USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1060 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 87 THR OG1 : rot 146:sc= -1.33! USER MOD Set 1.2: A 109 LYS NZ :NH3+ 161:sc= -1.37! (180deg=-1.36!) USER MOD Set 2.1: A 49 CYS SG : rot 142:sc= -2.02 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -116:sc= -8.66! (180deg=-0.0947) USER MOD Set 2.3: A 107 GLN : amide:sc= -8.07! C(o=-19!,f=-13!) USER MOD Set 3.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 42 ASN : amide:sc= -4.29! C(o=-11!,f=-4.7!) USER MOD Set 4.2: A 82 ASN : amide:sc= -7.17! C(o=-11!,f=-5.8!) USER MOD Set 5.1: A 16 SER OG : rot 159:sc= -1.69 USER MOD Set 5.2: A 19 ASN : amide:sc= -3.65! K(o=-5.3!,f=-3.3) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.1!) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0129 (180deg=-0.322) USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -2.04 (180deg=-4.56!) USER MOD Single : A 22 ASN : amide:sc= -1.82 K(o=-1.8,f=-3!) USER MOD Single : A 23 HIS : no HD1:sc= -5.52! C(o=-5.5!,f=-21!) USER MOD Single : A 25 CYS SG : rot -27:sc= -0.407 USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -1.54 (180deg=-3.8!) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0662 (180deg=-0.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 48 SER OG : rot -31:sc= 0.762 USER MOD Single : A 52 TYR OH : rot 2:sc= 0.399 USER MOD Single : A 54 LYS NZ :NH3+ -107:sc= -1.23 (180deg=-2.88!) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0204) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0663) USER MOD Single : A 62 SER OG : rot 180:sc= -0.684 USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= -2.89 (180deg=-4.73!) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= -0.121 (180deg=-0.724) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.113 USER MOD Single : A 70 ASN : amide:sc= -1.97 X(o=-2,f=-1.6) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 76 GLN : amide:sc= -0.0094 K(o=-0.0094,f=-1.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= -2.45! (180deg=-4.83!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -96:sc= 0.654 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 92 SER OG : rot -33:sc= 0.377 USER MOD Single : A 94 ASN : amide:sc= -1.99 K(o=-2,f=-0.95) USER MOD Single : A 95 MET CE :methyl -151:sc= -2.88 (180deg=-5.35!) USER MOD Single : A 102 CYS SG : rot -109:sc= -2.94 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.5!) USER MOD Single : A 114 MET CE :methyl -161:sc= -1.73 (180deg=-2.36) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -47:sc= -0.33 USER MOD Single : A 119 TYR OH : rot -153:sc= -2.15! USER MOD Single : A 124 LYS NZ :NH3+ 135:sc= -0.108 (180deg=-0.713) USER MOD Single : A 125 SER OG : rot -31:sc= 0.287 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 173:sc= -1.01! USER MOD Single : A 133 ASN : amide:sc= -0.807 K(o=-0.81,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.639 2.248 -13.583 1.00 17.32 N ATOM 2 CA VAL A 5 -9.396 1.603 -12.464 1.00 16.53 C ATOM 3 C VAL A 5 -10.845 2.103 -12.476 1.00 15.62 C ATOM 4 O VAL A 5 -11.103 3.275 -12.665 1.00 15.21 O ATOM 5 CB VAL A 5 -8.734 1.982 -11.136 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.943 3.472 -10.867 1.00 18.70 C ATOM 7 CG2 VAL A 5 -9.364 1.172 -10.005 1.00 17.86 C ATOM 0 HA VAL A 5 -9.388 0.520 -12.585 1.00 16.53 H new ATOM 0 HB VAL A 5 -7.667 1.768 -11.190 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.472 3.741 -9.922 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -8.496 4.053 -11.673 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -10.010 3.686 -10.814 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -8.894 1.441 -9.059 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -10.431 1.388 -9.954 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -9.217 0.109 -10.194 1.00 17.86 H new ATOM 