 -13.698 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.071 -4.942 -14.302 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.372 -5.762 -12.752 1.00 1.00 H new ATOM 668 N PRO A 41 -3.072 -0.359 -11.241 1.00 1.00 N ATOM 669 CA PRO A 41 -4.146 0.673 -11.100 1.00 1.00 C ATOM 670 C PRO A 41 -5.546 0.158 -11.460 1.00 1.00 C ATOM 671 O PRO A 41 -6.473 0.256 -10.681 1.00 1.00 O ATOM 672 CB PRO A 41 -3.737 1.767 -12.090 1.00 1.00 C ATOM 673 CG PRO A 41 -2.262 1.621 -12.288 1.00 1.00 C ATOM 674 CD PRO A 41 -1.879 0.185 -11.911 1.00 1.00 C ATOM 0 HA PRO A 41 -4.223 1.003 -10.064 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.269 1.656 -13.035 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.981 2.755 -11.701 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.993 1.829 -13.324 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.721 2.336 -11.668 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.620 -0.400 -12.794 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.012 0.167 -11.251 1.00 1.00 H new ATOM 682 N GLY A 42 -5.710 -0.367 -12.641 1.00 1.00 N ATOM 683 CA GLY A 42 -7.055 -0.863 -13.058 1.00 1.00 C ATOM 684 C GLY A 42 -7.610 -1.831 -12.010 1.00 1.00 C ATOM 685 O GLY A 42 -8.729 -1.702 -11.570 1.00 1.00 O ATOM 0 H GLY A 42 -4.972 -0.475 -13.337 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.737 -0.022 -13.185 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.983 -1.363 -14.024 1.00 1.00 H new ATOM 689 N ARG A 43 -6.837 -2.801 -11.612 1.00 1.00 N ATOM 690 CA ARG A 43 -7.320 -3.780 -10.597 1.00 1.00 C ATOM 691 C ARG A 43 -7.606 -3.068 -9.271 1.00 1.00 C ATOM 692 O ARG A 43 -8.439 -3.492 -8.496 1.00 1.00 O ATOM 693 CB ARG A 43 -6.251 -4.851 -10.376 1.00 1.00 C ATOM 694 CG ARG A 43 -6.804 -5.944 -9.459 1.00 1.00 C ATOM 695 CD ARG A 43 -5.885 -7.165 -9.504 1.00 1.00 C ATOM 696 NE ARG A 43 -4.558 -6.811 -8.923 1.00 1.00 N ATOM 697 CZ ARG A 43 -3.777 -7.748 -8.462 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.156 -8.997 -8.508 1.00 1.00 N ATOM 699 NH2 ARG A 43 -2.616 -7.438 -7.953 1.00 1.00 N ATOM 0 H ARG A 43 -5.887 -2.960 -11.947 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.238 -4.243 -10.958 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.949 -5.281 -11.331 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.361 -4.405 -9.932 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.881 -5.571 -8.438 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.810 -6.222 -9.773 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -6.330 -7.989 -8.946 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.764 -7.505 -10.533 1.00 1.00 H new ATOM 0 HE ARG A 43 -4.261 -5.836 -8.886 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -5.064 -9.240 -8.905 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.544 -9.729 -8.147 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.319 -6.463 -7.916 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -2.005 -8.171 -7.592 1.00 1.00 H new ATOM 713 N VAL A 44 -6.916 -1.993 -8.996 1.00 1.00 N ATOM 714 CA VAL A 44 -7.146 -1.268 -7.714 1.00 1.00 C ATOM 715 C VAL A 44 -8.443 -0.460 -7.800 1.00 1.00 C ATOM 716 O VAL A 44 -9.350 -0.639 -7.011 1.00 1.00 O ATOM 717 CB VAL A 44 -5.974 -0.322 -7.447 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.255 0.497 -6.185 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.692 -1.139 -7.252 1.00 1.00 C ATOM 0 H VAL A 44 -6.204 -1.587 -9.603 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.226 -1.991 -6.902 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.850 0.351 -8.296 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.420 1.171 -5.995 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.166 1.079 -6.324 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.380 -0.175 -5.336 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.857 -0.465 -7.062 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.815 -1.813 -6.404 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.491 -1.721 -8.151 1.00 1.00 H new ATOM 729 N LYS A 45 -8.542 0.426 -8.751 1.00 1.00 N ATOM 730 CA LYS A 45 -9.783 1.240 -8.885 1.00 1.00 C ATOM 731 C LYS A 45 -10.942 0.322 -9.275 1.00 1.00 C ATOM 732 O LYS A 45 -12.099 0.653 -9.105 1.00 1.00 O ATOM 733 CB LYS A 45 -9.585 2.302 -9.968 1.00 1.00 C ATOM 734 CG LYS A 45 -9.390 1.618 -11.324 1.00 1.00 C ATOM 735 CD LYS A 45 -8.801 2.616 -12.323 1.00 1.00 C ATOM 736 CE LYS A 45 -9.714 3.839 -12.425 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.134 3.394 -12.495 1.00 1.00 N ATOM 0 H LYS A 45 -7.817 0.622 -9.442 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.005 1.731 -7.937 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.449 2.965 -10.004 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.719 2.920 -9.732 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.726 0.760 -11.218 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.344 1.240 -11.692 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.804 2.920 -12.004 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.694 2.147 -13.301 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.567 4.489 -11.562 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.461 4.423 -13.310 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.683 4.073 -13.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.182 2.455 -12.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.530 3.344 -11.535 1.00 1.00 H new ATOM 751 N ALA A 46 -10.634 -0.829 -9.803 1.00 1.00 N ATOM 752 CA ALA A 46 -11.701 -1.781 -10.215 1.00 1.00 C ATOM 753 C ALA A 46 -12.298 -2.451 -8.975 1.00 1.00 C ATOM 754 O ALA A 46 -13.486 -2.685 -8.894 1.00 1.00 O ATOM 755 CB ALA A 46 -11.094 -2.848 -11.128 1.00 1.00 C ATOM 0 H ALA A 46 -9.681 -1.153 -9.968 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.486 -1.244 -10.747 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.870 -3.549 -11.434 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.667 -2.372 -12.011 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.312 -3.384 -10.591 1.00 1.00 H new ATOM 761 N LEU A 47 -11.479 -2.762 -8.008 1.00 1.00 N ATOM 762 CA LEU A 47 -11.997 -3.421 -6.775 1.00 1.00 C ATOM 763 C LEU A 47 -12.838 -2.424 -5.972 1.00 1.00 C ATOM 764 O LEU A 47 -13.360 -2.748 -4.923 1.00 1.00 O ATOM 765 CB LEU A 47 -10.821 -3.900 -5.919 1.00 1.00 C ATOM 766 CG LEU A 47 -10.148 -5.108 -6.587 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.706 -5.232 -6.086 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.911 -6.391 -6.240 1.00 1.00 C ATOM 0 H LEU A 47 -10.474 -2.589 -8.018 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.616 -4.273 -7.055 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -10.099 -3.093 -5.793 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -11.171 -4.172 -4.923 1.00 1.00 H new ATOM 0 HG LEU A 47 -10.154 -4.964 -7.667 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -8.229 -6.089 -6.560 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -8.155 -4.326 -6.336 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.707 -5.369 -5.005 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -10.427 -7.243 -6.718 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.911 -6.533 -5.159 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.938 -6.311 -6.596 1.00 1.00 H new ATOM 780 N CYS A 48 -12.973 -1.215 -6.452 1.00 1.00 N ATOM 781 CA CYS A 48 -13.781 -0.197 -5.715 1.00 1.00 C ATOM 782 C CYS A 48 -15.044 0.120 -6.519 1.00 1.00 C ATOM 783 O CYS A 48 -15.992 0.681 -6.011 1.00 1.00 O ATOM 784 CB CYS A 48 -12.950 1.082 -5.540 1.00 1.00 C ATOM 785 SG CYS A 48 -12.153 1.072 -3.917 1.00 1.00 S ATOM 0 H CYS A 48 -12.558 -0.888 -7.324 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.059 -0.586 -4.735 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.197 1.149 -6.325 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.590 1.959 -5.637 1.00 1.00 H new ATOM 790 N LYS A 49 -15.058 -0.233 -7.772 1.00 1.00 N ATOM 791 CA LYS A 49 -16.253 0.052 -8.613 1.00 1.00 C ATOM 792 C LYS A 49 -17.468 -0.704 -8.064 1.00 1.00 C ATOM 793 O LYS A 49 -17.341 -1.758 -7.473 1.00 1.00 O ATOM 794 CB LYS A 49 -15.967 -0.384 -10.055 1.00 1.00 C ATOM 795 CG LYS A 49 -16.205 -1.891 -10.207 1.00 1.00 C ATOM 796 CD LYS A 49 -15.556 -2.382 -11.504 1.00 1.00 C ATOM 797 CE LYS A 49 -15.727 -3.897 -11.619 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.133 -4.265 -11.287 1.00 1.00 N ATOM 0 H LYS A 49 -14.293 -0.707 -8.252 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.470 1.120 -8.594 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.610 0.165 -10.743 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.937 -0.142 -10.319 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.786 -2.424 -9.354 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.274 -2.102 -10.220 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -16.013 -1.888 -12.361 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.497 -2.123 -11.514 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.483 -4.226 -12.629 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.038 -4.404 -10.