USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -107:sc= -6.5 (180deg=-12.7!) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.0344 K(o=-6.5,f=-8.7!) USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 CYS SG : rot -145:sc= 1.58 USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00956) USER MOD Single : A 5 CYS SG : rot 150:sc= -1.18 USER MOD Single : A 6 CYS SG : rot -69:sc= 0.217 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.257 (180deg=-0.79) USER MOD Single : A 13 MET CE :methyl 147:sc= 0 (180deg=-1.71) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.97! C(o=-2!,f=-4.7!) USER MOD Single : A 26 TYR OH : rot 136:sc= -0.646 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.657 (180deg=0.217) USER MOD Single : A 37 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.0028) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 133:sc= -0.316 (180deg=-1.27) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0351) USER MOD Single : A 54 SER OG : rot -73:sc= 1.15 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 8:sc= -0.0471 USER MOD Single : A 65 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0085) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.332 K(o=-0.33,f=-0.95) USER MOD Single : A 86 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 91 MET CE :methyl 148:sc= -0.121 (180deg=-0.639) USER MOD Single : A 96 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -125:sc= 0 (180deg=-0.426) USER MOD Single : A 108 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 173.160 -17.918 10.666 1.00 0.00 N ATOM 2 CA GLU A 1 173.161 -17.765 9.185 1.00 0.00 C ATOM 3 C GLU A 1 173.742 -16.418 8.770 1.00 0.00 C ATOM 4 O GLU A 1 173.548 -15.411 9.455 1.00 0.00 O ATOM 5 CB GLU A 1 171.723 -17.895 8.672 1.00 0.00 C ATOM 6 CG GLU A 1 171.605 -18.664 7.364 1.00 0.00 C ATOM 7 CD GLU A 1 170.399 -19.583 7.338 1.00 0.00 C ATOM 8 OE1 GLU A 1 170.440 -20.635 8.009 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.412 -19.248 6.650 1.00 0.00 O ATOM 0 H1 GLU A 1 172.759 -18.844 10.919 1.00 0.00 H new ATOM 0 H2 GLU A 1 174.135 -17.854 11.022 1.00 0.00 H new ATOM 0 H3 GLU A 1 172.585 -17.164 11.093 1.00 0.00 H new ATOM 0 HA GLU A 1 173.786 -18.545 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 1 171.120 -18.393 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 1 171.304 -16.898 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.538 -17.958 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 1 172.510 -19.252 7.209 1.00 0.00 H new ATOM 18 N GLN A 2 174.448 -16.406 7.641 1.00 0.00 N ATOM 19 CA GLN A 2 175.053 -15.180 7.126 1.00 0.00 C ATOM 20 C GLN A 2 173.982 -14.136 6.810 1.00 0.00 C ATOM 21 O GLN A 2 174.183 -12.942 7.036 1.00 0.00 O ATOM 22 CB GLN A 2 175.877 -15.474 5.870 1.00 0.00 C ATOM 23 CG GLN A 2 176.961 -16.522 6.077 1.00 0.00 C ATOM 24 CD GLN A 2 177.118 -17.444 4.881 1.00 0.00 C ATOM 25 OE1 GLN A 2 178.110 -17.374 4.157 1.00 0.00 O ATOM 26 NE2 GLN A 2 176.136 -18.315 4.667 1.00 0.00 N ATOM 0 H GLN A 2 174.615 -17.232 7.066 1.00 0.00 H new ATOM 0 HA GLN A 2 175.712 -14.782 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 2 175.207 -15.809 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 2 176.340 -14.549 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.910 -16.024 6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.724 -17.115 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 2 175.331 -18.339 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 2 176.188 -18.959 3.877 1.00 0.00 H new ATOM 35 N LEU A 3 172.842 -14.598 6.291 1.00 0.00 N ATOM 36 CA LEU A 3 171.735 -13.710 5.946 1.00 0.00 C ATOM 37 C LEU A 3 171.178 -13.016 7.191 1.00 0.00 C ATOM 38 O LEU A 3 170.968 -11.802 7.191 1.00 0.00 O ATOM 39 CB LEU A 3 170.622 -14.499 5.251 1.00 0.00 C ATOM 40 CG LEU A 3 170.977 -15.041 3.864 1.00 0.00 C ATOM 41 CD1 LEU A 3 170.421 -16.447 3.679 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.454 -14.108 2.782 1.00 0.00 C ATOM 0 H LEU A 3 172.663 -15.584 6.101 1.00 0.00 H new ATOM 0 HA LEU A 3 172.114 -12.947 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.339 -15.336 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.746 -13.857 5.160 1.00 0.00 H new ATOM 0 HG LEU A 3 172.063 -15.092 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 3 170.684 -16.815 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 3 170.845 -17.108 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 3 169.336 -16.426 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.714 -14.506 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.370 -14.026 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.903 -13.122 2.904 1.00 0.00 H new ATOM 54 N LYS A 4 170.948 -13.795 8.251 1.00 0.00 N ATOM 55 CA LYS A 4 170.421 -13.252 9.505 1.00 0.00 C ATOM 56 C LYS A 4 171.411 -12.273 10.134 1.00 0.00 C ATOM 57 O LYS A 4 171.018 -11.217 10.629 1.00 0.00 O ATOM 58 CB LYS A 4 170.105 -14.378 10.496 1.00 0.00 C ATOM 59 CG LYS A 4 168.807 -14.175 11.265 1.00 0.00 C ATOM 60 CD LYS A 4 168.976 -13.185 12.411 1.00 0.00 C ATOM 61 CE LYS A 4 168.827 -13.862 13.767 1.00 0.00 C ATOM 62 NZ LYS A 4 167.422 -14.286 14.035 1.00 0.00 N ATOM 0 H LYS A 4 171.118 -14.801 8.266 1.00 0.00 H new ATOM 0 HA LYS A 4 169.500 -12.718 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 4 170.051 -15.322 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.927 -14.465 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 4 168.034 -13.815 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.465 -15.132 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.957 -12.716 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.236 -12.390 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 4 169.482 -14.732 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 4 169.154 -13.178 14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 167.352 -14.664 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 166.788 -13.468 13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 167.146 -15.022 13.354 1.00 0.00 H new ATOM 76 N CYS A 5 172.697 -12.633 10.109 1.00 0.00 N ATOM 77 CA CYS A 5 173.746 -11.784 10.675 1.00 0.00 C ATOM 78 C CYS A 5 173.823 -10.447 9.938 1.00 0.00 C ATOM 79 O CYS A 5 173.924 -9.391 10.565 1.00 0.00 O ATOM 80 CB CYS A 5 175.103 -12.491 10.615 1.00 0.00 C ATOM 81 SG CYS A 5 176.121 -12.262 12.093 1.00 0.00 S ATOM 0 H CYS A 5 173.035 -13.506 9.703 1.00 0.00 H new ATOM 0 HA CYS A 5 173.494 -11.592 11.718 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.938 -13.558 10.462 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.653 -12.126 9.748 1.00 0.00 H new ATOM 0 HG CYS A 5 176.877 -13.305 12.265 1.00 0.00 H new ATOM 87 N CYS A 6 173.766 -10.501 8.604 1.00 0.00 N ATOM 88 CA CYS A 6 173.821 -9.292 7.780 1.00 0.00 C ATOM 89 C CYS A 6 172.676 -8.345 8.132 1.00 0.00 C ATOM 90 O CYS A 6 172.859 -7.127 8.180 1.00 0.00 O ATOM 91 CB CYS A 6 173.758 -9.649 6.291 1.00 0.00 C ATOM 92 SG CYS A 6 175.317 -10.257 5.604 1.00 0.00 S ATOM 0 H CYS A 6 173.682 -11.368 8.073 1.00 0.00 H new ATOM 0 HA CYS A 6 174.767 -8.791 7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.989 -10.408 6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.447 -8.767 5.731 1.00 0.00 H new ATOM 0 HG CYS A 6 176.177 -9.284 5.552 1.00 0.00 H new ATOM 98 N SER A 7 171.495 -8.916 8.381 1.00 0.00 N ATOM 99 CA SER A 7 170.317 -8.128 8.735 1.00 0.00 C ATOM 100 C SER A 7 170.577 -7.281 9.979 1.00 0.00 C ATOM 101 O SER A 7 170.174 -6.120 10.040 1.00 0.00 O ATOM 102 CB SER A 7 169.112 -9.043 8.967 1.00 0.00 C ATOM 103 OG SER A 7 167.938 -8.291 9.227 1.00 0.00 O ATOM 0 H SER A 7 171.331 -9.922 8.343 1.00 0.00 H new ATOM 0 HA SER A 7 170.099 -7.458 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.957 -9.673 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.314 -9.708 9.806 1.00 0.00 H new ATOM 0 HG SER A 7 167.184 -8.901 9.370 1.00 0.00 H new ATOM 109 N GLY A 8 171.259 -7.867 10.968 1.00 0.00 N ATOM 110 CA GLY A 8 171.564 -7.149 12.195 1.00 0.00 C ATOM 111 C GLY A 8 172.388 -5.899 11.949 1.00 0.00 C ATOM 112 O GLY A 8 172.079 -4.834 12.485 1.00 0.00 O ATOM 0 H GLY A 8 171.604 -8.826 10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.634 -6.875 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.105 -7.809 12.873 1.00 0.00 H new ATOM 116 N ILE A 9 173.434 -6.024 11.129 1.00 0.00 N ATOM 117 CA ILE A 9 174.295 -4.887 10.809 1.00 0.00 C ATOM 118 C ILE A 9 173.508 -3.817 10.054 1.00 0.00 C ATOM 119 O ILE A 9 173.584 -2.632 10.381 1.00 0.00 O ATOM 120 CB ILE A 9 175.522 -5.308 9.967 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.235 -6.507 10.605 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.485 -4.138 9.815 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.685 -7.550 9.603 1.00 0.00 C ATOM 0 H ILE A 9 173.703 -6.898 10.677 1.00 0.00 H new ATOM 0 HA ILE A 9 174.654 -4.483 11.756 1.00 0.00 H new ATOM 0 HB ILE A 9 175.173 -5.605 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 9 177.103 -6.150 11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.566 -6.974 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.344 -4.449 9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.978 -3.312 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.823 -3.815 10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.181 -8.367 10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.819 -7.936 9.066 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.380 -7.098 8.895 1.00 0.00 H new ATOM 135 N LEU A 10 172.738 -4.247 9.053 1.00 0.00 N ATOM 136 CA LEU A 10 171.919 -3.331 8.262 1.00 0.00 C ATOM 137 C LEU A 10 170.867 -2.650 9.140 1.00 0.00 C ATOM 138 O LEU A 10 170.539 -1.481 8.935 1.00 0.00 O ATOM 139 CB LEU A 10 171.232 -4.076 7.111 1.00 0.00 C ATOM 140 CG LEU A 10 171.876 -3.897 5.732 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.121 -4.708 4.688 1.00 0.00 C ATOM 142 CD2 LEU A 10 171.913 -2.425 5.342 1.00 0.00 C ATOM 0 H LEU A 10 172.665 -5.225 8.772 1.00 0.00 H new ATOM 0 HA LEU A 10 172.576 -2.568 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 10 171.214 -5.140 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.195 -3.745 7.054 1.00 0.00 H new ATOM 0 HG LEU A 10 172.902 -4.262 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.589 -4.572 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.147 -5.764 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.086 -4.370 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 10 172.374 -2.320 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 10 170.897 -2.031 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 10 172.495 -1.868 6.077 1.00 0.00 H new ATOM 154 N LYS A 11 170.339 -3.395 10.117 1.00 0.00 N ATOM 155 CA LYS A 11 169.321 -2.871 11.028 1.00 0.00 C ATOM 156 C LYS A 11 169.825 -1.638 11.774 1.00 0.00 C ATOM 157 O LYS A 11 169.051 -0.732 12.069 1.00 0.00 O ATOM 158 CB LYS A 11 168.896 -3.946 12.032 1.00 0.00 C ATOM 159 CG LYS A 11 167.400 -3.965 12.311 1.00 0.00 C ATOM 160 CD LYS A 11 167.105 -4.045 13.803 1.00 0.00 C ATOM 161 CE LYS A 11 167.144 -5.482 14.308 1.00 0.00 C ATOM 162 NZ LYS A 11 168.530 -6.031 14.332 1.00 0.00 N ATOM 0 H LYS A 11 170.602 -4.364 10.296 1.00 0.00 H new ATOM 0 HA LYS A 11 168.459 -2.580 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.199 -4.923 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.429 -3.787 12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.941 -3.067 11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.946 -4.817 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.833 -3.447 14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.124 -3.615 14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.720 -5.525 15.