17 N SER A 6 -11.789 1.227 -12.275 1.00 15.43 N ATOM 18 CA SER A 6 -13.217 1.656 -12.274 1.00 14.66 C ATOM 19 C SER A 6 -13.538 2.377 -10.961 1.00 13.40 C ATOM 20 O SER A 6 -12.813 2.277 -9.991 1.00 12.58 O ATOM 21 CB SER A 6 -14.118 0.429 -12.414 1.00 15.49 C ATOM 22 OG SER A 6 -13.943 -0.413 -11.283 1.00 15.97 O ATOM 0 H SER A 6 -11.635 0.232 -12.111 1.00 15.43 H new ATOM 0 HA SER A 6 -13.391 2.333 -13.110 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.161 0.736 -12.495 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.874 -0.114 -13.327 1.00 15.49 H new ATOM 0 HG SER A 6 -14.521 -1.200 -11.369 1.00 15.97 H new ATOM 28 N GLN A 7 -14.624 3.105 -10.924 1.00 13.37 N ATOM 29 CA GLN A 7 -14.998 3.835 -9.677 1.00 12.23 C ATOM 30 C GLN A 7 -15.387 2.827 -8.591 1.00 11.36 C ATOM 31 O GLN A 7 -15.288 3.096 -7.414 1.00 10.97 O ATOM 32 CB GLN A 7 -16.190 4.756 -9.956 1.00 13.19 C ATOM 33 CG GLN A 7 -15.777 5.860 -10.933 1.00 13.36 C ATOM 34 CD GLN A 7 -14.758 6.784 -10.263 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.885 7.106 -9.098 1.00 13.82 O ATOM 36 NE2 GLN A 7 -13.749 7.233 -10.957 1.00 13.77 N ATOM 0 H GLN A 7 -15.269 3.225 -11.705 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.148 4.429 -9.341 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.016 4.180 -10.373 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.546 5.197 -9.025 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.348 5.421 -11.833 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.652 6.431 -11.243 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -13.642 6.963 -11.935 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -13.067 7.854 -10.522 1.00 13.77 H new ATOM 45 N GLU A 8 -15.852 1.679 -8.977 1.00 13.01 N ATOM 46 CA GLU A 8 -16.260 0.664 -7.967 1.00 12.24 C ATOM 47 C GLU A 8 -15.034 0.111 -7.229 1.00 11.73 C ATOM 48 O GLU A 8 -15.073 -0.132 -6.039 1.00 11.71 O ATOM 49 CB GLU A 8 -16.983 -0.480 -8.675 1.00 13.27 C ATOM 50 CG GLU A 8 -18.293 0.044 -9.264 1.00 13.55 C ATOM 51 CD GLU A 8 -19.024 -1.094 -9.975 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.442 -2.159 -10.099 1.00 15.06 O ATOM 53 OE2 GLU A 8 -20.153 -0.881 -10.383 1.00 14.92 O ATOM 0 H GLU A 8 -15.969 1.395 -9.950 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.921 1.135 -7.239 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -16.354 -0.891 -9.464 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -17.184 -1.290 -7.973 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.921 0.456 -8.473 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.091 0.854 -9.965 1.00 13.55 H new ATOM 60 N GLU A 9 -13.958 -0.119 -7.930 1.00 11.46 N ATOM 61 CA GLU A 9 -12.743 -0.690 -7.273 1.00 11.12 C ATOM 62 C GLU A 9 -12.044 0.340 -6.379 1.00 10.28 C ATOM 63 O GLU A 9 -11.582 0.011 -5.307 1.00 10.32 O ATOM 64 CB GLU A 9 -11.773 -1.171 -8.353 1.00 12.40 C ATOM 65 CG GLU A 9 -12.350 -2.406 -9.044 1.00 13.24 C ATOM 66 CD GLU A 9 -11.401 -2.868 -10.151 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.470 -2.136 -10.451 1.00 14.68 O ATOM 68 OE2 GLU A 9 -11.623 -3.941 -10.686 1.00 14.26 O ATOM 0 H GLU A 9 -13.865 0.063 -8.929 1.00 11.46 H new ATOM 0 HA GLU A 9 -13.055 -1.521 -6.641 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.603 -0.379 -9.083 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.806 -1.408 -7.909 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.495 -3.206 -8.318 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -13.329 -2.176 -9.464 1.00 13.24 H new ATOM 75 N VAL A 10 -11.945 1.576 -6.790 1.00 9.75 N ATOM 76 CA VAL A 10 -11.255 2.567 -5.916 1.00 9.10 C ATOM 77 C VAL A 10 -12.038 2.718 -4.610 1.00 7.91 C ATOM 78 O VAL A 10 -11.474 2.967 -3.564 1.00 7.70 O ATOM 79 CB VAL A 10 -11.135 3.922 -6.612 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.389 3.754 -7.934 