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -17.353 -5.197 -11.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -17.248 -4.301 -10.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.781 -3.554 -11.682 1.00 1.00 H new ATOM 812 N ASN A 50 -18.645 -0.171 -8.263 1.00 1.00 N ATOM 813 CA ASN A 50 -19.878 -0.851 -7.768 1.00 1.00 C ATOM 814 C ASN A 50 -20.002 -0.678 -6.249 1.00 1.00 C ATOM 815 O ASN A 50 -21.023 -0.982 -5.666 1.00 1.00 O ATOM 816 CB ASN A 50 -19.816 -2.346 -8.113 1.00 1.00 C ATOM 817 CG ASN A 50 -21.233 -2.892 -8.309 1.00 1.00 C ATOM 818 OD1 ASN A 50 -22.070 -2.242 -8.904 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.539 -4.066 -7.830 1.00 1.00 N ATOM 0 H ASN A 50 -18.806 0.711 -8.750 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.748 -0.402 -8.248 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.230 -2.495 -9.020 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.313 -2.892 -7.315 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.480 -4.438 -7.955 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -20.837 -4.612 -7.331 1.00 1.00 H new ATOM 826 N ILE A 51 -18.976 -0.197 -5.602 1.00 1.00 N ATOM 827 CA ILE A 51 -19.054 -0.015 -4.125 1.00 1.00 C ATOM 828 C ILE A 51 -19.867 1.238 -3.806 1.00 1.00 C ATOM 829 O ILE A 51 -20.240 1.994 -4.682 1.00 1.00 O ATOM 830 CB ILE A 51 -17.643 0.128 -3.547 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.833 -1.143 -3.839 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.716 0.350 -2.034 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.555 -2.374 -3.278 1.00 1.00 C ATOM 0 H ILE A 51 -18.091 0.077 -6.030 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.539 -0.884 -3.680 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.156 0.985 -4.012 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.692 -1.254 -4.914 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.841 -1.061 -3.395 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.708 0.451 -1.632 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.282 1.258 -1.826 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.211 -0.501 -1.565 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.970 -3.268 -3.492 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.673 -2.267 -2.200 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.537 -2.463 -3.743 1.00 1.00 H new ATOM 845 N ARG A 52 -20.147 1.458 -2.552 1.00 1.00 N ATOM 846 CA ARG A 52 -20.941 2.657 -2.156 1.00 1.00 C ATOM 847 C ARG A 52 -19.995 3.785 -1.737 1.00 1.00 C ATOM 848 O ARG A 52 -18.813 3.746 -2.001 1.00 1.00 O ATOM 849 CB ARG A 52 -21.852 2.297 -0.979 1.00 1.00 C ATOM 850 CG ARG A 52 -22.983 1.386 -1.464 1.00 1.00 C ATOM 851 CD ARG A 52 -22.401 0.075 -2.003 1.00 1.00 C ATOM 852 NE ARG A 52 -23.419 -1.006 -1.881 1.00 1.00 N ATOM 853 CZ ARG A 52 -24.486 -0.984 -2.632 1.00 1.00 C ATOM 854 NH1 ARG A 52 -24.662 -0.015 -3.488 1.00 1.00 N ATOM 855 NH2 ARG A 52 -25.378 -1.931 -2.526 1.00 1.00 N ATOM 0 H ARG A 52 -19.859 0.857 -1.780 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.545 2.986 -3.001 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.276 1.796 -0.201 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.266 3.203 -0.536 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.672 1.179 -0.645 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.557 1.887 -2.244 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -22.107 0.196 -3.045 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -21.502 -0.192 -1.447 1.00 1.00 H new ATOM 0 HE ARG A 52 -23.282 -1.763 -1.211 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -23.965 0.726 -3.570 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -25.496 0.002 -4.075 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -25.241 -2.688 -1.856 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.212 -1.914 -3.113 1.00 1.00 H new ATOM 869 N ASP A 53 -20.512 4.788 -1.083 1.00 1.00 N ATOM 870 CA ASP A 53 -19.654 5.925 -0.641 1.00 1.00 C ATOM 871 C ASP A 53 -18.567 5.427 0.303 1.00 1.00 C ATOM 872 O ASP A 53 -18.080 4.319 0.193 1.00 1.00 O ATOM 873 CB ASP A 53 -20.518 6.961 0.082 1.00 1.00 C ATOM 874 CG ASP A 53 -21.027 6.376 1.401 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.973 5.608 1.359 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.460 6.707 2.430 1.00 1.00 O ATOM 0 H ASP A 53 -21.498 4.870 -0.834 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.186 6.378 -1.515 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.937 7.864 0.273 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.359 7.250 -0.548 1.00 1.00 H new ATOM 881 N ASN A 54 -18.177 6.259 1.216 1.00 1.00 N ATOM 882 CA ASN A 54 -17.104 5.879 2.177 1.00 1.00 C ATOM 883 C ASN A 54 -17.576 4.715 3.051 1.00 1.00 C ATOM 884 O ASN A 54 -18.480 4.846 3.850 1.00 1.00 O ATOM 885 CB ASN A 54 -16.770 7.081 3.066 1.00 1.00 C ATOM 886 CG ASN A 54 -16.849 8.366 2.239 1.00 1.00 C ATOM 887 OD1 ASN A 54 -16.867 8.320 1.025 1.00 1.00 O ATOM 888 ND2 ASN A 54 -16.896 9.518 2.850 1.00 1.00 N ATOM 0 H ASN A 54 -18.556 7.197 1.343 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.217 5.574 1.623 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.466 7.132 3.903 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.771 6.968 3.488 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -16.948 10.381 2.308 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -16.881 9.556 3.869 1.00 1.00 H new ATOM 895 N THR A 55 -16.954 3.577 2.902 1.00 1.00 N ATOM 896 CA THR A 55 -17.339 2.391 3.717 1.00 1.00 C ATOM 897 C THR A 55 -16.098 1.525 3.940 1.00 1.00 C ATOM 898 O THR A 55 -15.105 1.663 3.253 1.00 1.00 O ATOM 899 CB THR A 55 -18.411 1.580 2.978 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.168 2.448 2.145 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.340 0.903 3.989 1.00 1.00 C ATOM 0 H THR A 55 -16.190 3.418 2.245 1.00 1.00 H new ATOM 0 HA THR A 55 -17.742 2.715 4.676 1.00 1.00 H new ATOM 0 HB THR A 55 -17.928 0.816 2.369 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.853 1.931 1.671 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.099 0.329 3.458 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.760 0.236 4.626 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.824 1.662 4.604 1.00 1.00 H new ATOM 909 N ASP A 56 -16.140 0.642 4.897 1.00 1.00 N ATOM 910 CA ASP A 56 -14.956 -0.223 5.169 1.00 1.00 C ATOM 911 C ASP A 56 -15.039 -1.502 4.333 1.00 1.00 C ATOM 912 O ASP A 56 -15.939 -2.301 4.494 1.00 1.00 O ATOM 913 CB ASP A 56 -14.928 -0.589 6.655 1.00 1.00 C ATOM 914 CG ASP A 56 -15.080 0.679 7.496 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.097 1.385 7.651 1.00 1.00 O ATOM 916 OD2 ASP A 56 -16.177 0.924 7.969 1.00 1.00 O ATOM 0 H ASP A 56 -16.943 0.481 5.504 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.048 0.319 4.904 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.732 -1.288 6.883 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.991 -1.090 6.899 1.00 1.00 H new ATOM 921 N VAL A 57 -14.095 -1.705 3.448 1.00 1.00 N ATOM 922 CA VAL A 57 -14.103 -2.937 2.604 1.00 1.00 C ATOM 923 C VAL A 57 -12.905 -3.812 2.985 1.00 1.00 C ATOM 924 O VAL A 57 -12.126 -3.469 3.851 1.00 1.00 O ATOM 925 CB VAL A 57 -14.015 -2.550 1.125 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.323 -1.881 0.697 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.854 -1.578 0.914 1.00 1.00 C ATOM 0 H VAL A 57 -13.317 -1.068 3.274 1.00 1.00 H new ATOM 0 HA VAL A 57 -15.027 -3.491 2.770 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.848 -3.446 0.527 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.263 -1.605 -0.356 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -16.151 -2.574 0.843 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.488 -0.987 1.298 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.795 -1.305 -0.140 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -13.017 -0.682 1.512 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.922 -2.053 1.219 1.00 1.00 H new ATOM 937 N LEU A 58 -12.761 -4.948 2.359 1.00 1.00 N ATOM 938 CA LEU A 58 -11.623 -5.849 2.704 1.00 1.00 C ATOM 939 C LEU A 58 -11.359 -6.799 1.533 1.00 1.00 C ATOM 940 O LEU A 58 -12.278 -7.273 0.893 1.00 1.00 O ATOM 941 CB LEU A 58 -12.007 -6.645 3.959 1.00 1.00 C ATOM 942 CG LEU A 58 -10.962 -7.723 4.272 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.567 -7.113 4.292 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.252 -8.304 5.652 1.00 1.00 C ATOM 0 H LEU A 58 -13.380 -5.291 1.625 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.718 -5.273 2.896 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -12.101 -5.968 4.808 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.982 -7.111 3.814 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.010 -8.498 3.507 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.834 -7.888 4.515 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.347 -6.675 3.318 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.520 -6.338 5.057 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.515 -9.072 5.886 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.200 -7.512 6.399 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.249 -8.744 5.659 1.00 1.00 H new ATOM 956 N SER A 59 -10.116 -7.081 1.234 1.00 1.00 N ATOM 957 CA SER A 59 -9.829 -7.996 0.093 1.00 1.00 C ATOM 958 C SER A 59 -10.590 -9.310 0.297 1.00 1.00 C ATOM 959 O SER A 59 -10.939 -9.673 1.402 1.00 1.00 O ATOM 960 CB SER A 59 -8.324 -8.265 0.011 1.00 1.00 C ATOM 961 OG SER A 59 -8.106 -9.578 -0.486 1.00 1.00 O ATOM 0 H SER A 59 -9.298 -6.721 1.725 1.00 1.00 H new ATOM 0 HA SER A 59 -10.153 -7.533 -0.839 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.848 -7.533 -0.642 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.870 -8.157 0.996 1.00 1.00 H new ATOM 0 HG SER A 59 -7.348 -9.571 -1.107 1.00 1.00 H new ATOM 967 N ARG A 60 -10.876 -10.011 -0.767 1.00 1.00 N ATOM 968 CA ARG A 60 -11.641 -11.285 -0.641 1.00 1.00 C ATOM 969 C ARG A 60 -10.684 -12.468 -0.472 1.00 1.00 C ATOM 970 O ARG A 60 -11.100 -13.609 -0.448 1.00 1.00 O ATOM 971 CB ARG A 60 -12.484 -11.496 -1.900 1.00 1.00 C ATOM 972 CG ARG A 60 -13.284 -10.226 -2.201 1.00 1.00 C ATOM 973 CD ARG A 60 -14.051 -10.404 -3.513 1.00 1.00 C ATOM 974 NE ARG A 60 -14.510 -9.074 -4.003 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.810 -8.909 -5.263 1.00 1.00 C ATOM 976 NH1 ARG A 60 -14.707 -9.910 -6.094 1.00 1.00 N ATOM 977 NH2 ARG A 60 -15.213 -7.743 -5.692 1.00 1.00 N ATOM 0 H ARG A 60 -10.613 -9.756 -1.719 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.286 -11.223 0.235 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.840 -11.741 -2.744 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -13.160 -12.339 -1.760 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.979 -10.020 -1.387 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.613 -9.370 -2.273 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -13.413 -10.878 -4.259 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.906 -11.063 -3.361 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.590 -8.292 -3.354 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -14.392 -10.821 -5.759 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -14.941 -9.782 -7.078 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -15.294 -6.961 -5.043 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -15.447 -7.615 -6.676 1.00 1.00 H new ATOM 991 N ASP A 61 -9.410 -12.216 -0.354 1.00 1.00 N ATOM 992 CA ASP A 61 -8.451 -13.344 -0.189 1.00 1.00 C ATOM 993 C ASP A 61 -7.138 -12.833 0.401 1.00 1.00 C ATOM 994 O ASP A 61 -6.990 -12.716 1.601 1.00 1.00 O ATOM 995 CB ASP A 61 -8.180 -13.988 -1.551 1.00 1.00 C ATOM 996 CG ASP A 61 -9.378 -14.846 -1.961 1.00 1.00 C ATOM 997 OD1 ASP A 61 -9.599 -15.862 -1.323 1.00 1.00 O ATOM 998 OD2 ASP A 61 -10.055 -14.472 -2.905 1.00 1.00 O ATOM 0 H ASP A 61 -8.994 -11.285 -0.364 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.883 -14.082 0.487 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.999 -13.217 -2.300 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.280 -14.602 -1.502 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.179 -12.535 -0.432 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.874 -12.043 0.090 1.00 1.00 C ATOM 1005 C ALA A 62 -4.251 -11.065 -0.904 1.00 1.00 C ATOM 1006 O ALA A 62 -4.674 -10.959 -2.038 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.933 -13.233 0.297 1.00 1.00 C ATOM 0 H ALA A 62 -6.242 -12.611 -1.447 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.034 -11.531 1.039 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.976 -12.878 0.679 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.375 -13.926 1.013 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.777 -13.743 -0.653 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.242 -10.349 -0.485 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.581 -9.376 -1.398 1.00 1.00 C ATOM 1015 C PHE A 63 -1.098 -9.279 -1.033 1.00 1.00 C ATOM 1016 O PHE A 63 -0.742 -9.110 0.117 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.245 -8.000 -1.250 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.379 -7.873 -2.241 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.629 -8.435 -1.952 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.180 -7.195 -3.450 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.679 -8.319 -2.872 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.230 -7.079 -4.369 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.478 -7.642 -4.080 1.00 1.00 C ATOM 0 H PHE A 63 -2.847 -10.397 0.454 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.682 -9.710 -2.431 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.621 -7.874 -0.235 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.512 -7.211 -1.419 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.783 -8.958 -1.020 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.216 -6.761 -3.674 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.643 -8.752 -2.649 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.077 -6.555 -5.301 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.287 -7.554 -4.790 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.235 -9.390 -2.005 1.00 1.00 N ATOM 1034 CA LEU A 64 1.227 -9.313 -1.726 1.00 1.00 C ATOM 1035 C LEU A 64 1.643 -7.850 -1.579 1.00 1.00 C ATOM 1036 O LEU A 64 1.610 -7.092 -2.528 1.00 1.00 O ATOM 1037 CB LEU A 64 1.992 -9.939 -2.897 1.00 1.00 C ATOM 1038 CG LEU A 64 3.434 -10.267 -2.478 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.022 -11.297 -3.446 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.292 -8.995 -2.508 1.00 1.00 C ATOM 0 H LEU A 64 -0.481 -9.531 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 64 1.453 -9.849 -0.804 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.487 -10.847 -3.227 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.999 -9.253 -3.744 1.00 1.00 H new ATOM 0 HG LEU A 64 3.429 -10.672 -1.466 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.045 -11.531 -3.151 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.420 -12.205 -3.421 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.020 -10.889 -4.457 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.312 -9.237 -2.210 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.297 -8.583 -3.517 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.877 -8.260 -1.818 1.00 1.00 H new ATOM 1052 N LEU A 65 2.038 -7.439 -0.400 1.00 1.00 N ATOM 1053 CA LEU A 65 2.459 -6.019 -0.216 1.00 1.00 C ATOM 1054 C LEU A 65 3.909 -5.960 0.286 1.00 1.00 C ATOM 1055 O LEU A 65 4.274 -6.652 1.217 1.00 1.00 O ATOM 1056 CB LEU A 65 1.566 -5.305 0.812 1.00 1.00 C ATOM 1057 CG LEU A 65 0.541 -6.254 1.422 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.080 -5.662 2.754 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.658 -6.379 0.473 1.00 1.00 C ATOM 0 H LEU A 65 2.087 -8.021 0.436 1.00 1.00 H new ATOM 0 HA LEU A 65 2.369 -5.522 -1.182 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.187 -4.882 1.602 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.051 -4.473 0.332 1.00 1.00 H new ATOM 0 HG LEU A 65 0.977 -7.241 1.579 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.655 -6.324 3.211 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.936 -5.555 3.420 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.370 -4.684 2.581 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.394 -7.057 0.905 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.110 -5.398 0.326 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.323 -6.771 -0.487 1.00 1.00 H new ATOM 1071 N PRO A 66 4.714 -5.105 -0.292 1.00 1.00 N ATOM 1072 CA PRO A 66 6.126 -4.918 0.144 1.00 1.00 C ATOM 1073 C PRO A 66 6.167 -4.120 1.450 1.00 1.00 C ATOM 1074 O PRO A 66 5.278 -3.340 1.725 1.00 1.00 O ATOM 1075 CB PRO A 66 6.767 -4.136 -1.004 1.00 1.00 C ATOM 1076 CG PRO A 66 5.643 -3.426 -1.686 1.00 1.00 C ATOM 1077 CD PRO A 66 4.370 -4.229 -1.421 1.00 1.00 C ATOM 0 HA PRO A 66 6.645 -5.856 0.341 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.508 -3.429 -0.631 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.283 -4.804 -1.693 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.543 -2.410 -1.304 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.832 -3.347 -2.757 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.533 -3.576 -1.175 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.076 -4.808 -2.297 1.00 1.00 H new ATOM 1085 N GLN A 67 7.163 -4.310 2.273 1.00 1.00 N ATOM 1086 CA GLN A 67 7.200 -3.547 3.557 1.00 1.00 C ATOM 1087 C GLN A 67 8.640 -3.229 3.954 1.00 1.00 C ATOM 1088 O GLN A 67 9.510 -4.078 3.915 1.00 1.00 O ATOM 1089 CB GLN A 67 6.542 -4.380 4.660 1.00 1.00 C ATOM 1090 CG GLN A 67 6.248 -3.488 5.867 1.00 1.00 C ATOM 1091 CD GLN A 67 5.648 -4.332 6.993 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.653 -5.002 6.800 1.00 1.00 O ATOM 1093 NE2 GLN A 67 6.215 -4.329 8.168 1.00 1.00 N ATOM 0 H GLN A 67 7.942 -4.950 2.117 1.00 1.00 H new ATOM 0 HA GLN A 67 6.660 -2.610 3.423 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.619 -4.827 4.291 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.198 -5.200 4.952 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.164 -3.006 6.208 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.556 -2.694 5.586 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.050 -3.766 8.330 1.00 1.00 H new ATOM 0 HE22 GLN A 67 5.823 -4.889 8.925 1.00 1.00 H new ATOM 1102 N CYS A 68 8.895 -2.010 4.352 1.00 1.00 N ATOM 1103 CA CYS A 68 10.280 -1.630 4.772 1.00 1.00 C ATOM 1104 C CYS A 68 10.384 -1.703 6.299 1.00 1.00 C ATOM 1105 O CYS A 68 9.473 -1.320 7.007 1.00 1.00 O ATOM 1106 CB CYS A 68 10.579 -0.201 4.318 1.00 1.00 C ATOM 1107 SG CYS A 68 10.045 0.011 2.604 1.00 1.00 S ATOM 0 H CYS A 68 8.206 -1.260 4.405 1.00 1.00 H new ATOM 0 HA CYS A 68 10.996 -2.315 4.319 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.063 0.512 4.962 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.646 0.004 4.406 1.00 1.00 H new ATOM 1112 N ASP A 69 11.484 -2.192 6.815 1.00 1.00 N ATOM 1113 CA ASP A 69 11.636 -2.288 8.300 1.00 1.00 C ATOM 1114 C ASP A 69 13.042 -1.834 8.714 1.00 1.00 C ATOM 1115 O ASP A 69 14.028 -2.458 8.380 1.00 1.00 O ATOM 1116 CB ASP A 69 11.424 -3.738 8.738 1.00 1.00 C ATOM 1117 CG ASP A 69 11.267 -3.795 10.259 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.262 -3.624 10.944 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.156 -4.009 10.713 1.00 1.00 O ATOM 0 H ASP A 69 12.281 -2.528 6.274 1.00 1.00 H new ATOM 0 HA ASP A 69 10.897 -1.645 8.777 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.538 -4.149 8.255 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.270 -4.351 8.426 1.00 1.00 H new ATOM 1124 N ARG A 70 13.140 -0.751 9.445 1.00 1.00 N ATOM 1125 CA ARG A 70 14.480 -0.259 9.886 1.00 1.00 C ATOM 1126 C ARG A 70 14.774 -0.768 11.299 1.00 1.00 C ATOM 1127 O ARG A 70 14.103 -0.414 12.248 1.00 1.00 O ATOM 1128 CB ARG A 70 14.487 1.274 9.880 1.00 1.00 C ATOM 1129 CG ARG A 70 15.695 1.794 10.673 1.00 1.00 C ATOM 1130 CD ARG A 70 16.022 3.235 10.256 1.00 1.00 C ATOM 1131 NE ARG A 70 16.363 4.034 11.468 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.232 5.333 11.454 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.808 5.937 10.377 1.00 1.00 N ATOM 1134 NH2 ARG A 70 16.527 6.029 12.518 1.00 1.00 N ATOM 0 H ARG A 70 12.349 -0.187 9.755 1.00 1.00 H new ATOM 0 HA ARG A 70 15.245 -0.629 9.204 1.00 1.00 H new ATOM 0 HB2 ARG A 70 14.528 1.642 8.855 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.563 1.652 10.318 1.00 1.00 H new ATOM 0 HG2 ARG A 70 15.482 1.756 11.741 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.558 1.152 10.498 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.857 3.242 9.555 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.170 3.679 9.742 1.00 1.00 H new ATOM 0 HE ARG A 70 16.699 3.565 12.309 1.00 1.00 H new ATOM 0 HH11 ARG A 70 15.578 5.394 9.545 1.00 1.00 H new ATOM 0 HH12 ARG A 70 15.706 6.952 10.368 1.00 1.00 H new ATOM 0 HH21 ARG A 70 16.860 5.558 13.359 1.00 1.00 H new ATOM 0 HH22 ARG A 70 16.425 7.044 12.508 1.00 1.00 H new ATOM 1148 N ILE A 71 15.776 -1.595 11.442 1.00 1.00 N ATOM 1149 CA ILE A 71 16.129 -2.133 12.790 1.00 1.00 C ATOM 1150 C ILE A 71 17.629 -1.943 13.040 1.00 1.00 C ATOM 1151 O ILE A 71 18.108 -2.113 14.143 1.00 1.00 O ATOM 1152 CB ILE A 71 15.783 -3.622 12.850 1.00 1.00 C ATOM 1153 CG1 ILE A 71 16.004 -4.140 14.274 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.682 -4.397 11.883 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.388 -5.533 14.412 1.00 1.00 C ATOM 0 H ILE A 71 16.368 -1.923 10.679 1.00 1.00 H new ATOM 0 HA ILE A 71 15.565 -1.599 13.555 1.00 1.00 H new ATOM 0 HB ILE A 71 14.740 -3.762 12.568 1.00 1.00 H new ATOM 0 HG12 ILE A 71 17.070 -4.179 14.497 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.552 -3.458 14.995 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.434 -5.458 11.927 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.527 -4.030 10.869 1.00 1.00 H new ATOM 0 HG23 ILE A 71 17.726 -4.256 12.164 1.00 1.00 H new ATOM 0 HD11 ILE A 71 15.545 -5.902 15.426 1.00 1.00 H new ATOM 0 HD12 ILE A 71 14.319 -5.480 14.207 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.860 -6.212 13.702 1.00 1.00 H new ATOM 1167 N LYS A 72 18.374 -1.593 12.023 1.00 1.00 N ATOM 1168 CA LYS A 72 19.843 -1.393 12.198 1.00 1.00 C ATOM 1169 C LYS A 72 20.290 -0.174 11.386 1.00 1.00 C ATOM 1170 O LYS A 72 19.522 0.406 10.646 1.00 1.00 O ATOM 1171 CB LYS A 72 20.588 -2.636 11.705 1.00 1.00 C ATOM 1172 CG LYS A 72 19.964 -3.122 10.394 1.00 1.00 C ATOM 1173 CD LYS A 72 20.924 -4.087 9.695 1.00 1.00 C ATOM 1174 CE LYS A 72 20.224 -4.723 8.494 1.00 1.00 C ATOM 1175 NZ LYS A 72 21.191 -5.576 7.749 1.00 1.00 N ATOM 0 H LYS A 72 18.027 -1.437 11.077 1.00 1.00 H new ATOM 0 HA LYS A 72 20.066 -1.230 13.252 1.00 1.00 H new ATOM 0 HB2 LYS A 72 21.642 -2.404 11.554 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.539 -3.424 12.457 1.00 1.00 H new ATOM 0 HG2 LYS A 72 19.015 -3.619 10.594 1.00 1.00 H new ATOM 0 HG3 LYS A 72 19.749 -2.273 9.745 1.00 1.00 H new ATOM 0 HD2 LYS A 72 21.818 -3.555 9.369 1.00 1.00 H new ATOM 0 HD3 LYS A 72 21.250 -4.860 10.391 1.00 1.00 H new ATOM 0 HE2 LYS A 72 19.377 -5.322 8.829 1.00 1.00 H new ATOM 0 HE3 LYS A 72 19.827 -3.948 7.