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.518 -6.107 13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 168.617 -6.721 15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 168.734 -6.499 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 169.208 -5.256 14.481 1.00 0.00 H new ATOM 176 N GLU A 12 171.126 -1.607 12.072 1.00 0.00 N ATOM 177 CA GLU A 12 171.731 -0.474 12.779 1.00 0.00 C ATOM 178 C GLU A 12 171.528 0.829 12.010 1.00 0.00 C ATOM 179 O GLU A 12 171.309 1.882 12.614 1.00 0.00 O ATOM 180 CB GLU A 12 173.226 -0.724 12.999 1.00 0.00 C ATOM 181 CG GLU A 12 173.670 -0.543 14.442 1.00 0.00 C ATOM 182 CD GLU A 12 175.180 -0.560 14.607 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.877 0.114 13.818 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.664 -1.245 15.530 1.00 0.00 O ATOM 0 H GLU A 12 171.781 -2.352 11.835 1.00 0.00 H new ATOM 0 HA GLU A 12 171.237 -0.379 13.746 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.467 -1.738 12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.796 -0.045 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.280 0.402 14.820 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.235 -1.335 15.052 1.00 0.00 H new ATOM 191 N MET A 13 171.587 0.755 10.678 1.00 0.00 N ATOM 192 CA MET A 13 171.393 1.934 9.839 1.00 0.00 C ATOM 193 C MET A 13 170.031 2.574 10.123 1.00 0.00 C ATOM 194 O MET A 13 169.902 3.795 10.120 1.00 0.00 O ATOM 195 CB MET A 13 171.505 1.570 8.356 1.00 0.00 C ATOM 196 CG MET A 13 172.924 1.650 7.813 1.00 0.00 C ATOM 197 SD MET A 13 174.000 0.375 8.497 1.00 0.00 S ATOM 198 CE MET A 13 175.263 0.281 7.232 1.00 0.00 C ATOM 0 H MET A 13 171.767 -0.106 10.162 1.00 0.00 H new ATOM 0 HA MET A 13 172.176 2.653 10.078 1.00 0.00 H new ATOM 0 HB2 MET A 13 171.126 0.559 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.866 2.237 7.778 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.900 1.556 6.727 1.00 0.00 H new ATOM 0 HG3 MET A 13 173.341 2.632 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 13 176.222 0.043 7.692 1.00 0.00 H new ATOM 0 HE2 MET A 13 175.002 -0.497 6.514 1.00 0.00 H new ATOM 0 HE3 MET A 13 175.335 1.240 6.718 1.00 0.00 H new ATOM 208 N PHE A 14 169.019 1.737 10.377 1.00 0.00 N ATOM 209 CA PHE A 14 167.672 2.226 10.673 1.00 0.00 C ATOM 210 C PHE A 14 167.282 1.977 12.139 1.00 0.00 C ATOM 211 O PHE A 14 166.115 2.122 12.508 1.00 0.00 O ATOM 212 CB PHE A 14 166.652 1.563 9.745 1.00 0.00 C ATOM 213 CG PHE A 14 165.941 2.537 8.850 1.00 0.00 C ATOM 214 CD1 PHE A 14 166.497 2.919 7.641 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.716 3.070 9.219 1.00 0.00 C ATOM 216 CE1 PHE A 14 165.846 3.814 6.815 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.060 3.965 8.398 1.00 0.00 C ATOM 218 CZ PHE A 14 164.625 4.337 7.193 1.00 0.00 C ATOM 0 H PHE A 14 169.109 0.721 10.383 1.00 0.00 H new ATOM 0 HA PHE A 14 167.672 3.303 10.505 1.00 0.00 H new ATOM 0 HB2 PHE A 14 167.160 0.820 9.130 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.916 1.030 10.347 1.00 0.00 H new ATOM 0 HD1 PHE A 14 167.451 2.512 7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 14 164.270 2.782 10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 14 166.291 4.105 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.106 4.374 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 14 164.113 5.035 6.548 1.00 0.00 H new ATOM 228 N ALA A 15 168.260 1.616 12.977 1.00 0.00 N ATOM 229 CA ALA A 15 168.003 1.364 14.397 1.00 0.00 C ATOM 230 C ALA A 15 168.323 2.597 15.248 1.00 0.00 C ATOM 231 O ALA A 15 168.497 2.495 16.464 1.00 0.00 O ATOM 232 CB ALA A 15 168.809 0.165 14.879 1.00 0.00 C ATOM 0 H ALA A 15 169.233 1.492 12.697 1.00 0.00 H new ATOM 0 HA ALA A 15 166.942 1.144 14.510 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.606 -0.008 15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.526 -0.718 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.872 0.362 14.741 1.00 0.00 H new ATOM 238 N LYS A 16 168.408 3.758 14.592 1.00 0.00 N ATOM 239 CA LYS A 16 168.713 5.025 15.261 1.00 0.00 C ATOM 240 C LYS A 16 170.181 5.088 15.695 1.00 0.00 C ATOM 241 O LYS A 16 170.531 5.814 16.627 1.00 0.00 O ATOM 242 CB LYS A 16 167.785 5.244 16.469 1.00 0.00 C ATOM 243 CG LYS A 16 166.860 6.443 16.321 1.00 0.00 C ATOM 244 CD LYS A 16 165.613 6.093 15.522 1.00 0.00 C ATOM 245 CE LYS A 16 164.433 5.777 16.431 1.00 0.00 C ATOM 246 NZ LYS A 16 163.202 5.449 15.657 1.00 0.00 N ATOM 0 H LYS A 16 168.268 3.846 13.585 1.00 0.00 H new ATOM 0 HA LYS A 16 168.540 5.826 14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.183 4.348 16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.393 5.374 17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.571 6.804 17.308 1.00 0.00 H new ATOM 0 HG3 LYS A 16 167.393 7.256 15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 16 165.355 6.925 14.867 1.00 0.00 H new ATOM 0 HD3 LYS A 16 165.820 5.235 14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.689 4.938 17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.236 6.631 17.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 162.424 5.241 16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 162.942 6.259 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 163.380 4.618 15.057 1.00 0.00 H new ATOM 260 N LYS A 17 171.038 4.333 15.004 1.00 0.00 N ATOM 261 CA LYS A 17 172.468 4.313 15.311 1.00 0.00 C ATOM 262 C LYS A 17 173.295 4.800 14.117 1.00 0.00 C ATOM 263 O LYS A 17 174.326 5.451 14.295 1.00 0.00 O ATOM 264 CB LYS A 17 172.904 2.905 15.726 1.00 0.00 C ATOM 265 CG LYS A 17 172.270 2.429 17.027 1.00 0.00 C ATOM 266 CD LYS A 17 172.615 0.978 17.323 1.00 0.00 C ATOM 267 CE LYS A 17 171.480 0.042 16.935 1.00 0.00 C ATOM 268 NZ LYS A 17 171.296 -1.055 17.926 1.00 0.00 N ATOM 0 H LYS A 17 170.766 3.728 14.229 1.00 0.00 H new ATOM 0 HA LYS A 17 172.645 4.994 16.143 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.649 2.205 14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.989 2.886 15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.610 3.059 17.849 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.187 2.541 16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 17 173.518 0.700 16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.834 0.865 18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 17 170.554 0.611 16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.683 -0.387 15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.513 -1.669 17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 172.170 -1.615 17.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 171.076 -0.648 18.858 1.00 0.00 H new ATOM 282 N HIS A 18 172.829 4.493 12.904 1.00 0.00 N ATOM 283 CA HIS A 18 173.514 4.909 11.684 1.00 0.00 C ATOM 284 C HIS A 18 172.530 5.526 10.685 1.00 0.00 C ATOM 285 O HIS A 18 172.801 5.573 9.483 1.00 0.00 O ATOM 286 CB HIS A 18 174.222 3.714 11.044 1.00 0.00 C ATOM 287 CG HIS A 18 175.698 3.694 11.281 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.493 4.816 11.188 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.524 2.678 11.617 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.743 4.492 11.458 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.791 3.199 11.723 1.00 0.00 N ATOM 0 H HIS A 18 171.977 3.956 12.743 1.00 0.00 H new ATOM 0 HA HIS A 18 174.253 5.665 11.951 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.788 2.794 11.434 1.00 0.00 H new ATOM 0 HB3 HIS A 18 174.035 3.724 9.970 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.166 5.752 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 18 176.241 1.648 11.773 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.584 5.169 11.462 1.00 0.00 H new ATOM 300 N ALA A 19 171.387 5.998 11.188 1.00 0.00 N ATOM 301 CA ALA A 19 170.367 6.606 10.339 1.00 0.00 C ATOM 302 C ALA A 19 170.796 7.984 9.853 1.00 0.00 C ATOM 303 O ALA A 19 170.481 8.375 8.733 1.00 0.00 O ATOM 304 CB ALA A 19 169.041 6.696 11.080 1.00 0.00 C ATOM 0 H ALA A 19 171.147 5.970 12.179 1.00 0.00 H new ATOM 0 HA ALA A 19 170.240 5.967 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.292 7.152 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.714 5.696 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 19 169.165 7.305 11.975 1.00 0.00 H new ATOM 310 N ALA A 20 171.521 8.715 10.698 1.00 0.00 N ATOM 311 CA ALA A 20 171.993 10.051 10.337 1.00 0.00 C ATOM 312 C ALA A 20 173.112 9.977 9.301 1.00 0.00 C ATOM 313 O ALA A 20 173.160 10.779 8.368 1.00 0.00 O ATOM 314 CB ALA A 20 172.467 10.805 11.572 1.00 0.00 C ATOM 0 H ALA A 20 171.793 8.407 11.632 1.00 0.00 H new ATOM 0 HA ALA A 20 171.156 10.593 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.814 11.797 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.642 10.901 12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.284 10.257 12.041 1.00 0.00 H new ATOM 320 N TYR A 21 174.008 9.006 9.474 1.00 0.00 N ATOM 321 CA TYR A 21 175.128 8.817 8.563 1.00 0.00 C ATOM 322 C TYR A 21 174.662 8.220 7.233 1.00 0.00 C ATOM 323 O TYR A 21 175.215 8.539 6.179 1.00 0.00 O ATOM 324 CB TYR A 21 176.179 7.914 9.209 1.00 0.00 C ATOM 325 CG TYR A 21 176.697 8.428 10.538 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.014 8.169 11.722 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.869 9.172 10.609 1.00 0.00 C ATOM 328 CE1 TYR A 21 176.484 8.635 12.935 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.345 9.641 11.819 1.00 0.00 C ATOM 330 CZ TYR A 21 177.650 9.370 12.979 1.00 0.00 C ATOM 331 OH TYR A 21 178.126 9.835 14.185 1.00 0.00 O ATOM 0 H TYR A 21 173.976 8.336 10.243 1.00 0.00 H new ATOM 0 HA TYR A 21 175.570 9.792 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.751 6.922 9.356 1.00 0.00 H new ATOM 0 HB3 TYR A 21 177.018 7.801 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.100 7.594 11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.417 9.387 9.704 1.00 0.00 H new ATOM 0 HE1 TYR A 21 175.941 8.425 13.844 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.258 10.217 11.856 1.00 0.00 H new ATOM 0 HH TYR A 21 178.957 10.333 14.039 1.00 0.00 H new ATOM 341 N ALA A 22 173.644 7.357 7.287 1.00 0.00 N ATOM 342 CA ALA A 22 173.107 6.723 6.082 1.00 0.00 C ATOM 343 C ALA A 22 171.691 7.219 5.761 1.00 0.00 C ATOM 344 O ALA A 22 170.893 6.494 5.161 1.00 0.00 O ATOM 345 CB ALA A 22 173.116 5.207 6.236 1.00 0.00 C ATOM 0 H ALA A 22 173.176 7.082 8.151 1.00 0.00 H new ATOM 0 HA ALA A 22 173.750 7.001 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.714 4.747 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 174.138 4.863 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.502 4.924 7.091 1.00 0.00 H new ATOM 351 N TRP A 23 171.385 8.457 6.156 1.00 0.00 N ATOM 352 CA TRP A 23 170.066 9.039 5.902 1.00 0.00 C ATOM 353 C TRP A 23 169.851 9.291 4.408 1.00 0.00 C ATOM 354 O TRP A 23 168.845 8.858 3.844 1.00 0.00 O ATOM 355 CB TRP A 23 169.889 10.342 6.686 1.00 0.00 C ATOM 356 CG TRP A 23 168.490 10.555 7.180 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.902 9.962 8.261 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.501 11.422 6.612 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.612 10.411 8.403 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.342 11.307 7.403 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.483 12.285 5.512 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.181 12.025 7.130 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.329 12.995 5.242 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.192 12.862 6.049 1.00 0.00 C ATOM 0 H TRP A 23 172.030 9.073 6.651 1.00 0.00 H new ATOM 0 HA TRP A 23 169.318 8.322 6.239 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.570 10.341 7.537 1.00 0.00 H new ATOM 0 HB3 TRP A 23 170.174 11.181 6.051 1.00 0.00 H new ATOM 0 HD1 TRP A 23 168.382 9.244 8.910 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.961 10.124 9.134 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.355 12.395 4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.303 11.924 7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 166.303 13.664 4.394 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.306 13.432 5.813 1.00 0.00 H new ATOM 375 N PRO A 24 170.794 9.995 3.742 1.00 0.00 N ATOM 376 CA PRO A 24 170.692 10.292 2.312 1.00 0.00 C ATOM 377 C PRO A 24 171.236 9.165 1.425 1.00 0.00 C ATOM 378 O PRO A 24 171.409 9.350 0.218 1.00 0.00 O ATOM 379 CB PRO A 24 171.555 11.542 2.177 1.00 0.00 C ATOM 380 CG PRO A 24 172.629 11.370 3.200 1.00 0.00 C ATOM 381 CD PRO A 24 172.033 10.558 4.324 1.00 0.00 C ATOM 0 HA PRO A 24 169.658 10.415 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.973 11.629 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.974 12.446 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.493 10.862 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.976 12.337 3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.713 9.772 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.819 11.178 5.194 1.00 0.00 H new ATOM 389 N PHE A 25 171.505 8.003 2.026 1.00 0.00 N ATOM 390 CA PHE A 25 172.029 6.859 1.292 1.00 0.00 C ATOM 391 C PHE A 25 171.213 5.599 1.593 1.00 0.00 C ATOM 392 O PHE A 25 171.756 4.576 2.013 1.00 0.00 O ATOM 393 CB PHE A 25 173.502 6.641 1.653 1.00 0.00 C ATOM 394 CG PHE A 25 174.464 7.168 0.624 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.627 8.534 0.440 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.207 6.298 -0.157 1.00 0.00 C ATOM 397 CE1 PHE A 25 175.514 9.019 -0.502 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.093 6.778 -1.101 1.00 0.00 C ATOM 399 CZ PHE A 25 176.247 8.139 -1.274 1.00 0.00 C ATOM 0 H PHE A 25 171.366 7.834 3.022 1.00 0.00 H new ATOM 0 HA PHE A 25 171.951 7.064 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.707 7.123 2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.679 5.574 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 25 174.054 9.226 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.092 5.232 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 25 175.634 10.084 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.666 6.089 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.940 8.515 -2.012 1.00 0.00 H new ATOM 409 N TYR A 26 169.901 5.682 1.374 1.00 0.00 N ATOM 410 CA TYR A 26 169.008 4.552 1.619 1.00 0.00 C ATOM 411 C TYR A 26 167.980 4.413 0.497 1.00 0.00 C ATOM 412 O TYR A 26 167.971 3.414 -0.224 1.00 0.00 O ATOM 413 CB TYR A 26 168.303 4.709 2.970 1.00 0.00 C ATOM 414 CG TYR A 26 168.415 3.490 3.860 1.00 0.00 C ATOM 415 CD1 TYR A 26 169.584 3.225 4.563 1.00 0.00 C ATOM 416 CD2 TYR A 26 167.353 2.605 3.997 1.00 0.00 C ATOM 417 CE1 TYR A 26 169.690 2.114 5.378 1.00 0.00 C ATOM 418 CE2 TYR A 26 167.451 1.491 4.810 1.00 0.00 C ATOM 419 CZ TYR A 26 168.621 1.250 5.499 1.00 0.00 C ATOM 420 OH TYR A 26 168.720 0.143 6.313 1.00 0.00 O ATOM 0 H TYR A 26 169.434 6.520 1.028 1.00 0.00 H new ATOM 0 HA TYR A 26 169.611 3.644 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.724 5.569 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.249 4.926 2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 26 170.423 3.898 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 26 166.435 2.790 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 26 170.606 1.923 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 26 166.616 0.813 4.905 1.00 0.00 H new ATOM 0 HH TYR A 26 167.900 0.052 6.842 