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.526 4.479 -6.882 1.00 11.17 C ATOM 0 H VAL A 10 -12.304 1.937 -7.674 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.248 2.207 -5.704 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.585 4.611 -5.971 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.304 4.721 -8.429 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.393 3.356 -7.742 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.937 3.064 -8.576 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.441 5.446 -7.378 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.076 3.789 -7.522 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.058 4.601 -5.939 1.00 11.17 H new ATOM 91 N LYS A 11 -13.332 2.560 -4.659 1.00 7.38 N ATOM 92 CA LYS A 11 -14.145 2.685 -3.417 1.00 6.32 C ATOM 93 C LYS A 11 -13.676 1.641 -2.413 1.00 5.68 C ATOM 94 O LYS A 11 -13.675 1.870 -1.220 1.00 5.93 O ATOM 95 CB LYS A 11 -15.627 2.462 -3.739 1.00 8.26 C ATOM 96 CG LYS A 11 -16.179 3.639 -4.556 1.00 8.64 C ATOM 97 CD LYS A 11 -16.546 4.809 -3.634 1.00 9.23 C ATOM 98 CE LYS A 11 -17.211 5.914 -4.457 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.228 6.462 -5.436 1.00 10.51 N ATOM 0 H LYS A 11 -13.861 2.350 -5.505 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.022 3.684 -2.998 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.749 1.534 -4.298 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.195 2.354 -2.815 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.437 3.963 -5.286 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -17.058 3.320 -5.116 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.221 4.469 -2.848 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.652 5.194 -3.143 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.081 5.519 -4.981 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.568 6.707 -3.800 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.565 7.381 -5.789 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -15.307 6.587 -4.970 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -16.126 5.801 -6.233 1.00 10.51 H new ATOM 113 N LYS A 12 -13.260 0.500 -2.881 1.00 5.08 N ATOM 114 CA LYS A 12 -12.779 -0.538 -1.937 1.00 4.72 C ATOM 115 C LYS A 12 -11.600 0.049 -1.178 1.00 4.34 C ATOM 116 O LYS A 12 -11.425 -0.178 0.002 1.00 4.65 O ATOM 117 CB LYS A 12 -12.320 -1.777 -2.705 1.00 6.91 C ATOM 118 CG LYS A 12 -13.531 -2.487 -3.314 1.00 7.86 C ATOM 119 CD LYS A 12 -13.058 -3.650 -4.195 1.00 8.86 C ATOM 120 CE LYS A 12 -12.328 -4.700 -3.343 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.900 -4.301 -3.173 1.00 10.82 N ATOM 0 H LYS A 12 -13.233 0.244 -3.868 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.579 -0.831 -1.257 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.621 -1.491 -3.491 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.788 -2.454 -2.037 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.183 -2.859 -2.523 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.117 -1.784 -3.906 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.912 -4.107 -4.695 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.393 -3.278 -4.975 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.809 -4.791 -2.369 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.389 -5.677 -3.821 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -10.283 -5.075 -3.491 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.707 -3.450 -3.739 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.713 -4.099 -2.170 1.00 10.82 H new ATOM 135 N TRP A 13 -10.789 0.817 -1.851 1.00 4.15 N ATOM 136 CA TRP A 13 -9.622 1.434 -1.173 1.00 3.58 C ATOM 137 C TRP A 13 -10.130 2.313 -0.029 1.00 2.38 C ATOM 138 O TRP A 13 -9.446 2.542 0.937 1.00 2.83 O ATOM 139 CB TRP A 13 -8.834 2.296 -2.163 1.00 4.70 C ATOM 140 CG TRP A 13 -8.503 1.506 -3.399 