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 20.715 -6.009 6.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 21.985 -4.992 7.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 21.549 -6.324 8.377 1.00 1.00 H new ATOM 1189 N LEU A 73 21.529 0.218 11.519 1.00 1.00 N ATOM 1190 CA LEU A 73 22.026 1.400 10.756 1.00 1.00 C ATOM 1191 C LEU A 73 21.084 2.588 11.013 1.00 1.00 C ATOM 1192 O LEU A 73 20.080 2.443 11.682 1.00 1.00 O ATOM 1193 CB LEU A 73 22.066 1.053 9.262 1.00 1.00 C ATOM 1194 CG LEU A 73 22.505 -0.405 9.086 1.00 1.00 C ATOM 1195 CD1 LEU A 73 22.699 -0.707 7.597 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.826 -0.634 9.825 1.00 1.00 C ATOM 0 H LEU A 73 22.219 -0.229 12.123 1.00 1.00 H new ATOM 0 HA LEU A 73 23.032 1.669 11.079 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.083 1.204 8.817 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.757 1.717 8.742 1.00 1.00 H new ATOM 0 HG LEU A 73 21.739 -1.064 9.494 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.011 -1.744 7.474 1.00 1.00 H new ATOM 0 HD12 LEU A 73 21.760 -0.545 7.068 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.464 -0.047 7.189 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.138 -1.671 9.700 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.591 0.027 9.417 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.691 -0.421 10.886 1.00 1.00 H new ATOM 1208 N PRO A 74 21.403 3.759 10.510 1.00 1.00 N ATOM 1209 CA PRO A 74 20.570 4.970 10.719 1.00 1.00 C ATOM 1210 C PRO A 74 19.493 5.149 9.641 1.00 1.00 C ATOM 1211 O PRO A 74 18.344 5.402 9.943 1.00 1.00 O ATOM 1212 CB PRO A 74 21.595 6.104 10.658 1.00 1.00 C ATOM 1213 CG PRO A 74 22.707 5.604 9.777 1.00 1.00 C ATOM 1214 CD PRO A 74 22.580 4.072 9.689 1.00 1.00 C ATOM 0 HA PRO A 74 20.010 4.925 11.653 1.00 1.00 H new ATOM 0 HB2 PRO A 74 21.150 7.011 10.249 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.965 6.351 11.653 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.640 6.051 8.785 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.677 5.885 10.188 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.446 3.742 8.659 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.473 3.576 10.069 1.00 1.00 H new ATOM 1222 N CYS A 75 19.853 5.028 8.390 1.00 1.00 N ATOM 1223 CA CYS A 75 18.845 5.200 7.299 1.00 1.00 C ATOM 1224 C CYS A 75 18.848 3.967 6.393 1.00 1.00 C ATOM 1225 O CYS A 75 19.111 4.054 5.210 1.00 1.00 O ATOM 1226 CB CYS A 75 19.195 6.440 6.475 1.00 1.00 C ATOM 1227 SG CYS A 75 17.798 6.866 5.404 1.00 1.00 S ATOM 0 H CYS A 75 20.800 4.818 8.076 1.00 1.00 H new ATOM 0 HA CYS A 75 17.855 5.320 7.738 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.429 7.275 7.136 1.00 1.00 H new ATOM 0 HB3 CYS A 75 20.084 6.251 5.873 1.00 1.00 H new ATOM 1232 N HIS A 76 18.547 2.821 6.941 1.00 1.00 N ATOM 1233 CA HIS A 76 18.516 1.574 6.121 1.00 1.00 C ATOM 1234 C HIS A 76 17.274 0.765 6.499 1.00 1.00 C ATOM 1235 O HIS A 76 16.789 0.848 7.609 1.00 1.00 O ATOM 1236 CB HIS A 76 19.774 0.744 6.400 1.00 1.00 C ATOM 1237 CG HIS A 76 20.014 -0.208 5.261 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.986 -1.586 5.429 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.286 0.002 3.931 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.235 -2.146 4.230 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.424 -1.222 3.287 1.00 1.00 N ATOM 0 H HIS A 76 18.320 2.693 7.927 1.00 1.00 H new ATOM 0 HA HIS A 76 18.484 1.828 5.062 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.635 1.401 6.526 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.657 0.190 7.332 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.378 0.969 3.459 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.276 -3.211 4.054 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.627 -1.380 2.300 1.00 1.00 H new ATOM 1250 N TYR A 77 16.748 -0.008 5.585 1.00 1.00 N ATOM 1251 CA TYR A 77 15.528 -0.810 5.902 1.00 1.00 C ATOM 1252 C TYR A 77 15.667 -2.223 5.339 1.00 1.00 C ATOM 1253 O TYR A 77 16.490 -2.489 4.487 1.00 1.00 O ATOM 1254 CB TYR A 77 14.302 -0.135 5.280 1.00 1.00 C ATOM 1255 CG TYR A 77 14.479 1.362 5.323 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.311 1.994 4.390 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.818 2.118 6.297 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.479 3.382 4.432 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.987 3.506 6.339 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.818 4.139 5.406 1.00 1.00 C ATOM 1261 OH TYR A 77 14.985 5.505 5.448 1.00 1.00 O ATOM 0 H TYR A 77 17.108 -0.119 4.637 1.00 1.00 H new ATOM 0 HA TYR A 77 15.411 -0.867 6.984 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.173 -0.468 4.250 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.401 -0.422 5.822 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.822 1.410 3.639 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.177 1.630 7.017 1.00 1.00 H new ATOM 0 HE1 TYR A 77 16.119 3.870 3.712 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.477 4.090 7.091 1.00 1.00 H new ATOM 0 HH TYR A 77 15.916 5.714 5.671 1.00 1.00 H new ATOM 1271 N LYS A 78 14.849 -3.126 5.808 1.00 1.00 N ATOM 1272 CA LYS A 78 14.899 -4.529 5.309 1.00 1.00 C ATOM 1273 C LYS A 78 13.683 -4.770 4.418 1.00 1.00 C ATOM 1274 O LYS A 78 12.655 -4.139 4.577 1.00 1.00 O ATOM 1275 CB LYS A 78 14.867 -5.497 6.495 1.00 1.00 C ATOM 1276 CG LYS A 78 15.313 -6.888 6.035 1.00 1.00 C ATOM 1277 CD LYS A 78 14.820 -7.941 7.030 1.00 1.00 C ATOM 1278 CE LYS A 78 15.371 -7.625 8.421 1.00 1.00 C ATOM 1279 NZ LYS A 78 15.154 -8.795 9.318 1.00 1.00 N ATOM 0 H LYS A 78 14.142 -2.949 6.522 1.00 1.00 H new ATOM 0 HA LYS A 78 15.816 -4.692 4.743 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.522 -5.138 7.288 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.861 -5.546 6.911 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.916 -7.098 5.042 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.400 -6.926 5.959 1.00 1.00 H new ATOM 0 HD2 LYS A 78 13.730 -7.953 7.053 1.00 1.00 H new ATOM 0 HD3 LYS A 78 15.143 -8.933 6.716 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.434 -7.393 8.359 1.00 1.00 H new ATOM 0 HE3 LYS A 78 14.876 -6.744 8.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 15.528 -8.581 10.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 14.136 -8.996 9.