1.00 0.00 H new ATOM 430 N LYS A 27 167.118 5.421 0.353 1.00 0.00 N ATOM 431 CA LYS A 27 166.086 5.409 -0.684 1.00 0.00 C ATOM 432 C LYS A 27 166.715 5.465 -2.079 1.00 0.00 C ATOM 433 O LYS A 27 167.730 6.135 -2.283 1.00 0.00 O ATOM 434 CB LYS A 27 165.122 6.586 -0.497 1.00 0.00 C ATOM 435 CG LYS A 27 164.552 6.697 0.913 1.00 0.00 C ATOM 436 CD LYS A 27 164.794 8.076 1.512 1.00 0.00 C ATOM 437 CE LYS A 27 165.852 8.036 2.607 1.00 0.00 C ATOM 438 NZ LYS A 27 166.018 9.359 3.275 1.00 0.00 N ATOM 0 H LYS A 27 167.114 6.255 0.941 1.00 0.00 H new ATOM 0 HA LYS A 27 165.527 4.477 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.642 7.512 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.299 6.485 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 27 163.481 6.493 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 165.007 5.939 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 27 165.108 8.764 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.861 8.464 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 27 165.576 7.287 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 27 166.805 7.724 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 166.998 9.460 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 165.802 10.119 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 165.370 9.422 4.086 1.00 0.00 H new ATOM 452 N PRO A 28 166.119 4.752 -3.059 1.00 0.00 N ATOM 453 CA PRO A 28 166.625 4.713 -4.440 1.00 0.00 C ATOM 454 C PRO A 28 166.726 6.100 -5.075 1.00 0.00 C ATOM 455 O PRO A 28 166.034 7.034 -4.663 1.00 0.00 O ATOM 456 CB PRO A 28 165.585 3.865 -5.182 1.00 0.00 C ATOM 457 CG PRO A 28 164.928 3.053 -4.121 1.00 0.00 C ATOM 458 CD PRO A 28 164.911 3.922 -2.896 1.00 0.00 C ATOM 0 HA PRO A 28 167.637 4.310 -4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 28 164.863 4.493 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.055 3.229 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 28 163.917 2.770 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.477 2.129 -3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.008 4.530 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 28 164.949 3.330 -1.981 1.00 0.00 H new ATOM 466 N VAL A 29 167.588 6.222 -6.084 1.00 0.00 N ATOM 467 CA VAL A 29 167.777 7.492 -6.781 1.00 0.00 C ATOM 468 C VAL A 29 166.912 7.561 -8.041 1.00 0.00 C ATOM 469 O VAL A 29 167.372 7.263 -9.146 1.00 0.00 O ATOM 470 CB VAL A 29 169.259 7.735 -7.150 1.00 0.00 C ATOM 471 CG1 VAL A 29 170.066 8.086 -5.907 1.00 0.00 C ATOM 472 CG2 VAL A 29 169.859 6.524 -7.857 1.00 0.00 C ATOM 0 H VAL A 29 168.165 5.458 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 29 167.467 8.278 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 29 169.300 8.577 -7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 171.107 8.254 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 29 169.661 8.991 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.009 7.265 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 170.901 6.726 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.803 5.655 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.302 6.324 -8.772 1.00 0.00 H new ATOM 482 N ASP A 30 165.649 7.956 -7.861 1.00 0.00 N ATOM 483 CA ASP A 30 164.703 8.069 -8.971 1.00 0.00 C ATOM 484 C ASP A 30 165.167 9.115 -9.982 1.00 0.00 C ATOM 485 O ASP A 30 165.095 10.316 -9.721 1.00 0.00 O ATOM 486 CB ASP A 30 163.312 8.435 -8.445 1.00 0.00 C ATOM 487 CG ASP A 30 162.589 7.248 -7.840 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.784 6.987 -6.635 1.00 0.00 O ATOM 489 OD2 ASP A 30 161.827 6.581 -8.572 1.00 0.00 O ATOM 0 H ASP A 30 165.258 8.204 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 30 164.655 7.103 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.406 9.220 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.715 8.843 -9.260 1.00 0.00 H new ATOM 494 N VAL A 31 165.646 8.651 -11.136 1.00 0.00 N ATOM 495 CA VAL A 31 166.124 9.550 -12.183 1.00 0.00 C ATOM 496 C VAL A 31 165.008 10.472 -12.689 1.00 0.00 C ATOM 497 O VAL A 31 165.249 11.647 -12.965 1.00 0.00 O ATOM 498 CB VAL A 31 166.741 8.764 -13.365 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.704 7.885 -14.052 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.393 9.711 -14.363 1.00 0.00 C ATOM 0 H VAL A 31 165.713 7.660 -11.368 1.00 0.00 H new ATOM 0 HA VAL A 31 166.902 10.169 -11.736 1.00 0.00 H new ATOM 0 HB VAL A 31 167.512 8.109 -12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.172 7.348 -14.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.301 7.170 -13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 31 164.896 8.508 -14.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 167.820 9.136 -15.185 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.644 10.401 -14.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.183 10.275 -13.867 1.00 0.00 H new ATOM 510 N GLU A 32 163.789 9.938 -12.804 1.00 0.00 N ATOM 511 CA GLU A 32 162.644 10.724 -13.267 1.00 0.00 C ATOM 512 C GLU A 32 162.185 11.726 -12.204 1.00 0.00 C ATOM 513 O GLU A 32 161.904 12.885 -12.514 1.00 0.00 O ATOM 514 CB GLU A 32 161.484 9.804 -13.661 1.00 0.00 C ATOM 515 CG GLU A 32 161.687 9.131 -15.012 1.00 0.00 C ATOM 516 CD GLU A 32 160.931 7.821 -15.153 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.758 7.113 -14.137 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.515 7.500 -16.286 1.00 0.00 O ATOM 0 H GLU A 32 163.571 8.966 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 32 162.964 11.286 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.360 9.038 -12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.561 10.383 -13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 32 161.368 9.813 -15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 32 162.751 8.946 -15.161 1.00 0.00 H new ATOM 525 N ALA A 33 162.101 11.271 -10.950 1.00 0.00 N ATOM 526 CA ALA A 33 161.664 12.127 -9.846 1.00 0.00 C ATOM 527 C ALA A 33 162.722 13.167 -9.476 1.00 0.00 C ATOM 528 O ALA A 33 162.412 14.350 -9.338 1.00 0.00 O ATOM 529 CB ALA A 33 161.306 11.288 -8.626 1.00 0.00 C ATOM 0 H ALA A 33 162.330 10.316 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 33 160.777 12.662 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 33 160.984 11.943 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.499 10.601 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.179 10.719 -8.307 1.00 0.00 H new ATOM 535 N LEU A 34 163.966 12.720 -9.307 1.00 0.00 N ATOM 536 CA LEU A 34 165.061 13.620 -8.940 1.00 0.00 C ATOM 537 C LEU A 34 165.618 14.371 -10.151 1.00 0.00 C ATOM 538 O LEU A 34 166.242 15.422 -9.997 1.00 0.00 O ATOM 539 CB LEU A 34 166.189 12.837 -8.264 1.00 0.00 C ATOM 540 CG LEU A 34 165.799 12.115 -6.972 1.00 0.00 C ATOM 541 CD1 LEU A 34 166.884 11.128 -6.565 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.540 13.122 -5.858 1.00 0.00 C ATOM 0 H LEU A 34 164.241 11.744 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 34 164.653 14.355 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.573 12.101 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.006 13.525 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 34 164.880 11.557 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.590 10.624 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.020 10.390 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 34 167.820 11.663 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.264 12.593 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.442 13.707 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.728 13.788 -6.151 1.00 0.00 H new ATOM 554 N GLY A 35 165.395 13.831 -11.351 1.00 0.00 N ATOM 555 CA GLY A 35 165.891 14.473 -12.558 1.00 0.00 C ATOM 556 C GLY A 35 167.401 14.402 -12.672 1.00 0.00 C ATOM 557 O GLY A 35 168.067 15.433 -12.776 1.00 0.00 O ATOM 0 H GLY A 35 164.881 12.964 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.441 13.998 -13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.577 15.517 -12.566 1.00 0.00 H new ATOM 561 N LEU A 36 167.946 13.184 -12.651 1.00 0.00 N ATOM 562 CA LEU A 36 169.392 12.992 -12.750 1.00 0.00 C ATOM 563 C LEU A 36 169.748 12.025 -13.880 1.00 0.00 C ATOM 564 O LEU A 36 170.302 10.949 -13.645 1.00 0.00 O ATOM 565 CB LEU A 36 169.970 12.490 -11.415 1.00 0.00 C ATOM 566 CG LEU A 36 169.074 11.537 -10.612 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.292 10.095 -11.049 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.343 11.689 -9.121 1.00 0.00 C ATOM 0 H LEU A 36 167.410 12.320 -12.567 1.00 0.00 H new ATOM 0 HA LEU A 36 169.837 13.960 -12.980 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.915 11.985 -11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.198 13.355 -10.792 1.00 0.00 H new ATOM 0 HG LEU A 36 168.034 11.798 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.647 9.437 -10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.052 9.995 -12.107 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.334 9.819 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.700 11.007 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.387 11.454 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.134 12.715 -8.816 1.00 0.00 H new ATOM 580 N HIS A 37 169.439 12.423 -15.116 1.00 0.00 N ATOM 581 CA HIS A 37 169.739 11.595 -16.285 1.00 0.00 C ATOM 582 C HIS A 37 171.249 11.476 -16.522 1.00 0.00 C ATOM 583 O HIS A 37 171.691 10.630 -17.302 1.00 0.00 O ATOM 584 CB HIS A 37 169.063 12.163 -17.536 1.00 0.00 C ATOM 585 CG HIS A 37 167.567 12.141 -17.473 1.00 0.00 C ATOM 586 ND1 HIS A 37 166.794 13.282 -17.514 1.00 0.00 N ATOM 587 CD2 HIS A 37 166.700 11.106 -17.367 1.00 0.00 C ATOM 588 CE1 HIS A 37 165.518 12.950 -17.435 1.00 0.00 C ATOM 589 NE2 HIS A 37 165.433 11.635 -17.345 1.00 0.00 N ATOM 0 H HIS A 37 168.983 13.309 -15.332 1.00 0.00 H new ATOM 0 HA HIS A 37 169.346 10.598 -16.084 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.397 13.190 -17.684 1.00 0.00 H new ATOM 0 HB3 HIS A 37 169.390 11.593 -18.406 1.00 0.00 H new ATOM 0 HD2 HIS A 37 166.957 10.059 -17.310 1.00 0.00 H new ATOM 0 HE1 HIS A 37 164.685 13.637 -17.443 1.00 0.00 H new ATOM 0 HE2 HIS A 37 164.568 11.100 -17.271 1.00 0.00 H new ATOM 598 N ASP A 38 172.040 12.319 -15.846 1.00 0.00 N ATOM 599 CA ASP A 38 173.494 12.291 -15.993 1.00 0.00 C ATOM 600 C ASP A 38 174.105 11.112 -15.234 1.00 0.00 C ATOM 601 O ASP A 38 175.226 10.694 -15.529 1.00 0.00 O ATOM 602 CB ASP A 38 174.109 13.604 -15.496 1.00 0.00 C ATOM 603 CG ASP A 38 174.091 14.699 -16.549 1.00 0.00 C ATOM 604 OD1 ASP A 38 173.066 14.837 -17.250 1.00 0.00 O ATOM 605 OD2 ASP A 38 175.103 15.422 -16.668 1.00 0.00 O ATOM 0 H ASP A 38 171.696 13.025 -15.195 1.00 0.00 H new ATOM 0 HA ASP A 38 173.717 12.170 -17.053 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.564 13.944 -14.615 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.138 13.423 -15.184 1.00 0.00 H new ATOM 610 N TYR A 39 173.362 10.570 -14.265 1.00 0.00 N ATOM 611 CA TYR A 39 173.835 9.431 -13.482 1.00 0.00 C ATOM 612 C TYR A 39 174.122 8.233 -14.387 1.00 0.00 C ATOM 613 O TYR A 39 175.062 7.476 -14.144 1.00 0.00 O ATOM 614 CB TYR A 39 172.800 9.044 -12.424 1.00 0.00 C ATOM 615 CG TYR A 39 173.405 8.559 -11.124 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.158 7.391 -11.074 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.214 9.266 -9.945 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.706 6.946 -9.886 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.758 8.828 -8.753 1.00 0.00 C ATOM 620 CZ TYR A 39 174.501 7.667 -8.728 1.00 0.00 C ATOM 621 OH TYR A 39 175.041 7.225 -7.541 1.00 0.00 O ATOM 0 H TYR A 39 172.433 10.902 -14.006 1.00 0.00 H new ATOM 0 HA TYR A 39 174.760 9.724 -12.985 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.165 9.906 -12.219 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.156 8.263 -12.828 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.317 6.822 -11.978 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.630 10.174 -9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.292 6.039 -9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.602 9.392 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 39 174.804 7.847 -6.822 1.00 0.00 H new ATOM 631 N CYS A 40 173.307 8.072 -15.435 1.00 0.00 N ATOM 632 CA CYS A 40 173.475 6.971 -16.383 1.00 0.00 C ATOM 633 C CYS A 40 174.799 7.095 -17.135 1.00 0.00 C ATOM 634 O CYS A 40 175.474 6.095 -17.387 1.00 0.00 O ATOM 635 CB CYS A 40 172.312 6.936 -17.378 1.00 0.00 C ATOM 636 SG CYS A 40 171.971 5.294 -18.052 1.00 0.00 S ATOM 0 H CYS A 40 172.525 8.692 -15.646 1.00 0.00 H new ATOM 0 HA CYS A 40 173.484 6.040 -15.816 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.414 7.309 -16.885 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.530 7.617 -18.201 1.00 0.00 H new ATOM 0 HG CYS A 40 170.972 5.364 -18.881 1.00 0.00 H new ATOM 642 N ASP A 41 175.170 8.330 -17.485 1.00 0.00 N ATOM 643 CA ASP A 41 176.420 8.581 -18.199 1.00 0.00 C ATOM 644 C ASP A 41 177.619 8.267 -17.308 1.00 0.00 C ATOM 645 O ASP A 41 178.614 7.707 -17.769 1.00 0.00 O ATOM 646 CB ASP A 41 176.489 10.036 -18.680 1.00 0.00 C ATOM 647 CG ASP A 41 177.342 10.204 -19.928 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.299 9.318 -20.808 1.00 0.00 O ATOM 649 OD2 ASP A 41 178.052 11.228 -20.025 1.00 0.00 O ATOM 0 H ASP A 41 174.623 9.167 -17.285 1.00 0.00 H new ATOM 0 HA ASP A 41 176.449 7.926 -19.070 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.480 10.395 -18.884 1.00 0.00 H new ATOM 0 HB3 ASP A 41 176.894 10.659 -17.882 1.00 0.00 H new ATOM 654 N ILE A 42 177.513 8.624 -16.026 1.00 0.00 N ATOM 655 CA ILE A 42 178.587 8.373 -15.067 1.00 0.00 C ATOM 656 C ILE A 42 178.654 6.888 -14.694 1.00 0.00 C ATOM 657 O ILE A 42 179.739 6.307 -14.643 1.00 0.00 O ATOM 658 CB ILE A 42 178.420 9.217 -13.781 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.211 10.695 -14.128 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.634 9.058 -12.873 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.750 11.531 -12.954 1.00 0.00 C ATOM 0 H ILE A 42 176.695 9.087 -15.630 1.00 0.00 H new ATOM 0 HA ILE A 42 179.517 8.666 -15.554 1.00 0.00 H new ATOM 0 HB ILE A 42 177.539 8.856 -13.251 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.145 11.106 -14.512 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.476 10.772 -14.929 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.497 9.659 -11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.746 8.010 -12.595 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.528 9.391 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.622 12.566 -13.272 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.800 11.146 -12.584 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.495 11.485 -12.160 1.00 0.00 H new ATOM 673 N ILE A 43 177.490 6.279 -14.433 1.00 0.00 N ATOM 674 CA ILE A 43 177.425 4.862 -14.065 1.00 0.00 C ATOM 675 C ILE A 43 176.266 4.153 -14.770 1.00 0.00 C ATOM 676 O ILE A 43 175.158 4.687 -14.850 1.00 0.00 O ATOM 677 CB ILE A 43 177.270 4.678 -12.538 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.330 5.488 -11.781 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.366 3.205 -12.168 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.810 6.790 -11.211 1.00 0.00 C ATOM 0 H ILE A 43 176.584 6.745 -14.470 1.00 0.00 H new ATOM 0 HA ILE A 43 178.367 4.416 -14.385 1.00 0.00 H new ATOM 0 HB ILE A 43 176.286 5.047 -12.249 1.00 0.00 H new ATOM 0 HG12 ILE A 43 178.728 4.879 -10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.160 5.702 -12.454 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.255 3.093 -11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.576 2.651 -12.674 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.336 2.815 -12.475 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.616 7.307 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.439 7.419 -12.020 1.00 0.00 H new ATOM 0 HD13 ILE A 43 177.000 6.583 -10.511 1.00 0.00 H new ATOM 692 N LYS A 44 176.529 2.942 -15.273 1.00 0.00 N ATOM 693 CA LYS A 44 175.508 2.152 -15.966 1.00 0.00 C ATOM 694 C LYS A 44 174.783 1.194 -15.011 1.00 0.00 C ATOM 695 O LYS A 44 173.642 0.806 -15.270 1.00 0.00 O ATOM 696 CB LYS A 44 176.132 1.357 -17.122 1.00 0.00 C ATOM 697 CG LYS A 44 177.138 0.304 -16.677 1.00 0.00 C ATOM 698 CD LYS A 44 177.380 -0.738 -17.760 1.00 0.00 C ATOM 699 CE LYS A 44 178.162 -1.926 -17.218 1.00 0.00 C ATOM 700 NZ LYS A 44 178.353 -2.994 -18.243 1.00 0.00 N ATOM 0 H LYS A 44 177.441 2.488 -15.213 1.00 0.00 H new ATOM 0 HA LYS A 44 174.774 2.853 -16.364 1.00 0.00 H new ATOM 0 HB2 LYS A 44 175.336 0.869 -17.685 1.00 0.00 H new ATOM 0 HB3 LYS A 44 176.625 2.051 -17.802 1.00 0.00 H new ATOM 0 HG2 LYS A 44 178.081 0.787 -16.420 1.00 0.00 H new ATOM 0 HG3 LYS A 44 176.775 -0.187 -15.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 176.425 -1.080 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS A 44 177.928 -0.286 -18.587 1.00 0.00 H new ATOM 0 HE2 LYS A 44 179.136 -1.586 -16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 177.638 -2.341 -16.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 178.890 -3.782 -17.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 177.425 -3.338 -18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 178.877 -2.607 -19.054 1.00 0.00 H new ATOM 714 N HIS A 45 175.448 0.809 -13.917 1.00 0.00 N ATOM 715 CA HIS A 45 174.858 -0.109 -12.941 1.00 0.00 C ATOM 716 C HIS A 45 174.556 0.607 -11.619 1.00 0.00 C ATOM 717 O HIS A 45 175.319 0.500 -10.657 1.00 0.00 O ATOM 718 CB HIS A 45 175.802 -1.292 -12.692 1.00 0.00 C ATOM 719 CG HIS A 45 175.322 -2.589 -13.272 1.00 0.00 C ATOM 720 ND1 HIS A 45 175.288 -3.766 -12.553 1.00 0.00 N ATOM 721 CD2 HIS A 45 174.863 -2.894 -14.510 1.00 0.00 C ATOM 722 CE1 HIS A 45 174.832 -4.738 -13.323 1.00 0.00 C ATOM 723 NE2 HIS A 45 174.567 -4.235 -14.514 1.00 0.00 N ATOM 0 H HIS A 45 176.392 1.118 -13.687 1.00 0.00 H new ATOM 0 HA HIS A 45 173.918 -0.478 -13.350 1.00 0.00 H new ATOM 0 HB2 HIS A 45 176.780 -1.058 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 45 175.938 -1.415 -11.618 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.751 -2.210 -15.339 1.00 0.00 H new ATOM 0 HE1 HIS A 45 174.699 -5.768 -13.028 1.00 0.00 H new ATOM 0 HE2 HIS A 45 174.201 -4.758 -15.310 1.00 0.00 H new ATOM 732 N PRO A 46 173.434 1.351 -11.555 1.00 0.00 N ATOM 733 CA PRO A 46 173.035 2.084 -10.345 1.00 0.00 C ATOM 734 C PRO A 46 172.459 1.169 -9.264 1.00 0.00 C ATOM 735 O PRO A 46 171.921 0.101 -9.565 1.00 0.00 O ATOM 736 CB PRO A 46 171.959 3.039 -10.859 1.00 0.00 C ATOM 737 CG PRO A 46 171.355 2.329 -12.022 1.00 0.00 C ATOM 738 CD PRO A 46 172.468 1.540 -12.656 1.00 0.00 C ATOM 0 HA PRO A 46 173.883 2.578 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.214 3.248 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.387 3.996 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 46 170.547 1.672 -11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 46 170.927 3.038 -12.731 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.112 0.586 -13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 46 172.914 2.078 -13.492 1.00 0.00 H new ATOM 746 N MET A 47 172.574 1.596 -8.005 1.00 0.00 N ATOM 747 CA MET A 47 172.063 0.816 -6.878 1.00 0.00 C ATOM 748 C MET A 47 171.995 1.658 -5.603 1.00 0.00 C ATOM 749 O MET A 47 172.680 2.676 -5.479 1.00 0.00 O ATOM 750 CB MET A 47 172.939 -0.419 -6.640 1.00 0.00 C ATOM 751 CG MET A 47 172.204 -1.568 -5.965 1.00 0.00 C ATOM 752 SD MET A 47 172.977 -3.167 -6.275 1.00 0.00 S ATOM 753 CE MET A 47 171.917 -3.815 -7.565 1.00 0.00 C ATOM 0 H MET A 47 173.016 2.477 -7.741 1.00 0.00 H new ATOM 0 HA MET A 47 171.052 0.495 -7.130 1.00 0.00 H new ATOM 0 HB2 MET A 47 173.334 -0.763 -7.596 1.00 0.00 H new ATOM 0 HB3 MET A 47 173.793 -0.135 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.168 -1.389 -4.890 1.00 0.00 H new ATOM 0 HG3 MET A 47 171.173 -1.593 -6.319 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.269 -4.803 -7.863 1.00 0.00 H new ATOM 0 HE2 MET A 47 170.895 -3.891 -7.193 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.941 -3.146 -8.426 1.00 0.00 H new ATOM 763 N ASP A 48 171.166 1.217 -4.657 1.00 0.00 N ATOM 764 CA ASP A 48 170.998 1.912 -3.383 1.00 0.00 C ATOM 765 C ASP A 48 170.785 0.911 -2.250 1.00 0.00 C ATOM 766 O ASP A 48 170.472 -0.256 -2.496 1.00 0.00 O ATOM 767 CB ASP A 48 169.810 2.878 -3.453 1.00 0.00 C ATOM 768 CG ASP A 48 170.074 4.060 -4.366 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.681 5.045 -3.900 1.00 0.00 O ATOM 770 OD2 ASP A 48 169.672 3.999 -5.547 1.00 0.00 O ATOM 0 H ASP A 48 170.597 0.376 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 48 171.906 2.481 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 48 168.930 2.341 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.582 3.241 -2.451 1.00 0.00 H new ATOM 775 N MET A 49 170.947 1.372 -1.006 1.00 0.00 N ATOM 776 CA MET A 49 170.759 0.507 0.163 1.00 0.00 C ATOM 777 C MET A 49 169.377 -0.146 0.140 1.00 0.00 C ATOM 778 O MET A 49 169.220 -1.299 0.547 1.00 0.00 O ATOM 779 CB MET A 49 170.944 1.298 1.462 1.00 0.00 C ATOM 780 CG MET A 49 171.713 0.534 2.529 1.00 0.00 C ATOM 781 SD MET A 49 172.450 1.614 3.771 1.00 0.00 S ATOM 782 CE MET A 49 173.754 2.391 2.820 1.00 0.00 C ATOM 0 H MET A 49 171.206 2.333 -0.783 1.00 0.00 H new ATOM 0 HA MET A 49 171.515 -0.277 0.122 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.469 2.227 1.241 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.965 1.571 1.855 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.041 -0.170 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.498 -0.053 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.739 3.467 2.993 1.00 0.00 H new ATOM 0 HE2 MET A 49 174.719 1.987 3.128 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.599 2.192 1.760 1.00 0.00 H new ATOM 792 N SER A 50 168.381 0.595 -0.351 1.00 0.00 N ATOM 793 CA SER A 50 167.014 0.087 -0.443 1.00 0.00 C ATOM 794 C SER A 50 166.926 -1.050 -1.462 1.00 0.00 C ATOM 795 O SER A 50 166.241 -2.047 -1.232 1.00 0.00 O ATOM 796 CB SER A 50 166.054 1.214 -0.837 1.00 0.00 C ATOM 797 OG SER A 50 164.739 0.724 -1.039 1.00 0.00 O ATOM 0 H SER A 50 168.498 1.550 -0.691 1.00 0.00 H new ATOM 0 HA SER A 50 166.728 -0.299 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.045 1.976 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.409 1.695 -1.748 1.00 0.00 H new ATOM 0 HG SER A 50 164.119 1.478 -1.130 1.00 0.00 H new ATOM 803 N THR A 51 167.621 -0.891 -2.591 1.00 0.00 N ATOM 804 CA THR A 51 167.619 -1.903 -3.648 1.00 0.00 C ATOM 805 C THR A 51 168.309 -3.187 -3.186 1.00 0.00 C ATOM 806 O THR A 51 167.837 -4.288 -3.476 1.00 0.00 O ATOM 807 CB THR A 51 168.295 -1.363 -4.915 1.00 0.00 C ATOM 808 OG1 THR A 51 167.911 -0.019 -5.158 1.00 0.00 O ATOM 809 CG2 THR A 51 167.960 -2.163 -6.157 1.00 0.00 C ATOM 0 H THR A 51 168.192 -0.071 -2.796 1.00 0.00 H new ATOM 0 HA THR A 51 166.580 -2.140 -3.879 1.00 0.00 H new ATOM 0 HB THR A 51 169.366 -1.440 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.354 0.306 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 51 168.469 -1.729 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.286 -3.195 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 51 166.883 -2.142 -6.324 1.00 0.00 H new ATOM 817 N ILE A 52 169.420 -3.046 -2.461 1.00 0.00 N ATOM 818 CA ILE A 52 170.150 -4.208 -1.960 1.00 0.00 C ATOM 819 C ILE A 52 169.316 -4.952 -0.917 1.00 0.00 C ATOM 820 O ILE A 52 169.229 -6.180 -0.939 1.00 0.00 O ATOM 821 CB ILE A 52 171.514 -3.814 -1.343 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.348 -3.009 -2.347 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.275 -5.057 -0.898 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.653 -2.492 -1.777 1.00 0.00 C ATOM 0 H ILE A 52 169.830 -2.146 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 52 170.340 -4.859 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 52 171.328 -3.189 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.563 -3.635 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.757 -2.165 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.232 -4.763 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.690 -5.594 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.448 -5.705 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.189 -1.933 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.446 -1.839 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.264 -3.332 -1.447 1.00 0.00 H new ATOM 836 N LYS A 53 168.694 -4.200 -0.009 1.00 0.00 N ATOM 837 CA LYS A 53 167.861 -4.795 1.033 1.00 0.00 C ATOM 838 C LYS A 53 166.612 -5.448 0.441 1.00 0.00 C ATOM 839 O LYS A 53 166.170 -6.488 0.923 1.00 0.00 O ATOM 840 CB LYS A 53 167.459 -3.744 2.069 1.00 0.00 C ATOM 841 CG LYS A 53 168.434 -3.634 3.229 1.00 0.00 C ATOM 842 CD LYS A 53 167.713 -3.442 4.555 1.00 0.00 C ATOM 843 CE LYS A 53 167.279 -1.996 4.749 1.00 0.00 C ATOM 844 NZ LYS A 53 165.845 -1.784 4.397 1.00 0.00 N ATOM 0 H LYS A 53 168.751 -3.182 0.025 1.00 0.00 H new ATOM 0 HA LYS A 53 168.452 -5.569 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.379 -2.774 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.470 -3.988 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 169.047 -4.534 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 53 169.110 -2.796 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.840 -4.093 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 53 168.369 -3.739 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.443 -1.706 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 53 167.902 -1.346 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.730 -0.848 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.539 -2.520 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.265 -1.835 5.259 1.00 0.00 H new ATOM 858 N SER A 54 166.044 -4.834 -0.604 1.00 0.00 N ATOM 859 CA SER A 54 164.843 -5.366 -1.247 1.00 0.00 C ATOM 860 C SER A 54 165.063 -6.796 -1.747 1.00 0.00 C ATOM 861 O SER A 54 164.196 -7.655 -1.580 1.00 0.00 O ATOM 862 CB SER A 54 164.408 -4.456 -2.402 1.00 0.00 C ATOM 863 OG SER A 54 165.124 -4.742 -3.595 1.00 0.00 O ATOM 0 H SER A 54 166.397 -3.972 -1.019 1.00 0.00 H new ATOM 0 HA SER A 54 164.049 -5.393 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.340 -4.580 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.566 -3.414 -2.124 1.00 0.00 H new ATOM 0 HG SER A 54 166.045 -4.418 -3.510 1.00 0.00 H new ATOM 869 N LYS A 55 166.229 -7.052 -2.347 1.00 0.00 N ATOM 870 CA LYS A 55 166.549 -8.387 -2.847 1.00 0.00 C ATOM 871 C LYS A 55 166.594 -9.381 -1.690 1.00 0.00 C ATOM 872 O LYS A 55 165.967 -10.438 -1.742 1.00 0.00 O ATOM 873 CB LYS A 55 167.889 -8.384 -3.590 1.00 0.00 C ATOM 874 CG LYS A 55 167.759 -8.104 -5.079 1.00 0.00 C ATOM 875 CD LYS A 55 168.997 -7.408 -5.625 1.00 0.00 C ATOM 876 CE LYS A 55 168.639 -6.383 -6.691 1.00 0.00 C ATOM 877 NZ LYS A 55 168.059 -7.017 -7.911 1.00 0.00 N ATOM 0 H LYS A 55 166.960 -6.357 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 55 165.770 -8.688 