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.670 0.167 -3.554 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.951 1.993 -4.658 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.271 -0.189 -4.830 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.818 0.899 -5.547 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.563 3.267 -5.114 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -7.317 1.063 -6.839 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -7.058 3.434 -6.414 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.937 2.334 -7.274 1.00 6.26 C ATOM 0 H TRP A 13 -10.886 1.042 -2.841 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.968 0.652 -0.788 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.417 3.177 -2.432 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.916 2.652 -1.695 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -9.052 -0.509 -2.804 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.307 -1.140 -5.196 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.654 4.122 -4.460 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -7.224 0.212 -7.498 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.761 4.416 -6.753 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.550 2.470 -8.273 1.00 6.26 H new ATOM 159 N ALA A 14 -11.330 2.810 -0.122 1.00 0.01 N ATOM 160 CA ALA A 14 -11.855 3.666 0.981 1.00 0.01 C ATOM 161 C ALA A 14 -12.372 2.768 2.110 1.00 0.01 C ATOM 162 O ALA A 14 -12.683 3.232 3.190 1.00 0.01 O ATOM 163 CB ALA A 14 -12.997 4.537 0.454 1.00 0.00 C ATOM 0 H ALA A 14 -11.967 2.664 -0.905 1.00 0.01 H new ATOM 0 HA ALA A 14 -11.059 4.308 1.359 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.380 5.162 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.629 5.171 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.797 3.899 0.078 1.00 0.00 H new ATOM 169 N GLU A 15 -12.467 1.483 1.869 1.00 0.01 N ATOM 170 CA GLU A 15 -12.969 0.551 2.928 1.00 0.01 C ATOM 171 C GLU A 15 -11.800 -0.060 3.717 1.00 0.01 C ATOM 172 O GLU A 15 -11.963 -0.436 4.861 1.00 0.01 O ATOM 173 CB GLU A 15 -13.781 -0.582 2.273 1.00 0.01 C ATOM 174 CG GLU A 15 -15.199 -0.098 1.941 1.00 0.01 C ATOM 175 CD GLU A 15 -15.144 0.902 0.786 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.709 2.017 1.015 1.00 0.01 O ATOM 177 OE2 GLU A 15 -15.544 0.536 -0.307 1.00 0.01 O ATOM 0 H GLU A 15 -12.219 1.039 0.985 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.599 1.117 3.614 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -13.282 -0.918 1.364 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.830 -1.439 2.945 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.829 -0.945 1.671 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.649 0.368 2.817 1.00 0.01 H new ATOM 184 N SER A 16 -10.631 -0.177 3.137 1.00 0.01 N ATOM 185 CA SER A 16 -9.502 -0.785 3.907 1.00 0.01 C ATOM 186 C SER A 16 -8.170 -0.636 3.164 1.00 0.00 C ATOM 187 O SER A 16 -8.101 -0.693 1.954 1.00 0.00 O ATOM 188 CB SER A 16 -9.778 -2.277 4.112 1.00 0.01 C ATOM 189 OG SER A 16 -9.716 -2.941 2.856 1.00 0.01 O ATOM 0 H SER A 16 -10.412 0.115 2.185 1.00 0.01 H new ATOM 0 HA SER A 16 -9.429 -0.265 4.862 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.047 -2.703 4.799 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.760 -2.419 4.564 1.00 0.01 H new ATOM 0 HG SER A 16 -9.554 -3.897 2.999 1.00 0.01 H new ATOM 195 N LEU A 17 -7.107 -0.467 3.908 1.00 0.00 N ATOM 196 CA LEU A 17 -5.752 -0.338 3.299 1.00 0.00 C ATOM 197 C LEU A 17 -5.416 -1.609 2.519 1.00 0.01 C ATOM 198 O LEU A 17 -4.843 -1.560 1.450 1.00 0.00 O ATOM 199 CB LEU A 17 -4.732 -0.112 4.418 1.00 0.01 C ATOM 200 CG LEU A 17 -3.297 -0.185 3.877 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.105 0.826 2.742 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.329 0.145 5.014 1.00 0.00 C