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 15.646 -9.625 8.931 1.00 1.00 H new ATOM 1293 N LEU A 79 13.791 -5.668 3.477 1.00 1.00 N ATOM 1294 CA LEU A 79 12.642 -5.942 2.567 1.00 1.00 C ATOM 1295 C LEU A 79 11.822 -7.117 3.109 1.00 1.00 C ATOM 1296 O LEU A 79 12.330 -8.202 3.314 1.00 1.00 O ATOM 1297 CB LEU A 79 13.176 -6.279 1.168 1.00 1.00 C ATOM 1298 CG LEU A 79 12.271 -5.659 0.098 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.871 -5.903 -1.288 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.881 -6.296 0.174 1.00 1.00 C ATOM 0 H LEU A 79 14.627 -6.225 3.299 1.00 1.00 H new ATOM 0 HA LEU A 79 12.002 -5.061 2.509 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.193 -5.903 1.058 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.220 -7.360 1.037 1.00 1.00 H new ATOM 0 HG LEU A 79 12.189 -4.586 0.271 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.225 -5.461 -2.047 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.859 -5.447 -1.342 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.956 -6.975 -1.464 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.237 -5.855 -0.587 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.963 -7.369 0.003 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.452 -6.117 1.160 1.00 1.00 H new ATOM 1312 N SER A 80 10.553 -6.907 3.337 1.00 1.00 N ATOM 1313 CA SER A 80 9.690 -8.005 3.859 1.00 1.00 C ATOM 1314 C SER A 80 8.291 -7.871 3.255 1.00 1.00 C ATOM 1315 O SER A 80 7.662 -6.836 3.351 1.00 1.00 O ATOM 1316 CB SER A 80 9.599 -7.902 5.383 1.00 1.00 C ATOM 1317 OG SER A 80 8.539 -8.726 5.847 1.00 1.00 O ATOM 0 H SER A 80 10.076 -6.019 3.183 1.00 1.00 H new ATOM 0 HA SER A 80 10.118 -8.970 3.587 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.541 -8.211 5.837 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.427 -6.867 5.679 1.00 1.00 H new ATOM 0 HG SER A 80 8.479 -8.663 6.823 1.00 1.00 H new ATOM 1323 N SER A 81 7.801 -8.906 2.627 1.00 1.00 N ATOM 1324 CA SER A 81 6.443 -8.835 2.010 1.00 1.00 C ATOM 1325 C SER A 81 5.679 -10.129 2.294 1.00 1.00 C ATOM 1326 O SER A 81 6.261 -11.156 2.582 1.00 1.00 O ATOM 1327 CB SER A 81 6.583 -8.651 0.498 1.00 1.00 C ATOM 1328 OG SER A 81 6.707 -9.925 -0.120 1.00 1.00 O ATOM 0 H SER A 81 8.282 -9.798 2.514 1.00 1.00 H new ATOM 0 HA SER A 81 5.897 -7.993 2.434 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.714 -8.125 0.102 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.456 -8.039 0.274 1.00 1.00 H new ATOM 0 HG SER A 81 7.106 -9.820 -1.009 1.00 1.00 H new ATOM 1334 N SER A 82 4.378 -10.087 2.209 1.00 1.00 N ATOM 1335 CA SER A 82 3.571 -11.311 2.467 1.00 1.00 C ATOM 1336 C SER A 82 2.188 -11.141 1.847 1.00 1.00 C ATOM 1337 O SER A 82 1.781 -10.048 1.506 1.00 1.00 O ATOM 1338 CB SER A 82 3.436 -11.530 3.975 1.00 1.00 C ATOM 1339 OG SER A 82 2.481 -10.615 4.499 1.00 1.00 O ATOM 0 H SER A 82 3.838 -9.255 1.971 1.00 1.00 H new ATOM 0 HA SER A 82 4.066 -12.175 2.023 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.125 -12.555 4.179 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.400 -11.386 4.463 1.00 1.00 H new ATOM 0 HG SER A 82 2.391 -10.754 5.465 1.00 1.00 H new ATOM 1345 N THR A 83 1.474 -12.219 1.679 1.00 1.00 N ATOM 1346 CA THR A 83 0.134 -12.140 1.061 1.00 1.00 C ATOM 1347 C THR A 83 -0.947 -12.305 2.132 1.00 1.00 C ATOM 1348 O THR A 83 -1.030 -13.321 2.794 1.00 1.00 O ATOM 1349 CB THR A 83 0.029 -13.267 0.036 1.00 1.00 C ATOM 1350 OG1 THR A 83 0.992 -14.266 0.342 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.300 -12.711 -1.359 1.00 1.00 C ATOM 0 H THR A 83 1.770 -13.157 1.948 1.00 1.00 H new ATOM 0 HA THR A 83 -0.008 -11.172 0.580 1.00 1.00 H new ATOM 0 HB THR A 83 -0.971 -13.699 0.066 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.928 -14.993 -0.312 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.225 -13.515 -2.092 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.433 -11.939 -1.592 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.302 -12.282 -1.392 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.779 -11.316 2.299 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.860 -11.418 3.321 1.00 1.00 C ATOM 1361 C ASN A 84 -3.961 -10.404 3.003 1.00 1.00 C ATOM 1362 O ASN A 84 -3.718 -9.390 2.378 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.282 -11.124 4.706 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.704 -9.707 4.729 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -2.477 -8.705 5.046 1.00 1.00 O flip ATOM 1366 ND2 ASN A 84 -0.536 -9.510 4.453 1.00 1.00 N flip ATOM 0 H ASN A 84 -1.758 -10.442 1.773 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.278 -12.425 3.307 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -3.059 -11.223 5.464 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.505 -11.849 4.949 1.00 1.00 H new ATOM 0 HD21 ASN A 84 0.069 -10.293 4.205 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.161 -8.562 4.469 1.00 1.00 H new ATOM 1373 N THR A 85 -5.171 -10.669 3.424 1.00 1.00 N ATOM 1374 CA THR A 85 -6.281 -9.720 3.149 1.00 1.00 C ATOM 1375 C THR A 85 -5.999 -8.408 3.886 1.00 1.00 C ATOM 1376 O THR A 85 -5.307 -8.387 4.883 1.00 1.00 O ATOM 1377 CB THR A 85 -7.591 -10.342 3.657 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.379 -11.719 3.930 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.685 -10.199 2.601 1.00 1.00 C ATOM 0 H THR A 85 -5.435 -11.504 3.947 1.00 1.00 H new ATOM 0 HA THR A 85 -6.365 -9.520 2.081 1.00 1.00 H new ATOM 0 HB THR A 85 -7.903 -9.826 4.565 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.018 -12.159 3.132 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.609 -10.643 2.972 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.850 -9.143 2.389 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.378 -10.709 1.688 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.511 -7.307 3.398 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.247 -6.001 4.068 1.00 1.00 C ATOM 1389 C ILE A 86 -7.526 -5.159 4.078 1.00 1.00 C ATOM 1390 O ILE A 86 -8.237 -5.072 3.093 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.126 -5.264 3.311 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.719 -4.167 2.415 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.360 -6.264 2.439 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.626 -3.584 1.531 1.00 1.00 C ATOM 0 H ILE A 86 -7.099 -7.257 2.566 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.933 -6.169 5.098 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.453 -4.807 4.036 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.518 -4.579 1.799 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.162 -3.382 3.028 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.566 -5.745 1.902 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.925 -7.039 3.070 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.043 -6.721 1.723 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.048 -2.806 0.896 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -3.842 -3.156 2.156 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.204 -4.372 0.907 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.823 -4.539 5.186 1.00 1.00 N ATOM 1407 CA CYS A 87 -9.047 -3.698 5.270 1.00 1.00 C ATOM 1408 C CYS A 87 -8.720 -2.294 4.774 1.00 1.00 C ATOM 1409 O CYS A 87 -7.689 -1.732 5.084 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.533 -3.649 6.723 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.755 -4.957 6.997 1.00 1.00 S ATOM 0 H CYS A 87 -7.267 -4.580 6.040 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.836 -4.123 4.650 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.691 -3.775 7.404 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.973 -2.675 6.938 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.588 -1.734 3.988 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.339 -0.365 3.450 1.00 1.00 C ATOM 1418 C ILE A 88 -10.685 0.335 3.249 1.00 1.00 C ATOM 1419 O ILE A 88 -11.702 -0.306 3.077 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.569 -0.482 2.115 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.160 0.458 1.056 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.651 -1.919 1.597 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.242 0.499 -0.171 1.00 1.00 C ATOM 0 H ILE A 88 -10.464 -2.163 3.691 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.739 0.222 4.145 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.531 -0.204 2.298 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.154 0.116 0.767 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.275 1.460 1.469 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.107 -1.998 0.656 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.210 -2.595 2.329 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.695 -2.189 1.437 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.666 1.168 -0.920 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.257 0.861 0.123 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.149 -0.503 -0.590 1.00 1.00 H new ATOM 1435 N THR A 89 -10.705 1.644 3.269 1.00 1.00 N ATOM 1436 CA THR A 89 -11.996 2.370 3.074 1.00 1.00 C ATOM 1437 C THR A 89 -12.026 2.957 1.660 1.00 1.00 C ATOM 1438 O THR A 89 -11.053 3.523 1.186 1.00 1.00 O ATOM 1439 CB THR A 89 -12.137 3.474 4.136 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.934 2.988 5.206 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.801 4.720 3.539 1.00 1.00 C ATOM 0 H THR A 89 -9.888 2.238 3.411 1.00 1.00 H new ATOM 0 HA THR A 89 -12.836 1.684 3.188 1.00 1.00 H new ATOM 0 HB THR A 89 -11.144 3.746 4.495 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.774 2.628 4.851 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.891 5.488 4.307 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.193 5.098 2.717 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.792 4.461 3.167 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.139 2.809 0.986 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.266 3.330 -0.407 1.00 1.00 C ATOM 1451 C CYS A 90 -14.535 4.182 -0.524 1.00 1.00 C ATOM 1452 O CYS A 90 -15.507 3.960 0.170 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.359 2.141 -1.368 1.00 1.00 C ATOM 1454 SG CYS A 90 -13.007 2.689 -3.054 1.00 1.00 S ATOM 0 H CYS A 90 -13.973 2.345 1.346 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.400 3.944 -0.654 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.652 1.366 -1.072 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.354 1.699 -1.320 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.534 5.155 -1.398 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.736 6.021 -1.559 1.00 1.00 C ATOM 1461 C VAL A 91 -16.651 5.442 -2.641 1.00 1.00 C ATOM 1462 O VAL A 91 -16.739 4.243 -2.815 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.296 7.431 -1.959 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.357 7.993 -0.891 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.566 7.374 -3.302 1.00 1.00 C ATOM 0 H VAL A 91 -13.750 5.386 -2.008 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.280 6.063 -0.616 1.00 1.00 H new ATOM 0 HB VAL A 91 -16.171 8.075 -2.048 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.043 8.997 -1.175 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.877 8.032 0.066 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.481 7.350 -0.802 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.252 8.378 -3.588 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.690 6.731 -3.213 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -15.235 6.972 -4.063 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.337 6.285 -3.366 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.256 5.789 -4.430 1.00 1.00 C ATOM 1477 C ASN A 92 -17.555 4.742 -5.288 1.00 1.00 C ATOM 1478 O ASN A 92 -18.159 3.794 -5.749 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.697 6.961 -5.310 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.731 7.804 -4.561 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.913 7.528 -4.616 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.333 8.828 -3.856 1.00 1.00 N ATOM 0 H ASN A 92 -17.300 7.299 -3.266 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.128 5.334 -3.961 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.836 7.574 -5.575 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -19.122 6.589 -6.242 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.014 9.396 -3.352 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.341 9.060 -3.809 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.292 4.910 -5.501 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.536 3.928 -6.332 1.00 1.00 C ATOM 1491 C GLN A 93 -14.068 4.354 -6.436 1.00 1.00 C ATOM 1492 O GLN A 93 -13.467 4.280 -7.489 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.147 3.865 -7.735 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.450 5.282 -8.225 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.722 5.255 -9.730 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.004 4.120 -10.309 1.00 1.00 O flip ATOM 1497 NE2 GLN A 93 -16.677 6.277 -10.386 1.00 1.00 N flip ATOM 0 H GLN A 93 -15.739 5.686 -5.137 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.594 2.946 -5.863 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.459 3.371 -8.421 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.061 3.271 -7.719 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.314 5.684 -7.696 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.609 5.941 -8.009 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.457 7.164 -9.934 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -16.860 6.248 -11.389 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.488 4.788 -5.351 1.00 1.00 N ATOM 1507 CA LEU A 94 -12.056 5.217 -5.374 1.00 1.00 C ATOM 1508 C LEU A 94 -11.430 4.913 -4.001 1.00 1.00 C ATOM 1509 O LEU A 94 -11.831 5.476 -3.003 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.983 6.730 -5.646 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.873 6.992 -7.157 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.413 8.389 -7.475 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.407 6.905 -7.593 1.00 1.00 C ATOM 0 H LEU A 94 -13.945 4.865 -4.443 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.517 4.683 -6.156 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.870 7.222 -5.248 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.123 7.159 -5.131 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.455 6.243 -7.693 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.335 8.574 -8.546 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.458 8.453 -7.171 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -11.831 9.136 -6.934 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.334 7.091 -8.664 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.822 7.651 -7.055 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.020 5.911 -7.371 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.460 4.027 -3.937 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.799 3.662 -2.648 1.00 1.00 C ATOM 1527 C PRO A 95 -8.837 4.755 -2.179 1.00 1.00 C ATOM 1528 O PRO A 95 -8.012 5.224 -2.938 1.00 1.00 O ATOM 1529 CB PRO A 95 -9.046 2.373 -2.982 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.756 2.456 -4.445 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.881 3.284 -5.072 1.00 1.00 C ATOM 0 HA PRO A 95 -10.513 3.540 -1.833 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -8.126 2.293 -2.402 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.647 1.494 -2.749 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.787 2.924 -4.621 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.715 1.461 -4.888 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.499 3.960 -5.837 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.624 2.647 -5.552 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.940 5.186 -0.944 1.00 1.00 N ATOM 1540 CA ILE A 96 -8.033 6.268 -0.469 1.00 1.00 C ATOM 1541 C ILE A 96 -7.605 6.046 0.989 1.00 1.00 C ATOM 1542 O ILE A 96 -6.766 6.767 1.492 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.761 7.612 -0.597 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.991 7.630 0.326 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.221 7.802 -2.046 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.579 7.990 1.759 1.00 1.00 C ATOM 0 H ILE A 96 -9.606 4.838 -0.255 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.132 6.262 -1.082 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.082 