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.541 -7.633 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.374 -9.350 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.601 -9.040 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 55 166.882 -7.482 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.528 -6.916 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.676 -8.149 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 55 167.925 -5.669 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.531 -5.820 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 167.831 -6.281 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.749 -7.680 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 167.193 -7.533 -7.656 1.00 0.00 H new ATOM 891 N LEU A 56 167.327 -9.020 -0.636 1.00 0.00 N ATOM 892 CA LEU A 56 167.443 -9.867 0.550 1.00 0.00 C ATOM 893 C LEU A 56 166.072 -10.069 1.204 1.00 0.00 C ATOM 894 O LEU A 56 165.785 -11.143 1.736 1.00 0.00 O ATOM 895 CB LEU A 56 168.434 -9.244 1.544 1.00 0.00 C ATOM 896 CG LEU A 56 168.367 -9.777 2.982 1.00 0.00 C ATOM 897 CD1 LEU A 56 169.766 -10.057 3.512 1.00 0.00 C ATOM 898 CD2 LEU A 56 167.644 -8.787 3.886 1.00 0.00 C ATOM 0 H LEU A 56 167.849 -8.146 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 56 167.820 -10.845 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.444 -9.400 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.266 -8.167 1.568 1.00 0.00 H new ATOM 0 HG LEU A 56 167.806 -10.712 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 56 169.700 -10.434 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 56 170.252 -10.801 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 56 170.350 -9.136 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 56 167.606 -9.182 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 56 168.178 -7.837 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 56 166.629 -8.633 3.519 1.00 0.00 H new ATOM 910 N GLU A 57 165.225 -9.034 1.150 1.00 0.00 N ATOM 911 CA GLU A 57 163.881 -9.100 1.729 1.00 0.00 C ATOM 912 C GLU A 57 163.063 -10.222 1.091 1.00 0.00 C ATOM 913 O GLU A 57 162.334 -10.936 1.779 1.00 0.00 O ATOM 914 CB GLU A 57 163.149 -7.767 1.549 1.00 0.00 C ATOM 915 CG GLU A 57 163.672 -6.657 2.445 1.00 0.00 C ATOM 916 CD GLU A 57 162.575 -6.002 3.263 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.831 -5.172 2.699 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.462 -6.317 4.466 1.00 0.00 O ATOM 0 H GLU A 57 165.448 -8.141 0.711 1.00 0.00 H new ATOM 0 HA GLU A 57 163.991 -9.307 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.235 -7.453 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.088 -7.915 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.428 -7.063 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.163 -5.901 1.832 1.00 0.00 H new ATOM 925 N ALA A 58 163.192 -10.377 -0.230 1.00 0.00 N ATOM 926 CA ALA A 58 162.465 -11.418 -0.957 1.00 0.00 C ATOM 927 C ALA A 58 163.267 -12.726 -1.046 1.00 0.00 C ATOM 928 O ALA A 58 162.942 -13.602 -1.850 1.00 0.00 O ATOM 929 CB ALA A 58 162.097 -10.927 -2.351 1.00 0.00 C ATOM 0 H ALA A 58 163.792 -9.796 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 58 161.554 -11.632 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.556 -11.711 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.466 -10.042 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.005 -10.677 -2.900 1.00 0.00 H new ATOM 935 N ARG A 59 164.313 -12.855 -0.222 1.00 0.00 N ATOM 936 CA ARG A 59 165.159 -14.053 -0.211 1.00 0.00 C ATOM 937 C ARG A 59 165.900 -14.234 -1.541 1.00 0.00 C ATOM 938 O ARG A 59 166.233 -15.357 -1.926 1.00 0.00 O ATOM 939 CB ARG A 59 164.326 -15.304 0.106 1.00 0.00 C ATOM 940 CG ARG A 59 164.959 -16.202 1.161 1.00 0.00 C ATOM 941 CD ARG A 59 164.073 -17.395 1.498 1.00 0.00 C ATOM 942 NE ARG A 59 164.732 -18.671 1.209 1.00 0.00 N ATOM 943 CZ ARG A 59 164.085 -19.830 1.054 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.759 -19.885 1.163 1.00 0.00 N ATOM 945 NH2 ARG A 59 164.765 -20.940 0.792 1.00 0.00 N ATOM 0 H ARG A 59 164.595 -12.140 0.449 1.00 0.00 H new ATOM 0 HA ARG A 59 165.904 -13.917 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.338 -14.996 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.183 -15.877 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 59 165.925 -16.557 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.147 -15.623 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.802 -17.358 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 59 163.146 -17.329 0.929 1.00 0.00 H new ATOM 0 HE ARG A 59 165.748 -18.675 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 59 162.228 -19.038 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 59 162.274 -20.774 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 59 165.781 -20.908 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 59 164.271 -21.825 0.674 1.00 0.00 H new ATOM 959 N GLU A 60 166.172 -13.124 -2.231 1.00 0.00 N ATOM 960 CA GLU A 60 166.888 -13.171 -3.505 1.00 0.00 C ATOM 961 C GLU A 60 168.378 -13.423 -3.282 1.00 0.00 C ATOM 962 O GLU A 60 169.016 -14.143 -4.052 1.00 0.00 O ATOM 963 CB GLU A 60 166.690 -11.869 -4.289 1.00 0.00 C ATOM 964 CG GLU A 60 165.232 -11.539 -4.581 1.00 0.00 C ATOM 965 CD GLU A 60 165.066 -10.697 -5.832 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.085 -11.272 -6.941 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.921 -9.463 -5.703 1.00 0.00 O ATOM 0 H GLU A 60 165.908 -12.186 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 60 166.478 -13.996 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.133 -11.047 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.232 -11.938 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.669 -12.465 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.806 -11.008 -3.730 1.00 0.00 H new ATOM 974 N TYR A 61 168.925 -12.833 -2.219 1.00 0.00 N ATOM 975 CA TYR A 61 170.337 -13.001 -1.887 1.00 0.00 C ATOM 976 C TYR A 61 170.582 -14.375 -1.268 1.00 0.00 C ATOM 977 O TYR A 61 170.369 -14.574 -0.072 1.00 0.00 O ATOM 978 CB TYR A 61 170.796 -11.902 -0.922 1.00 0.00 C ATOM 979 CG TYR A 61 171.321 -10.661 -1.612 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.374 -10.738 -2.516 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.768 -9.413 -1.353 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.858 -9.607 -3.144 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.249 -8.279 -1.976 1.00 0.00 C ATOM 984 CZ TYR A 61 172.292 -8.380 -2.869 1.00 0.00 C ATOM 985 OH TYR A 61 172.772 -7.248 -3.486 1.00 0.00 O ATOM 0 H TYR A 61 168.410 -12.234 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 61 170.915 -12.924 -2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.960 -11.623 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.575 -12.303 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.821 -11.697 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.949 -9.329 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.675 -9.683 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.809 -7.316 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 61 173.415 -7.502 -4.180 1.00 0.00 H new ATOM 995 N ARG A 62 171.027 -15.322 -2.091 1.00 0.00 N ATOM 996 CA ARG A 62 171.299 -16.678 -1.621 1.00 0.00 C ATOM 997 C ARG A 62 172.635 -16.749 -0.881 1.00 0.00 C ATOM 998 O ARG A 62 172.795 -17.544 0.048 1.00 0.00 O ATOM 999 CB ARG A 62 171.297 -17.661 -2.795 1.00 0.00 C ATOM 1000 CG ARG A 62 169.928 -17.836 -3.439 1.00 0.00 C ATOM 1001 CD ARG A 62 170.043 -18.257 -4.896 1.00 0.00 C ATOM 1002 NE ARG A 62 168.975 -17.687 -5.720 1.00 0.00 N ATOM 1003 CZ ARG A 62 169.023 -17.607 -7.053 1.00 0.00 C ATOM 1004 NH1 ARG A 62 170.080 -18.064 -7.720 1.00 0.00 N ATOM 1005 NH2 ARG A 62 168.008 -17.071 -7.723 1.00 0.00 N ATOM 0 H ARG A 62 171.206 -15.176 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 62 170.508 -16.955 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.003 -17.315 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 62 171.653 -18.631 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 62 169.359 -18.585 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.372 -16.901 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.010 -17.943 -5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 62 170.010 -19.344 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 62 168.144 -17.330 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 62 170.862 -18.479 -7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 62 170.108 -17.999 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 62 167.193 -16.721 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 62 168.044 -17.010 -8.741 1.00 0.00 H new ATOM 1019 N ASP A 63 173.590 -15.913 -1.296 1.00 0.00 N ATOM 1020 CA ASP A 63 174.911 -15.881 -0.673 1.00 0.00 C ATOM 1021 C ASP A 63 175.277 -14.465 -0.232 1.00 0.00 C ATOM 1022 O ASP A 63 174.963 -13.488 -0.918 1.00 0.00 O ATOM 1023 CB ASP A 63 175.974 -16.424 -1.636 1.00 0.00 C ATOM 1024 CG ASP A 63 176.027 -15.660 -2.947 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.103 -15.823 -3.771 1.00 0.00 O ATOM 1026 OD2 ASP A 63 176.994 -14.895 -3.148 1.00 0.00 O ATOM 0 H ASP A 63 173.471 -15.250 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 63 174.878 -16.517 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 63 176.951 -16.378 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.769 -17.475 -1.841 1.00 0.00 H new ATOM 1031 N ALA A 64 175.949 -14.364 0.917 1.00 0.00 N ATOM 1032 CA ALA A 64 176.368 -13.072 1.458 1.00 0.00 C ATOM 1033 C ALA A 64 177.450 -12.416 0.594 1.00 0.00 C ATOM 1034 O ALA A 64 177.663 -11.204 0.678 1.00 0.00 O ATOM 1035 CB ALA A 64 176.862 -13.233 2.890 1.00 0.00 C ATOM 0 H ALA A 64 176.214 -15.164 1.491 1.00 0.00 H new ATOM 0 HA ALA A 64 175.498 -12.416 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.171 -12.263 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.059 -13.634 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.710 -13.917 2.908 1.00 0.00 H new ATOM 1041 N GLN A 65 178.129 -13.214 -0.237 1.00 0.00 N ATOM 1042 CA GLN A 65 179.179 -12.693 -1.110 1.00 0.00 C ATOM 1043 C GLN A 65 178.600 -11.691 -2.105 1.00 0.00 C ATOM 1044 O GLN A 65 179.133 -10.594 -2.274 1.00 0.00 O ATOM 1045 CB GLN A 65 179.864 -13.838 -1.861 1.00 0.00 C ATOM 1046 CG GLN A 65 181.372 -13.882 -1.667 1.00 0.00 C ATOM 1047 CD GLN A 65 181.784 -14.703 -0.458 1.00 0.00 C ATOM 1048 OE1 GLN A 65 182.442 -14.200 0.452 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.401 -15.977 -0.443 1.00 0.00 N ATOM 0 H GLN A 65 177.969 -14.218 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 65 179.918 -12.184 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.436 -14.785 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.646 -13.744 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.837 -14.300 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 65 181.750 -12.866 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.856 -16.355 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.652 -16.576 0.344 1.00 0.00 H new ATOM 1058 N GLU A 66 177.497 -12.073 -2.749 1.00 0.00 N ATOM 1059 CA GLU A 66 176.831 -11.206 -3.718 1.00 0.00 C ATOM 1060 C GLU A 66 176.332 -9.925 -3.047 1.00 0.00 C ATOM 1061 O GLU A 66 176.402 -8.842 -3.631 1.00 0.00 O ATOM 1062 CB GLU A 66 175.661 -11.945 -4.374 1.00 0.00 C ATOM 1063 CG GLU A 66 175.359 -11.472 -5.788 1.00 0.00 C ATOM 1064 CD GLU A 66 174.864 -12.590 -6.687 1.00 0.00 C ATOM 1065 OE1 GLU A 66 175.680 -13.459 -7.060 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.660 -12.594 -7.022 1.00 0.00 O ATOM 0 H GLU A 66 177.046 -12.978 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 66 177.555 -10.934 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.882 -13.012 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.770 -11.817 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.608 -10.683 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.259 -11.035 -6.221 1.00 0.00 H new ATOM 1073 N PHE A 67 175.833 -10.056 -1.813 1.00 0.00 N ATOM 1074 CA PHE A 67 175.326 -8.908 -1.060 1.00 0.00 C ATOM 1075 C PHE A 67 176.420 -7.859 -0.864 1.00 0.00 C ATOM 1076 O PHE A 67 176.235 -6.690 -1.204 1.00 0.00 O ATOM 1077 CB PHE A 67 174.780 -9.360 0.302 1.00 0.00 C ATOM 1078 CG PHE A 67 174.300 -8.229 1.175 1.00 0.00 C ATOM 1079 CD1 PHE A 67 175.199 -7.480 1.920 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.951 -7.918 1.250 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.761 -6.443 2.720 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.509 -6.881 2.051 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.416 -6.143 2.786 1.00 0.00 C ATOM 0 H PHE A 67 175.770 -10.945 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 67 174.516 -8.458 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.956 -10.055 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.560 -9.908 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.253 -7.710 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.238 -8.492 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.471 -5.867 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.456 -6.648 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 67 173.073 -5.332 3.412 1.00 0.00 H new ATOM 1093 N GLY A 68 177.559 -8.287 -0.316 1.00 0.00 N ATOM 1094 CA GLY A 68 178.669 -7.375 -0.085 1.00 0.00 C ATOM 1095 C GLY A 68 179.287 -6.865 -1.375 1.00 0.00 C ATOM 1096 O GLY A 68 179.724 -5.715 -1.442 1.00 0.00 O ATOM 0 H GLY A 68 177.732 -9.250 