ATOM 0 H LEU A 17 -7.123 -0.412 4.926 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.727 0.506 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.902 0.861 4.879 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.869 -0.862 5.197 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.106 -1.187 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.083 0.763 2.368 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.802 0.603 1.934 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.294 1.833 3.116 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.304 0.097 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.534 1.149 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.458 -0.575 5.822 1.00 0.00 H new ATOM 214 N GLU A 18 -5.762 -2.748 3.049 1.00 0.01 N ATOM 215 CA GLU A 18 -5.455 -4.020 2.345 1.00 0.00 C ATOM 216 C GLU A 18 -6.040 -3.971 0.936 1.00 0.00 C ATOM 217 O GLU A 18 -5.434 -4.427 -0.011 1.00 0.01 O ATOM 218 CB GLU A 18 -6.086 -5.188 3.103 1.00 0.01 C ATOM 219 CG GLU A 18 -5.362 -5.396 4.432 1.00 0.01 C ATOM 220 CD GLU A 18 -5.999 -6.566 5.182 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.046 -7.020 4.749 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.430 -6.989 6.174 1.00 0.01 O ATOM 0 H GLU A 18 -6.245 -2.852 3.941 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.374 -4.154 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.143 -4.989 3.282 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.030 -6.096 2.502 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.305 -5.596 4.255 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.419 -4.490 5.035 1.00 0.01 H new ATOM 229 N ASN A 19 -7.215 -3.428 0.788 1.00 0.01 N ATOM 230 CA ASN A 19 -7.835 -3.365 -0.565 1.00 0.00 C ATOM 231 C ASN A 19 -6.934 -2.561 -1.504 1.00 0.00 C ATOM 232 O ASN A 19 -6.638 -2.982 -2.607 1.00 0.01 O ATOM 233 CB ASN A 19 -9.196 -2.676 -0.466 1.00 0.01 C ATOM 234 CG ASN A 19 -10.185 -3.583 0.267 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.313 -3.200 0.512 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.809 -4.777 0.635 1.00 0.01 N ATOM 0 H ASN A 19 -7.772 -3.026 1.542 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.959 -4.376 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.096 -1.729 0.064 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.570 -2.446 -1.463 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.461 -5.388 1.127 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -8.863 -5.100 0.430 1.00 0.01 H new ATOM 243 N LEU A 20 -6.486 -1.413 -1.079 1.00 0.00 N ATOM 244 CA LEU A 20 -5.597 -0.594 -1.950 1.00 0.01 C ATOM 245 C LEU A 20 -4.336 -1.402 -2.268 1.00 0.01 C ATOM 246 O LEU A 20 -3.927 -1.516 -3.405 1.00 0.00 O ATOM 247 CB LEU A 20 -5.231 0.703 -1.212 1.00 0.00 C ATOM 248 CG LEU A 20 -4.301 1.589 -2.063 1.00 0.01 C ATOM 249 CD1 LEU A 20 -5.048 2.144 -3.282 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.821 2.757 -1.205 1.00 0.01 C ATOM 0 H LEU A 20 -6.696 -1.007 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.103 -0.340 -2.882 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.139 1.254 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.743 0.461 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.459 0.990 -2.410 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.373 2.767 -3.870 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.407 1.318 -3.896 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.896 2.742 -2.948 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -3.161 3.394 -1.794 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.680 3.338 -0.868 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.279 2.374 -0.340 1.00 0.01 H new ATOM 262 N ILE A 21 -3.719 -1.965 -1.267 1.00 0.01 N ATOM 263 CA ILE A 21 -2.486 -2.767 -1.500 1.00 0.00 C ATOM 264 C ILE A 21 -2.838 -4.072 -2.225 1.00 0.00 C ATOM 265 O ILE A 21 -2.020 -4.643 -2.917 1.00 0.00 O ATOM 266 CB ILE A 21 -1.828 -3.082 -0.151 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.408 -1.773 0.521 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.590 -3.960 -0.349 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.954 -2.054 1.954 1.00 0.01 C ATOM 0 H ILE A 21 -4.017 -1.904 -0.293 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.794 -2.197 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.545 -3.616 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.600 -1.306 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.241 -1.070 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.136 -4.173 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.880 -4.895 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.129 -3.438 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.655 -1.120 2.431 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.775 -2.501 2.515 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.108 -2.741 1.939 1.00 0.01 H new ATOM 281 N ASN A 22 -4.039 -4.562 -2.058 1.00 0.00 N ATOM 282 CA ASN A 22 -4.422 -5.848 -2.723 1.00 0.01 C ATOM 283 C ASN A 22 -5.000 -5.583 -4.115 1.00 0.01 C ATOM 284 O ASN A 22 -5.359 -6.501 -4.825 1.00 0.01 O ATOM 285 CB ASN A 22 -5.480 -6.558 -1.881 1.00 0.01 C ATOM 286 CG ASN A 22 -4.846 -7.071 -0.588 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.646 -7.246 -0.514 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.606 -7.318 0.442 1.00 0.01 N ATOM 0 H ASN A 22 -4.770 -4.131 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.531 -6.468 -2.817 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.296 -5.873 -1.651 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.909 -7.388 -2.442 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -5.193 -7.658 1.310 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.613 -7.171 0.379 1.00 0.01 H new ATOM 295 N HIS A 23 -5.097 -4.343 -4.523 1.00 0.01 N ATOM 296 CA HIS A 23 -5.658 -4.045 -5.878 1.00 0.01 C ATOM 297 C HIS A 23 -4.512 -3.919 -6.889 1.00 0.01 C ATOM 298 O HIS A 23 -3.479 -3.346 -6.604 1.00 0.01 O ATOM 299 CB HIS A 23 -6.446 -2.734 -5.834 1.00 0.00 C ATOM 300 CG HIS A 23 -7.280 -2.609 -7.080 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.786 -2.047 -8.247 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.573 -2.977 -7.359 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.767 -2.095 -9.167 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.878 -2.652 -8.678 1.00 0.01 N ATOM 0 H HIS A 23 -4.814 -3.527 -3.980 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.323 -4.855 -6.179 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.085 -2.711 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.762 -1.889 -5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.250 -3.447 -6.661 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.668 -1.728 -10.178 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.760 -2.806 -9.166 1.00 0.01 H new ATOM 312 N GLU A 24 -4.687 -4.463 -8.064 1.00 0.01 N ATOM 313 CA GLU A 24 -3.612 -4.396 -9.098 1.00 0.01 C ATOM 314 C GLU A 24 -3.293 -2.938 -9.431 1.00 0.01 C ATOM 315 O GLU A 24 -2.149 -2.568 -9.612 1.00 0.01 O ATOM 316 CB GLU A 24 -4.085 -5.109 -10.366 1.00 0.01 C ATOM 317 CG GLU A 24 -2.965 -5.109 -11.411 1.00 0.01 C ATOM 318 CD GLU A 24 -3.444 -5.828 -12.671 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.583 -6.270 -12.680 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.670 -5.920 -13.609 1.00 0.00 O ATOM 0 H GLU A 24 -5.533 -4.954 -8.354 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.715 -4.880 -8.711 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.376 -6.133 -10.131 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.968 -4.611 -10.766 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.677 -4.085 -11.651 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -2.080 -5.604 -11.011 1.00 0.01 H new ATOM 327 N CYS A 25 -4.292 -2.101 -9.516 1.00 0.01 N ATOM 328 CA CYS A 25 -4.028 -0.674 -9.846 1.00 0.01 C ATOM 329 C CYS A 25 -3.633 0.049 -8.568 1.00 0.01 C ATOM 330 O CYS A 25 -2.896 1.015 -8.590 1.00 0.00 O ATOM 331 CB CYS A 25 -5.292 -0.037 -10.426 1.00 0.01 C ATOM 332 SG CYS A 25 -4.953 1.690 -10.855 1.00 0.00 S ATOM 0 H CYS A 25 -5.272 -2.343 -9.372 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.227 -0.602 -10.582 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.616 -0.586 -11.310 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -6.105 -0.091 -9.702 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.995 2.144 -10.102 1.00 0.00 H new ATOM 338 N GLY A 26 -4.094 -0.428 -7.448 1.00 0.01 N ATOM 339 CA GLY A 26 -3.715 0.218 -6.170 1.00 0.01 C ATOM 340 C GLY A 26 -2.212 0.059 -5.987 1.00 0.01 C ATOM 341 O GLY A 26 -1.510 1.004 -5.732 1.00 0.01 O ATOM 0 H GLY A 26 -4.714 -1.234 -7.365 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.987 1.273 -6.182 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.250 -0.240 -5.338 1.00 0.01 H new ATOM 345 N LEU A 27 -1.708 -1.132 -6.137 1.00 0.01 N ATOM 346 CA LEU A 27 -0.244 -1.337 -5.982 1.00 0.00 C ATOM 347 C LEU A 27 0.495 -0.475 -7.007 1.00 0.00 C ATOM 348 O LEU A 27 1.408 0.251 -6.675 1.00 0.00 O ATOM 349 CB LEU A 27 0.097 -2.809 -6.228 1.00 0.00 C ATOM 350 CG LEU A 27 -0.434 -3.681 -5.077 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.405 -5.148 -5.511 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.446 -3.509 -3.824 1.00 0.01 C ATOM 0 H LEU A 27 -2.245 -1.970 -6.360 1.00 0.01 H new ATOM 0 HA LEU A 27 0.057 -1.056 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.338 -3.137 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.177 -2.929 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.453 -3.376 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.780 -5.774 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.033 -5.279 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.619 -5.437 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.058 -4.132 -3.018 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.469 -3.808 -4.054 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.435 -2.465 -3.512 1.00 0.01 H new ATOM 364 N ALA A 28 0.108 -0.540 -8.248 1.00 0.00 N ATOM 365 CA ALA A 28 0.806 0.282 -9.276 1.00 0.00 C ATOM 366 C ALA A 28 0.675 1.757 -8.908 1.00 0.01 C ATOM 367 O ALA A 28 1.646 2.491 -8.872 1.00 0.00 O ATOM 368 CB ALA A 28 0.164 0.037 -10.641 1.00 0.00 C ATOM 0 H ALA A 28 -0.655 -1.121 -8.595 1.00 0.00 H new ATOM 0 HA ALA A 28 1.860 0.007 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.673 0.637 -11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.249 -1.019 -10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.889 0.317 -10.604 1.00 0.00 H new ATOM 374 N ALA A 29 -0.515 2.194 -8.627 1.00 0.00 N ATOM 375 CA ALA A 29 -0.718 3.618 -8.254 1.00 0.01 C ATOM 376 C ALA A 29 -0.075 3.886 -6.891 1.00 0.00 C ATOM 377 O ALA A 29 0.506 4.928 -6.662 1.00 0.00 O ATOM 378 CB ALA A 29 -2.217 3.910 -8.171 1.00 0.01 C ATOM 0 H ALA A 29 -1.361 1.625 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.259 4.260 -9.006 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.370 4.954 -7.897 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.679 3.717 -9.139 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.672 3.267 -7.417 1.00 0.01 H new ATOM 384 N PHE A 30 -0.201 2.966 -5.977 1.00 0.00 N ATOM 385 CA PHE A 30 0.372 3.180 -4.621 1.00 0.00 C ATOM 386 C PHE A 30 1.904 3.177 -4.659 1.00 0.00 C ATOM 387 O PHE A 30 2.534 4.027 -4.068 1.00 0.00 O ATOM 388 CB PHE A 30 -0.117 2.095 -3.658 1.00 0.00 C ATOM 389 CG PHE A 30 0.260 2.486 -2.256 