8.416 -0.312 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.719 8.353 -0.042 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.476 6.654 0.315 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.739 8.756 -2.141 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.354 7.792 -2.707 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.897 6.993 -2.322 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.461 7.999 2.400 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.868 7.251 2.130 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.115 8.976 1.767 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.157 5.077 1.689 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.734 4.878 3.114 1.00 1.00 C ATOM 1560 C HIS A 97 -7.183 3.462 3.318 1.00 1.00 C ATOM 1561 O HIS A 97 -7.675 2.501 2.762 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.939 5.098 4.041 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.783 6.388 4.811 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -8.126 7.562 4.526 1.00 1.00 N flip ATOM 1565 CD2 HIS A 97 -9.361 6.572 6.060 1.00 1.00 C flip ATOM 1566 CE1 HIS A 97 -8.295 8.454 5.578 1.00 1.00 C flip ATOM 1567 NE2 HIS A 97 -9.044 7.812 6.476 1.00 1.00 N flip ATOM 0 H HIS A 97 -8.866 4.430 1.344 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.950 5.597 3.351 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.857 5.126 3.454 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -9.030 4.262 4.734 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -9.957 5.851 6.600 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.902 9.457 5.653 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.340 8.211 7.367 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.165 3.339 4.131 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.559 2.003 4.411 1.00 1.00 C ATOM 1578 C PHE A 98 -5.879 1.613 5.857 1.00 1.00 C ATOM 1579 O PHE A 98 -5.256 2.084 6.787 1.00 1.00 O ATOM 1580 CB PHE A 98 -4.040 2.094 4.232 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.436 0.710 4.252 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.248 0.045 5.469 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -3.056 0.094 3.052 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.682 -1.235 5.486 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -2.489 -1.186 3.071 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.303 -1.851 4.288 1.00 1.00 C ATOM 0 H PHE A 98 -5.723 4.118 4.619 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.962 1.256 3.727 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.805 2.589 3.290 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.607 2.701 5.027 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.539 0.519 6.394 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -3.201 0.607 2.112 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.538 -1.748 6.425 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -2.195 -1.660 2.146 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.867 -2.839 4.303 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.852 0.767 6.054 1.00 1.00 N ATOM 1597 CA ALA A 99 -7.216 0.362 7.443 1.00 1.00 C ATOM 1598 C ALA A 99 -6.000 -0.254 8.144 1.00 1.00 C ATOM 1599 O ALA A 99 -5.387 0.360 8.994 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.356 -0.659 7.392 1.00 1.00 C ATOM 0 H ALA A 99 -7.410 0.339 5.316 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.539 1.241 8.002 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.624 -0.956 8.406 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -9.223 -0.213 6.904 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -8.034 -1.536 6.830 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.647 -1.463 7.798 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.475 -2.111 8.452 1.00 1.00 C ATOM 1608 C GLY A 100 -4.100 -3.385 7.692 1.00 1.00 C ATOM 1609 O GLY A 100 -4.562 -3.623 6.593 1.00 1.00 O ATOM 0 H GLY A 100 -6.119 -2.028 7.092 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.629 -1.424 8.468 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.711 -2.351 9.489 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.265 -4.206 8.269 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.857 -5.465 7.581 1.00 1.00 C ATOM 1615 C VAL A 101 -3.802 -6.599 7.984 1.00 1.00 C ATOM 1616 O VAL A 101 -4.463 -6.538 9.002 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.428 -5.827 7.989 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.886 -6.904 7.048 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.542 -4.583 7.901 1.00 1.00 C ATOM 0 H VAL A 101 -2.847 -4.059 9.188 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.904 -5.319 6.502 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.427 -6.203 9.012 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.132 -7.162 7.339 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.517 -7.791 7.109 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.887 -6.527 6.025 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.477 -4.840 8.192 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.543 -4.207 6.878 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.927 -3.814 8.571 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.871 -7.635 7.193 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.771 -8.774 7.531 1.00 1.00 C ATOM 1631 C GLY A 102 -6.222 -8.291 7.540 1.00 1.00 C ATOM 1632 O GLY A 102 -6.523 -7.189 7.128 1.00 1.00 O ATOM 0 H GLY A 102 -3.343 -7.742 6.327 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.648 -9.577 6.804 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.507 -9.184 8.506 1.00 1.00 H new ATOM 1636 N SER A 103 -7.126 -9.107 8.008 1.00 1.00 N ATOM 1637 CA SER A 103 -8.557 -8.694 8.042 1.00 1.00 C ATOM 1638 C SER A 103 -8.720 -7.493 8.976 1.00 1.00 C ATOM 1639 O SER A 103 -7.794 -7.086 9.648 1.00 1.00 O ATOM 1640 CB SER A 103 -9.411 -9.855 8.553 1.00 1.00 C ATOM 1641 OG SER A 103 -8.982 -10.214 9.860 1.00 1.00 O ATOM 0 H SER A 103 -6.935 -10.042 8.368 1.00 1.00 H new ATOM 0 HA SER A 103 -8.879 -8.420 7.037 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.463 -9.569 8.569 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.323 -10.709 7.882 1.00 1.00 H new ATOM 0 HG SER A 103 -9.529 -10.957 10.191 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.892 -6.920 9.022 1.00 1.00 N ATOM 1648 CA CYS A 104 -10.114 -5.746 9.911 1.00 1.00 C ATOM 1649 C CYS A 104 -9.701 -6.109 11.342 1.00 1.00 C ATOM 1650 O CYS A 104 -9.722 -7.263 11.723 1.00 1.00 O ATOM 1651 CB CYS A 104 -11.598 -5.366 9.882 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.906 -4.243 8.496 1.00 1.00 S ATOM 0 H CYS A 104 -10.705 -7.215 8.482 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.517 -4.902 9.566 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -12.212 -6.261 9.782 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -11.881 -4.889 10.820 1.00 1.00 H new ATOM 1657 N PRO A 105 -9.330 -5.133 12.131 1.00 1.00 N ATOM 1658 CA PRO A 105 -8.909 -5.356 13.541 1.00 1.00 C ATOM 1659 C PRO A 105 -9.752 -6.429 14.238 1.00 1.00 C ATOM 1660 O PRO A 105 -9.304 -6.944 15.248 1.00 1.00 O ATOM 1661 CB PRO A 105 -9.127 -3.990 14.190 1.00 1.00 C ATOM 1662 CG PRO A 105 -8.918 -2.997 13.089 1.00 1.00 C ATOM 1663 CD PRO A 105 -9.269 -3.705 11.772 1.00 1.00 C ATOM 1664 OXT PRO A 105 -10.832 -6.717 13.747 1.00 1.00 O ATOM 0 HA PRO A 105 -7.883 -5.717 13.612 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -10.130 -3.908 14.609 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -8.425 -3.826 15.008 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -9.549 -2.120 13.236 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -7.886 -2.648 13.076 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.221 -3.354 11.373 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -8.515 -3.519 11.007 1.00 1.00 H new TER 1672 PRO A 105