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.321 -6.528 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.434 -7.882 0.504 1.00 0.00 H new ATOM 1100 N ALA A 69 179.319 -7.720 -2.403 1.00 0.00 N ATOM 1101 CA ALA A 69 179.882 -7.349 -3.702 1.00 0.00 C ATOM 1102 C ALA A 69 179.151 -6.146 -4.298 1.00 0.00 C ATOM 1103 O ALA A 69 179.767 -5.293 -4.939 1.00 0.00 O ATOM 1104 CB ALA A 69 179.827 -8.531 -4.664 1.00 0.00 C ATOM 0 H ALA A 69 178.961 -8.674 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 69 180.924 -7.069 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.250 -8.238 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.401 -9.361 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.791 -8.840 -4.802 1.00 0.00 H new ATOM 1110 N ASP A 70 177.836 -6.080 -4.079 1.00 0.00 N ATOM 1111 CA ASP A 70 177.025 -4.977 -4.591 1.00 0.00 C ATOM 1112 C ASP A 70 177.271 -3.693 -3.800 1.00 0.00 C ATOM 1113 O ASP A 70 177.344 -2.608 -4.379 1.00 0.00 O ATOM 1114 CB ASP A 70 175.538 -5.341 -4.554 1.00 0.00 C ATOM 1115 CG ASP A 70 175.098 -6.084 -5.801 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.096 -5.471 -6.889 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.758 -7.280 -5.689 1.00 0.00 O ATOM 0 H ASP A 70 177.312 -6.778 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 70 177.321 -4.801 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.338 -5.957 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.946 -4.432 -4.447 1.00 0.00 H new ATOM 1122 N VAL A 71 177.407 -3.818 -2.479 1.00 0.00 N ATOM 1123 CA VAL A 71 177.653 -2.656 -1.626 1.00 0.00 C ATOM 1124 C VAL A 71 178.996 -2.012 -1.967 1.00 0.00 C ATOM 1125 O VAL A 71 179.082 -0.797 -2.150 1.00 0.00 O ATOM 1126 CB VAL A 71 177.636 -3.023 -0.126 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.742 -1.770 0.728 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.381 -3.810 0.231 1.00 0.00 C ATOM 0 H VAL A 71 177.351 -4.706 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 71 176.844 -1.950 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 71 178.499 -3.657 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.729 -2.046 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.674 -1.252 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 71 176.900 -1.112 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.395 -4.055 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.499 -3.209 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.350 -4.730 -0.353 1.00 0.00 H new ATOM 1138 N ARG A 72 180.042 -2.837 -2.061 1.00 0.00 N ATOM 1139 CA ARG A 72 181.379 -2.347 -2.391 1.00 0.00 C ATOM 1140 C ARG A 72 181.411 -1.771 -3.809 1.00 0.00 C ATOM 1141 O ARG A 72 182.056 -0.751 -4.057 1.00 0.00 O ATOM 1142 CB ARG A 72 182.417 -3.470 -2.249 1.00 0.00 C ATOM 1143 CG ARG A 72 182.212 -4.623 -3.221 1.00 0.00 C ATOM 1144 CD ARG A 72 183.340 -5.639 -3.138 1.00 0.00 C ATOM 1145 NE ARG A 72 183.410 -6.469 -4.341 1.00 0.00 N ATOM 1146 CZ ARG A 72 184.114 -7.601 -4.434 1.00 0.00 C ATOM 1147 NH1 ARG A 72 184.819 -8.050 -3.397 1.00 0.00 N ATOM 1148 NH2 ARG A 72 184.112 -8.287 -5.571 1.00 0.00 N ATOM 0 H ARG A 72 179.987 -3.845 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 72 181.630 -1.551 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.413 -3.053 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.384 -3.856 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.263 -5.115 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.147 -4.234 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.288 -5.120 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.193 -6.275 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 72 182.887 -6.164 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.825 -7.529 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.353 -8.915 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 72 183.574 -7.949 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.648 -9.152 -5.646 1.00 0.00 H new ATOM 1162 N LEU A 73 180.704 -2.429 -4.732 1.00 0.00 N ATOM 1163 CA LEU A 73 180.642 -1.983 -6.123 1.00 0.00 C ATOM 1164 C LEU A 73 179.946 -0.625 -6.224 1.00 0.00 C ATOM 1165 O LEU A 73 180.427 0.279 -6.909 1.00 0.00 O ATOM 1166 CB LEU A 73 179.908 -3.023 -6.979 1.00 0.00 C ATOM 1167 CG LEU A 73 179.858 -2.725 -8.481 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.956 -4.015 -9.284 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.584 -1.969 -8.834 1.00 0.00 C ATOM 0 H LEU A 73 180.166 -3.274 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 73 181.660 -1.874 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.388 -3.991 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.886 -3.115 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 73 180.711 -2.096 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.919 -3.785 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.896 -4.516 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.123 -4.669 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.566 -1.766 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.717 -2.572 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.556 -1.027 -8.286 1.00 0.00 H new ATOM 1181 N MET A 74 178.812 -0.490 -5.532 1.00 0.00 N ATOM 1182 CA MET A 74 178.048 0.757 -5.537 1.00 0.00 C ATOM 1183 C MET A 74 178.830 1.891 -4.877 1.00 0.00 C ATOM 1184 O MET A 74 178.826 3.018 -5.371 1.00 0.00 O ATOM 1185 CB MET A 74 176.707 0.574 -4.824 1.00 0.00 C ATOM 1186 CG MET A 74 175.633 1.541 -5.300 1.00 0.00 C ATOM 1187 SD MET A 74 175.615 1.743 -7.096 1.00 0.00 S ATOM 1188 CE MET A 74 175.826 0.049 -7.644 1.00 0.00 C ATOM 0 H MET A 74 178.404 -1.230 -4.961 1.00 0.00 H new ATOM 0 HA MET A 74 177.866 1.023 -6.578 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.359 -0.448 -4.977 1.00 0.00 H new ATOM 0 HB3 MET A 74 176.853 0.704 -3.752 1.00 0.00 H new ATOM 0 HG2 MET A 74 174.658 1.184 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.792 2.512 -4.832 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.834 -0.083 -8.037 1.00 0.00 H new ATOM 0 HE2 MET A 74 175.673 -0.627 -6.803 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.099 -0.174 -8.425 1.00 0.00 H new ATOM 1198 N PHE A 75 179.499 1.588 -3.760 1.00 0.00 N ATOM 1199 CA PHE A 75 180.285 2.591 -3.041 1.00 0.00 C ATOM 1200 C PHE A 75 181.320 3.231 -3.964 1.00 0.00 C ATOM 1201 O PHE A 75 181.480 4.453 -3.976 1.00 0.00 O ATOM 1202 CB PHE A 75 180.984 1.969 -1.827 1.00 0.00 C ATOM 1203 CG PHE A 75 180.242 2.173 -0.533 1.00 0.00 C ATOM 1204 CD1 PHE A 75 179.995 3.451 -0.053 1.00 0.00 C ATOM 1205 CD2 PHE A 75 179.791 1.088 0.200 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.311 3.640 1.134 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.106 1.272 1.387 1.00 0.00 C ATOM 1208 CZ PHE A 75 178.866 2.549 1.854 1.00 0.00 C ATOM 0 H PHE A 75 179.511 0.660 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 75 179.600 3.363 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.110 0.900 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 75 181.982 2.397 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.341 4.308 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.976 0.087 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.125 4.640 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.759 0.417 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.331 2.694 2.781 1.00 0.00 H new ATOM 1218 N SER A 76 182.014 2.399 -4.745 1.00 0.00 N ATOM 1219 CA SER A 76 183.027 2.887 -5.679 1.00 0.00 C ATOM 1220 C SER A 76 182.398 3.803 -6.730 1.00 0.00 C ATOM 1221 O SER A 76 182.971 4.832 -7.091 1.00 0.00 O ATOM 1222 CB SER A 76 183.740 1.716 -6.365 1.00 0.00 C ATOM 1223 OG SER A 76 184.918 2.155 -7.021 1.00 0.00 O ATOM 0 H SER A 76 181.892 1.386 -4.748 1.00 0.00 H new ATOM 0 HA SER A 76 183.760 3.459 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.992 0.956 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.070 1.249 -7.087 1.00 0.00 H new ATOM 0 HG SER A 76 185.357 1.391 -7.450 1.00 0.00 H new ATOM 1229 N ASN A 77 181.213 3.422 -7.213 1.00 0.00 N ATOM 1230 CA ASN A 77 180.501 4.210 -8.218 1.00 0.00 C ATOM 1231 C ASN A 77 180.021 5.539 -7.635 1.00 0.00 C ATOM 1232 O ASN A 77 180.186 6.592 -8.252 1.00 0.00 O ATOM 1233 CB ASN A 77 179.307 3.423 -8.772 1.00 0.00 C ATOM 1234 CG ASN A 77 179.719 2.379 -9.797 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.739 2.522 -10.470 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.922 1.322 -9.926 1.00 0.00 N ATOM 0 H ASN A 77 180.728 2.573 -6.924 1.00 0.00 H new ATOM 0 HA ASN A 77 181.197 4.420 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.786 2.933 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.600 4.116 -9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.148 0.593 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.085 1.241 -9.349 1.00 0.00 H new ATOM 1243 N CYS A 78 179.427 5.480 -6.441 1.00 0.00 N ATOM 1244 CA CYS A 78 178.920 6.676 -5.766 1.00 0.00 C ATOM 1245 C CYS A 78 180.045 7.661 -5.454 1.00 0.00 C ATOM 1246 O CYS A 78 179.848 8.875 -5.516 1.00 0.00 O ATOM 1247 CB CYS A 78 178.192 6.294 -4.474 1.00 0.00 C ATOM 1248 SG CYS A 78 176.543 7.016 -4.320 1.00 0.00 S ATOM 0 H CYS A 78 179.285 4.614 -5.921 1.00 0.00 H new ATOM 0 HA CYS A 78 178.219 7.163 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.108 5.208 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 78 178.796 6.607 -3.622 1.00 0.00 H new ATOM 0 HG CYS A 78 176.308 7.300 -3.073 1.00 0.00 H new ATOM 1254 N TYR A 79 181.223 7.133 -5.122 1.00 0.00 N ATOM 1255 CA TYR A 79 182.381 7.969 -4.805 1.00 0.00 C ATOM 1256 C TYR A 79 182.713 8.905 -5.969 1.00 0.00 C ATOM 1257 O TYR A 79 183.158 10.035 -5.760 1.00 0.00 O ATOM 1258 CB TYR A 79 183.590 7.093 -4.470 1.00 0.00 C ATOM 1259 CG TYR A 79 184.800 7.869 -3.998 1.00 0.00 C ATOM 1260 CD1 TYR A 79 184.951 8.212 -2.661 1.00 0.00 C ATOM 1261 CD2 TYR A 79 185.794 8.251 -4.891 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.058 8.914 -2.226 1.00 0.00 C ATOM 1263 CE2 TYR A 79 186.903 8.954 -4.463 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.031 9.282 -3.130 1.00 0.00 C ATOM 1265 OH TYR A 79 188.136 9.978 -2.698 1.00 0.00 O ATOM 0 H TYR A 79 181.401 6.130 -5.066 1.00 0.00 H new ATOM 0 HA TYR A 79 182.134 8.579 -3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.305 6.379 -3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 79 183.863 6.516 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.191 7.925 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 79 185.698 7.994 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.161 9.173 -1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 79 187.666 9.245 -5.169 1.00 0.00 H new ATOM 0 HH TYR A 79 188.726 10.159 -3.459 1.00 0.00 H new ATOM 1275 N LYS A 80 182.479 8.431 -7.194 1.00 0.00 N ATOM 1276 CA LYS A 80 182.737 9.226 -8.389 1.00 0.00 C ATOM 1277 C LYS A 80 181.816 10.447 -8.432 1.00 0.00 C ATOM 1278 O LYS A 80 182.225 11.527 -8.859 1.00 0.00 O ATOM 1279 CB LYS A 80 182.550 8.372 -9.648 1.00 0.00 C ATOM 1280 CG LYS A 80 183.103 9.017 -10.909 1.00 0.00 C ATOM 1281 CD LYS A 80 182.873 8.146 -12.137 1.00 0.00 C ATOM 1282 CE LYS A 80 184.129 8.033 -12.991 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.835 6.737 -12.782 1.00 0.00 N ATOM 0 H LYS A 80 182.111 7.499 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 80 183.769 9.575 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.038 7.409 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.487 8.173 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.630 9.988 -11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.171 9.198 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 80 182.556 7.152 -11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.063 8.566 -12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 80 183.862 8.134 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.804 8.855 -12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.683 6.703 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.114 6.651 -11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.201 5.952 -13.034 1.00 0.00 H new ATOM 1297 N TYR A 81 180.574 10.269 -7.979 1.00 0.00 N ATOM 1298 CA TYR A 81 179.599 11.357 -7.956 1.00 0.00 C ATOM 1299 C TYR A 81 179.807 12.261 -6.735 1.00 0.00 C ATOM 1300 O TYR A 81 179.643 13.478 -6.828 1.00 0.00 O ATOM 1301 CB TYR A 81 178.170 10.801 -7.955 1.00 0.00 C ATOM 1302 CG TYR A 81 177.208 11.575 -8.836 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.103 12.960 -8.746 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.401 10.917 -9.757 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.224 13.663 -9.547 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.520 11.615 -10.561 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.436 12.986 -10.452 1.00 0.00 C ATOM 1308 OH TYR A 81 174.558 13.683 -11.252 1.00 0.00 O ATOM 0 H TYR A 81 180.221 9.381 -7.623 1.00 0.00 H new ATOM 0 HA TYR A 81 179.748 11.954 -8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.195 9.763 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 81 177.791 10.801 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.719 13.494 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.464 9.842 -9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.155 14.738 -9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.900 11.088 -11.272 1.00 0.00 H new ATOM 0 HH TYR A 81 174.079 13.057 -11.835 1.00 0.00 H new ATOM 1318 N ASN A 82 180.164 11.661 -5.591 1.00 0.00 N ATOM 1319 CA ASN A 82 180.387 12.424 -4.356 1.00 0.00 C ATOM 1320 C ASN A 82 181.524 13.432 -4.530 1.00 0.00 C ATOM 1321 O ASN A 82 182.688 13.046 -4.659 1.00 0.00 O ATOM 1322 CB ASN A 82 180.704 11.488 -3.179 1.00 0.00 C ATOM 1323 CG ASN A 82 179.606 10.470 -2.912 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.884 9.292 -2.685 1.00 0.00 O ATOM 1325 ND2 ASN A 82 178.354 10.916 -2.930 1.00 0.00 N ATOM 0 H ASN A 82 180.304 10.655 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 82 179.467 12.966 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.637 10.962 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 82 180.864 12.085 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 82 177.581 10.274 -2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 82 178.166 11.900 -3.122 1.00 0.00 H new ATOM 1332 N PRO A 83 181.201 14.744 -4.535 1.00 0.00 N ATOM 1333 CA PRO A 83 182.201 15.812 -4.695 1.00 0.00 C ATOM 1334 C PRO A 83 183.239 15.815 -3.572 1.00 0.00 C ATOM 1335 O PRO A 83 183.031 15.203 -2.522 1.00 0.00 O ATOM 1336 CB PRO A 83 181.370 17.102 -4.654 1.00 0.00 C ATOM 1337 CG PRO A 83 179.975 16.674 -4.957 1.00 0.00 C ATOM 1338 CD PRO A 83 179.841 15.293 -4.387 1.00 0.00 C ATOM 0 HA PRO A 83 182.774 15.689 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 83 181.432 17.580 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 83 181.728 17.825 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 83 179.251 17.354 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 83 179.790 16.674 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.525 15.315 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.105 14.701 -4.931 1.00 0.00 H new ATOM 1346 N PRO A 84 184.376 16.511 -3.777 1.00 0.00 N ATOM 1347 CA PRO A 84 185.446 16.594 -2.774 1.00 0.00 C ATOM 1348 C PRO A 84 185.046 17.438 -1.564 1.00 0.00 C ATOM 1349 O PRO A 84 184.237 18.360 -1.682 1.00 0.00 O ATOM 1350 CB PRO A 84 186.595 17.261 -3.532 1.00 0.00 C ATOM 1351 CG PRO A 84 185.932 18.052 -4.606 1.00 0.00 C ATOM 1352 CD PRO A 84 184.706 17.273 -4.999 1.00 0.00 C ATOM 0 HA PRO A 84 185.697 15.614 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 84 187.184 17.901 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 84 187.277 16.520 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 84 185.664 19.047 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 84 186.598 18.187 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 84 183.889 17.932 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 84 184.904 16.612 -5.843 1.00 0.00 H new ATOM 1360 N ASP A 85 185.625 17.115 -0.404 1.00 0.00 N ATOM 1361 CA ASP A 85 185.343 17.834 0.839 1.00 0.00 C ATOM 1362 C ASP A 85 183.837 17.895 1.121 1.00 0.00 C ATOM 1363 O ASP A 85 183.288 18.961 1.407 1.00 0.00 O ATOM 1364 CB ASP A 85 185.937 19.245 0.779 1.00 0.00 C ATOM 1365 CG ASP A 85 187.354 19.306 1.319 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.180 18.457 0.921 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.639 20.202 2.142 1.00 0.00 O ATOM 0 H ASP A 85 186.297 16.354 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 85 185.810 17.288 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 85 185.930 19.594 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 85 185.305 19.926 1.350 1.00 0.00 H new ATOM 1372 N HIS A 86 183.175 16.740 1.036 1.00 0.00 N ATOM 1373 CA HIS A 86 181.737 16.652 1.278 1.00 0.00 C ATOM 1374 C HIS A 86 181.444 15.780 2.496 1.00 0.00 C ATOM 1375 O HIS A 86 182.099 14.757 2.708 1.00 0.00 O ATOM 1376 CB HIS A 86 181.036 16.075 0.043 1.00 0.00 C ATOM 1377 CG HIS A 86 179.717 16.716 -0.269 1.00 0.00 C ATOM 1378 ND1 HIS A 86 178.671 16.774 0.628 1.00 0.00 N ATOM 1379 CD2 HIS A 86 179.273 17.317 -1.399 1.00 0.00 C ATOM 1380 CE1 HIS A 86 177.641 17.379 0.063 1.00 0.00 C ATOM 1381 NE2 HIS A 86 177.983 17.720 -1.165 1.00 0.00 N ATOM 0 H HIS A 86 183.615 15.850 0.800 1.00 0.00 H new ATOM 0 HA HIS A 86 181.358 17.655 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 86 181.694 16.185 -0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 86 180.882 15.006 0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 86 179.831 17.453 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 86 176.683 17.563 0.527 1.00 0.00 H new ATOM 0 HE2 HIS A 86 177.384 18.205 -1.833 1.00 0.00 H new ATOM 1390 N GLU A 87 180.453 16.187 3.291 1.00 0.00 N ATOM 1391 CA GLU A 87 180.069 15.438 4.486 1.00 0.00 C ATOM 1392 C GLU A 87 179.712 13.992 4.135 1.00 0.00 C ATOM 1393 O GLU A 87 180.082 13.061 4.853 1.00 0.00 O ATOM 1394 CB GLU A 87 178.882 16.113 5.179 1.00 0.00 C ATOM 1395 CG GLU A 87 179.005 16.152 6.694 1.00 0.00 C ATOM 1396 CD GLU A 87 179.621 17.443 7.198 1.00 0.00 C ATOM 1397 OE1 GLU A 87 178.949 18.493 7.118 1.00 0.00 O ATOM 1398 OE2 GLU A 87 180.775 17.404 7.673 1.00 0.00 O ATOM 0 H GLU A 87 179.903 17.030 3.128 1.00 0.00 H new ATOM 0 HA GLU A 87 180.921 15.429 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.784 17.132 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.967 15.585 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.017 16.028 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.612 15.310 7.027 1.00 0.00 H new ATOM 1405 N VAL A 88 178.995 13.817 3.021 1.00 0.00 N ATOM 1406 CA VAL A 88 178.589 12.488 2.562 1.00 0.00 C ATOM 1407 C VAL A 88 179.799 11.590 2.298 1.00 0.00 C ATOM 1408 O VAL A 88 179.734 10.377 2.503 1.00 0.00 O ATOM 1409 CB VAL A 88 177.724 12.561 1.280 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.347 13.129 1.595 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.413 13.380 0.191 1.00 0.00 C ATOM 0 H VAL A 88 178.684 14.581 2.421 1.00 0.00 H new ATOM 0 HA VAL A 88 177.992 12.057 3.366 1.00 0.00 H new ATOM 0 HB VAL A 88 177.600 11.546 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.754 13.173 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.847 12.489 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.453 14.133 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.780 13.412 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.584 14.394 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.368 12.919 -0.061 1.00 0.00 H new ATOM 1421 N VAL A 89 180.905 12.191 1.852 1.00 0.00 N ATOM 1422 CA VAL A 89 182.126 11.439 1.574 1.00 0.00 C ATOM 1423 C VAL A 89 182.700 10.851 2.863 1.00 0.00 C ATOM 1424 O VAL A 89 183.092 9.683 2.902 1.00 0.00 O ATOM 1425 CB VAL A 89 183.198 12.319 0.894 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.400 11.479 0.484 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.618 13.053 -0.310 1.00 0.00 C ATOM 0 H VAL A 89 180.978 13.193 1.677 1.00 0.00 H new ATOM 0 HA VAL A 89 181.857 10.633 0.891 1.00 0.00 H new ATOM 0 HB VAL A 89 183.530 13.065 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.144 12.117 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.836 11.012 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.082 10.706 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.393 13.665 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.250 12.328 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.796 13.691 0.014 1.00 0.00 H new ATOM 1437 N ALA A 90 182.734 11.665 3.921 1.00 0.00 N ATOM 1438 CA ALA A 90 183.247 11.222 5.217 1.00 0.00 C ATOM 1439 C ALA A 90 182.379 10.105 5.793 1.00 0.00 C ATOM 1440 O ALA A 90 182.892 9.150 6.379 1.00 0.00 O ATOM 1441 CB ALA A 90 183.317 12.390 6.191 1.00 0.00 C ATOM 0 H ALA A 90 182.413 12.633 3.904 1.00 0.00 H new ATOM 0 HA ALA A 90 184.253 10.831 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.701 12.042 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.980 13.157 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.320 12.808 6.330 1.00 0.00 H new ATOM 1447 N MET A 91 181.061 10.232 5.618 1.00 0.00 N ATOM 1448 CA MET A 91 180.117 9.232 6.116 1.00 0.00 C ATOM 1449 C MET A 91 180.370 7.872 5.469 1.00 0.00 C ATOM 1450 O MET A 91 180.349 6.846 6.148 1.00 0.00 O ATOM 1451 CB MET A 91 178.674 9.674 5.853 1.00 0.00 C ATOM 1452 CG MET A 91 178.150 10.683 6.862 1.00 0.00 C ATOM 1453 SD MET A 91 176.634 11.490 6.311 1.00 0.00 S ATOM 1454 CE MET A 91 177.050 13.210 6.584 1.00 0.00 C ATOM 0 H MET A 91 180.625 11.018 5.135 1.00 0.00 H new ATOM 0 HA MET A 91 180.267 9.138 7.191 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.612 10.107 4.854 1.00 0.00 H new ATOM 0 HB3 MET A 91 178.027 8.796 5.861 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.965 10.180 7.811 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.914 11.439 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 91 176.551 13.828 5.838 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.724 13.509 7.580 1.00 0.00 H new ATOM 0 HE3 MET A 91 178.129 13.341 6.500 1.00 0.00 H new ATOM 1464 N ALA A 92 180.612 7.872 4.155 1.00 0.00 N ATOM 1465 CA ALA A 92 180.873 6.635 3.419 1.00 0.00 C ATOM 1466 C ALA A 92 182.055 5.874 4.016 1.00 0.00 C ATOM 1467 O ALA A 92 181.990 4.658 4.197 1.00 0.00 O ATOM 1468 CB ALA A 92 181.125 6.934 1.948 1.00 0.00 C ATOM 0 H ALA A 92 180.632 8.715 3.581 1.00 0.00 H new ATOM 0 HA ALA A 92 179.989 6.003 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.317 6.003 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.249 7.422 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.989 7.591 1.853 1.00 0.00 H new ATOM 1474 N ARG A 93 183.133 6.599 4.327 1.00 0.00 N ATOM 1475 CA ARG A 93 184.328 5.988 4.911 1.00 0.00 C ATOM 1476 C ARG A 93 184.004 5.350 6.262 1.00 0.00 C ATOM 1477 O ARG A 93 184.384 4.208 6.522 1.00 0.00 O ATOM 1478 CB ARG A 93 185.444 7.028 5.072 1.00 0.00 C ATOM 1479 CG ARG A 93 186.252 7.259 3.802 1.00 0.00 C ATOM 1480 CD ARG A 93 186.387 8.741 3.481 1.00 0.00 C ATOM 1481 NE ARG A 93 187.756 9.224 3.660 1.00 0.00 N ATOM 1482 CZ ARG A 93 188.745 9.017 2.783 1.00 0.00 C ATOM 1483 NH1 ARG A 93 188.528 8.324 1.667 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.958 9.504 3.026 1.00 0.00 N ATOM 0 H ARG A 93 183.202 7.607 4.184 1.00 0.00 H new ATOM 0 HA ARG A 93 184.674 5.208 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.005 7.974 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 93 186.117 6.706 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.243 6.820 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.772 6.748 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.073 8.918 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.716 9.312 4.122 1.00 0.00 H new ATOM 0 HE ARG A 93 187.970 9.752 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.601 7.945 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 93 189.289 8.172 1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 93 190.133 10.034 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 93 190.713 9.347 2.359 1.00 0.00 H new ATOM 1498 N LYS A 94 183.291 6.091 7.113 1.00 0.00 N ATOM 1499 CA LYS A 94 182.908 5.588 8.433 1.00 0.00 C ATOM 1500 C LYS A 94 181.936 4.414 8.309 1.00 0.00 C ATOM 1501 O LYS A 94 182.037 3.436 9.051 1.00 0.00 O ATOM 1502 CB LYS A 94 182.275 6.703 9.270 1.00 0.00 C ATOM 1503 CG LYS A 94 182.430 6.507 10.772 1.00 0.00 C ATOM 1504 CD LYS A 94 181.554 7.472 11.557 1.00 0.00 C ATOM 1505 CE LYS A 94 181.194 6.917 12.928 1.00 0.00 C ATOM 1506 NZ LYS A 94 181.065 7.994 13.952 1.00 0.00 N ATOM 0 H LYS A 94 182.968 7.038 6.912 1.00 0.00 H new ATOM 0 HA LYS A 94 183.811 5.239 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.724 7.655 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 94 181.214 6.768 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.169 5.482 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 94 183.473 6.652 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 94 182.074 8.423 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.642 7.675 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 94 180.256 6.367 12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 94 181.958 6.207 13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.819 7.572 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.968 8.504 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.318 8.658 13.665 1.00 0.00 H new ATOM 1520 N LEU A 95 180.995 4.517 7.364 1.00 0.00 N ATOM 1521 CA LEU A 95 180.006 3.462 7.139 1.00 0.00 C ATOM 1522 C LEU A 95 180.680 2.170 6.678 1.00 0.00 C ATOM 1523 O LEU A 95 180.285 1.077 7.086 1.00 0.00 O ATOM 1524 CB LEU A 95 178.968 3.909 6.102 1.00 0.00 C ATOM 1525 CG LEU A 95 177.791 4.714 6.664 1.00 0.00 C ATOM 1526 CD1 LEU A 95 177.355 5.789 5.678 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.626 3.793 7.003 1.00 0.00 C ATOM 0 H LEU A 95 180.899 5.321 6.744 1.00 0.00 H new ATOM 0 HA LEU A 95 179.501 3.270 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.470 4.510 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.576 3.025 5.599 1.00 0.00 H new ATOM 0 HG LEU A 95 178.119 5.205 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 95 176.518 6.349 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 95 178.187 6.467 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 95 177.047 5.322 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.800 4.383 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.300 3.272 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.943 3.064 7.749 1.00 0.00 H new ATOM 1539 N GLN A 96 181.703 2.302 5.832 1.00 0.00 N ATOM 1540 CA GLN A 96 182.435 1.144 5.327 1.00 0.00 C ATOM 1541 C GLN A 96 183.269 0.503 6.437 1.00 0.00 C ATOM 1542 O GLN A 96 183.328 -0.722 6.546 1.00 0.00 O ATOM 1543 CB GLN A 96 183.341 1.546 4.159 1.00 0.00 C ATOM 1544 CG GLN A 96 183.814 0.368 3.317 1.00 0.00 C ATOM 1545 CD GLN A 96 183.743 0.641 1.824 1.00 0.00 C ATOM 1546 OE1 GLN A 96 183.659 1.792 1.393 1.00 0.00 O ATOM 1547 NE2 GLN A 96 183.776 -0.420 1.022 1.00 0.00 N ATOM 0 H GLN A 96 182.042 3.199 5.484 1.00 0.00 H new ATOM 0 HA GLN A 96 181.707 0.415 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.804 2.246 3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.211 2.074 4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.841 0.124 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.206 -0.506 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 96 183.846 -1.357 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 96 183.731 -0.296 0.011 1.00 0.00 H new ATOM 1556 N ASP A 97 183.910 1.339 7.259 1.00 0.00 N ATOM 1557 CA ASP A 97 184.741 0.852 8.361 1.00 0.00 C ATOM 1558 C ASP A 97 183.913 0.041 9.360 1.00 0.00 C ATOM 1559 O ASP A 97 184.319 -1.048 9.768 1.00 0.00 O ATOM 1560 CB ASP A 97 185.426 2.024 9.075 1.00 0.00 C ATOM 1561 CG ASP A 97 186.362 1.569 10.180 1.00 0.00 C ATOM 1562 OD1 ASP A 97 187.371 0.903 9.867 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.086 1.882 11.357 1.00 0.00 O ATOM 0 H ASP A 97 183.869 2.355 7.181 1.00 0.00 H new ATOM 0 HA ASP A 97 185.505 0.198 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.987 2.610 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.666 2.682 9.496 1.00 0.00 H new ATOM 1568 N VAL A 98 182.752 0.574 9.747 1.00 0.00 N ATOM 1569 CA VAL A 98 181.871 -0.111 10.694 1.00 0.00 C ATOM 1570 C VAL A 98 181.313 -1.404 10.089 1.00 0.00 C ATOM 1571 O VAL A 98 181.266 -2.438 10.758 1.00 0.00 O ATOM 1572 CB VAL A 98 180.708 0.797 11.167 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.839 1.239 9.999 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.872 0.091 12.227 1.00 0.00 C ATOM 0 H VAL A 98 182.401 1.474 9.420 1.00 0.00 H new ATOM 0 HA VAL A 98 182.477 -0.360 11.565 1.00 0.00 H new ATOM 0 HB VAL A 98 181.143 1.692 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 98 179.033 1.874 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.445 1.797 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.416 0.363 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 98 179.061 0.745 12.546 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.456 -0.826 11.811 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.500 -0.152 13.084 1.00 0.00 H new ATOM 1584 N PHE A 99 180.898 -1.339 8.820 1.00 0.00 N ATOM 1585 CA PHE A 99 180.352 -2.506 8.127 1.00 0.00 C ATOM 1586 C PHE A 99 181.411 -3.599 7.992 1.00 0.00 C ATOM 1587 O PHE A 99 181.163 -4.755 8.334 1.00 0.00 O ATOM 1588 CB PHE A 99 179.828 -2.111 6.741 1.00 0.00 C ATOM 1589 CG PHE A 99 178.558 -2.818 6.346 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.375 -2.580 7.028 1.00 0.00 C ATOM 1591 CD2 PHE A 99 178.549 -3.719 5.292 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.208 -3.227 6.667 1.00 0.00 C ATOM 1593 CE2 PHE A 99 177.384 -4.368 4.927 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.213 -4.122 5.615 1.00 0.00 C ATOM 0 H PHE A 99 180.930 -0.491 8.254 1.00 0.00 H new ATOM 0 HA PHE A 99 179.524 -2.894 8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.655 -1.035 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.597 -2.323 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.365 -1.881 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 99 179.462 -3.916 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.293 -3.033 7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 99 177.390 -5.067 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.302 -4.628 5.331 1.00 0.00 H new ATOM 1604 N GLU A 100 182.595 -3.225 7.497 1.00 0.00 N ATOM 1605 CA GLU A 100 183.695 -4.174 7.324 1.00 0.00 C ATOM 1606 C GLU A 100 184.092 -4.801 8.660 1.00 0.00 C ATOM 1607 O GLU A 100 184.315 -6.010 8.741 1.00 0.00 O ATOM 1608 CB GLU A 100 184.910 -3.486 6.691 1.00 0.00 C ATOM 1609 CG GLU A 100 185.614 -4.335 5.643 1.00 0.00 C ATOM 1610 CD GLU A 100 186.669 -5.248 6.240 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.654 -4.728 6.805 1.00 0.00 O ATOM 1612 OE2 GLU A 100 186.509 -6.483 6.143 1.00 0.00 O ATOM 0 H GLU A 100 182.814 -2.271 7.210 1.00 0.00 H new ATOM 0 HA GLU A 100 183.349 -4.964 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.589 -2.550 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.621 -3.229 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.876 -4.937 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.080 -3.682 4.906 1.00 0.00 H new ATOM 1619 N MET A 101 184.171 -3.973 9.704 1.00 0.00 N ATOM 1620 CA MET A 101 184.534 -4.449 11.038 1.00 0.00 C ATOM 1621 C MET A 101 183.531 -5.492 11.529 1.00 0.00 C ATOM 1622 O MET A 101 183.918 -6.558 12.010 1.00 0.00 O ATOM 1623 CB MET A 101 184.604 -3.281 12.028 1.00 0.00 C ATOM 1624 CG MET A 101 185.993 -2.675 12.158 1.00 0.00 C ATOM 1625 SD MET A 101 186.779 -3.062 13.735 1.00 0.00 S ATOM 1626 CE MET A 101 186.124 -1.756 14.772 1.00 0.00 C ATOM 0 H MET A 101 183.988 -2.971 9.650 1.00 0.00 H new ATOM 0 HA MET A 101 185.518 -4.913 10.975 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.907 -2.505 11.712 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.274 -3.626 13.008 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.621 -3.039 11.345 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.924 -1.593 12.047 1.00 0.00 H new ATOM 0 HE1 MET A 101 186.520 -1.860 15.782 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.417 -0.788 14.366 1.00 0.00 H new ATOM 0 HE3 MET A 101 185.036 -1.824 14.800 1.00 0.00 H new ATOM 1636 N ARG A 102 182.241 -5.180 11.397 1.00 0.00 N ATOM 1637 CA ARG A 102 181.183 -6.096 11.820 1.00 0.00 C ATOM 1638 C ARG A 102 181.179 -7.355 10.951 1.00 0.00 C ATOM 1639 O ARG A 102 181.044 -8.467 11.462 1.00 0.00 O ATOM 1640 CB ARG A 102 179.816 -5.404 11.760 1.00 0.00 C ATOM 1641 CG ARG A 102 179.168 -5.211 13.124 1.00 0.00 C ATOM 1642 CD ARG A 102 178.423 -3.886 13.214 1.00 0.00 C ATOM 1643 NE ARG A 102 178.185 -3.483 14.601 1.00 0.00 N ATOM 1644 CZ ARG A 102 177.223 -3.995 15.377 1.00 0.00 C ATOM 1645 NH1 ARG A 102 176.392 -4.922 14.904 1.00 0.00 N ATOM 1646 NH2 ARG A 102 177.089 -3.573 16.630 1.00 0.00 N ATOM 0 H ARG A 102 181.905 -4.302 11.001 1.00 0.00 H new ATOM 0 HA ARG A 102 181.379 -6.389 12.851 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.932 -4.431 11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.148 -5.992 11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.476 -6.031 13.317 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.933 -5.251 13.899 1.00 0.00 H new ATOM 0 HD2 ARG A 102 178.998 -3.112 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 102 177.470 -3.970 12.692 1.00 0.00 H new ATOM 0 HE ARG A 102 178.791 -2.767 15.001 1.00 0.00 H new ATOM 0 HH11 ARG A 102 176.486 -5.248 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 102 175.662 -5.306 15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 102 177.719 -2.860 16.998 1.00 0.00 H new ATOM 0 HH22 ARG A 102 176.356 -3.962 17.224 1.00 0.00 H new ATOM 1660 N PHE A 103 181.335 -7.170 9.637 1.00 0.00 N ATOM 1661 CA PHE A 103 181.357 -8.290 8.694 1.00 0.00 C ATOM 1662 C PHE A 103 182.494 -9.260 9.019 1.00 0.00 C ATOM 1663 O PHE A 103 182.314 -10.477 8.972 1.00 0.00 O ATOM 1664 CB PHE A 103 181.509 -7.781 7.256 1.00 0.00 C ATOM 1665 CG PHE A 103 180.439 -8.276 6.320 1.00 0.00 C ATOM 1666 CD1 PHE A 103 180.272 -9.633 6.092 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.602 -7.383 5.670 1.00 0.00 C ATOM 1668 CE1 PHE A 103 179.290 -10.090 5.233 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.618 -7.834 4.811 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.462 -9.189 4.592 1.00 0.00 C ATOM 0 H PHE A 103 181.448 -6.254 9.203 1.00 0.00 H new ATOM 0 HA PHE A 103 180.409 -8.820 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.497 -6.691 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.483 -8.086 6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 103 180.916 -10.341 6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 103 179.720 -6.322 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 103 179.170 -11.150 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.971 -7.128 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.694 -9.543 3.921 1.00 0.00 H new ATOM 1680 N ALA A 104 183.663 -8.711 9.353 1.00 0.00 N ATOM 1681 CA ALA A 104 184.827 -9.521 9.694 1.00 0.00 C ATOM 1682 C ALA A 104 184.610 -10.258 11.010 1.00 0.00 C ATOM 1683 O ALA A 104 185.035 -11.400 11.162 1.00 0.00 O ATOM 1684 CB ALA A 104 186.078 -8.656 9.772 1.00 0.00 C ATOM 0 H ALA A 104 183.826 -7.705 9.394 1.00 0.00 H new ATOM 0 HA ALA A 104 184.965 -10.261 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.935 -9.279 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.251 -8.178 8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.944 -7.891 10.537 1.00 0.00 H new ATOM 1690 N LYS A 105 183.942 -9.602 11.962 1.00 0.00 N ATOM 1691 CA LYS A 105 183.671 -10.214 13.262 1.00 0.00 C ATOM 1692 C LYS A 105 182.700 -11.386 13.118 1.00 0.00 C ATOM 1693 O LYS A 105 182.915 -12.449 13.700 1.00 0.00 O ATOM 1694 CB LYS A 105 183.105 -9.180 14.242 1.00 0.00 C ATOM 1695 CG LYS A 105 183.244 -9.589 15.702 1.00 0.00 C ATOM 1696 CD LYS A 105 182.372 -8.737 16.611 1.00 0.00 C ATOM 1697 CE LYS A 105 182.924 -8.693 18.029 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.679 -7.379 18.686 1.00 0.00 N ATOM 0 H LYS A 105 183.582 -8.654 11.857 1.00 0.00 H new ATOM 0 HA LYS A 105 184.614 -10.590 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.615 -8.229 14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.051 -9.017 14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.970 -10.638 15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.286 -9.498 16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.308 -7.725 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 105 181.359 -9.138 16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 105 182.465 -9.485 18.621 1.00 0.00 H new ATOM 0 HE3 LYS A 105 183.995 -8.892 18.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 183.071 -7.394 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 183.139 -6.625 18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 181.656 -7.199 18.732 1.00 0.00 H new ATOM 1712 N MET A 106 181.633 -11.190 12.336 1.00 0.00 N ATOM 1713 CA MET A 106 180.640 -12.245 12.117 1.00 0.00 C ATOM 1714 C MET A 106 181.218 -13.385 11.274 1.00 0.00 C ATOM 1715 O MET A 106 180.856 -14.548 11.464 1.00 0.00 O ATOM 1716 CB MET A 106 179.371 -11.684 11.456 1.00 0.00 C ATOM 1717 CG MET A 106 179.595 -11.058 10.085 1.00 0.00 C ATOM 1718 SD MET A 106 178.162 -11.226 9.002 1.00 0.00 S ATOM 1719 CE MET A 106 178.306 -12.943 8.512 1.00 0.00 C ATOM 0 H MET A 106 181.436 -10.316 11.848 1.00 0.00 H new ATOM 0 HA MET A 106 180.370 -12.645 13.094 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.642 -12.488 11.359 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.934 -10.935 12.116 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.832 -10.001 10.207 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.459 -11.526 9.613 1.00 0.00 H new ATOM 0 HE1 MET A 106 178.321 -13.011 7.424 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.229 -13.360 8.914 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.456 -13.504 8.899 1.00 0.00 H new ATOM 1729 N LEU A 107 182.113 -13.049 10.342 1.00 0.00 N ATOM 1730 CA LEU A 107 182.731 -14.049 9.477 1.00 0.00 C ATOM 1731 C LEU A 107 183.892 -14.752 10.180 1.00 0.00 C ATOM 1732 O LEU A 107 184.040 -15.969 10.074 1.00 0.00 O ATOM 1733 CB LEU A 107 183.219 -13.402 8.179 1.00 0.00 C ATOM 1734 CG LEU A 107 182.153 -13.250 7.088 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.685 -12.409 5.936 1.00 0.00 C ATOM 1736 CD2 LEU A 107 181.693 -14.615 6.589 1.00 0.00 C ATOM 0 H LEU A 107 182.424 -12.093 10.169 1.00 0.00 H new ATOM 0 HA LEU A 107 181.975 -14.797 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.622 -12.416 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.041 -13.997 7.781 1.00 0.00 H new ATOM 0 HG LEU A 107 181.293 -12.738 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.915 -12.312 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.959 -11.420 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.563 -12.892 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 107 180.937 -14.484 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.544 -15.157 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 107 181.269 -15.182 7.418 1.00 0.00 H new ATOM 1748 N GLN A 108 184.712 -13.982 10.898 1.00 0.00 N ATOM 1749 CA GLN A 108 185.858 -14.541 11.620 1.00 0.00 C ATOM 1750 C GLN A 108 185.461 -15.005 13.027 1.00 0.00 C ATOM 1751 O GLN A 108 184.246 -15.083 13.310 1.00 0.00 O ATOM 1752 CB GLN A 108 186.987 -13.508 11.707 1.00 0.00 C ATOM 1753 CG GLN A 108 187.483 -13.030 10.349 1.00 0.00 C ATOM 1754 CD GLN A 108 188.982 -12.784 10.320 1.00 0.00 C ATOM 1755 OE1 GLN A 108 189.736 -13.382 11.087 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.423 -11.901 9.430 1.00 0.00 N ATOM 0 H GLN A 108 184.605 -12.972 10.995 1.00 0.00 H new ATOM 0 HA GLN A 108 186.209 -15.410 11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.638 -12.649 12.280 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.822 -13.941 12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.227 -13.772 9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.964 -12.110 10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 108 188.764 -11.427 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.420 -11.697 9.365 1.00 0.00 H new TER 1765 GLN A 108