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.361 3.588 -1.669 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.216 1.758 -1.546 1.00 0.00 C ATOM 392 CE1 PHE A 30 -0.029 3.972 -0.372 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.551 2.140 -0.243 1.00 0.00 C ATOM 394 CZ PHE A 30 0.926 3.249 0.345 1.00 0.00 C ATOM 0 H PHE A 30 -0.677 2.074 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 30 0.035 4.155 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.198 1.977 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.329 1.134 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.102 4.146 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.695 0.903 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.510 4.828 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.291 1.581 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.183 3.544 1.352 1.00 0.00 H new ATOM 404 N LYS A 31 2.522 2.240 -5.330 1.00 0.00 N ATOM 405 CA LYS A 31 4.012 2.231 -5.349 1.00 0.00 C ATOM 406 C LYS A 31 4.518 3.543 -5.947 1.00 0.00 C ATOM 407 O LYS A 31 5.463 4.136 -5.457 1.00 0.00 O ATOM 408 CB LYS A 31 4.511 1.046 -6.180 1.00 0.00 C ATOM 409 CG LYS A 31 4.216 -0.258 -5.431 1.00 0.00 C ATOM 410 CD LYS A 31 4.745 -1.457 -6.229 1.00 0.00 C ATOM 411 CE LYS A 31 3.933 -1.659 -7.518 1.00 0.01 C ATOM 412 NZ LYS A 31 4.475 -0.783 -8.595 1.00 0.00 N ATOM 0 H LYS A 31 2.068 1.494 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 31 4.390 2.131 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.021 1.038 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.582 1.140 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.681 -0.234 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.142 -0.361 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.795 -1.300 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.693 -2.358 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.978 -2.703 -7.828 1.00 0.01 H new ATOM 0 HE3 LYS A 31 2.884 -1.425 -7.339 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.818 0.005 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.399 -0.406 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.587 -1.336 -9.469 1.00 0.00 H new ATOM 426 N ALA A 32 3.886 4.028 -6.978 1.00 0.00 N ATOM 427 CA ALA A 32 4.334 5.320 -7.559 1.00 0.00 C ATOM 428 C ALA A 32 4.005 6.427 -6.558 1.00 0.01 C ATOM 429 O ALA A 32 4.777 7.338 -6.338 1.00 0.00 O ATOM 430 CB ALA A 32 3.597 5.578 -8.875 1.00 0.00 C ATOM 0 H ALA A 32 3.088 3.591 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 32 5.405 5.295 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.928 6.526 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.813 4.773 -9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.524 5.619 -8.689 1.00 0.00 H new ATOM 436 N PHE A 33 2.857 6.339 -5.942 1.00 0.00 N ATOM 437 CA PHE A 33 2.454 7.364 -4.939 1.00 0.00 C ATOM 438 C PHE A 33 3.466 7.396 -3.793 1.00 0.00 C ATOM 439 O PHE A 33 3.818 8.442 -3.291 1.00 0.00 O ATOM 440 CB PHE A 33 1.082 7.017 -4.382 1.00 0.00 C ATOM 441 CG PHE A 33 0.635 8.118 -3.456 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.145 9.311 -3.989 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.710 7.946 -2.068 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.270 10.338 -3.139 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.295 8.973 -1.217 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.196 10.169 -1.752 1.00 0.00 C ATOM 0 H PHE A 33 2.176 5.594 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 33 2.421 8.341 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.366 6.895 -5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.122 6.068 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.087 9.440 -5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.088 7.022 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.648 11.262 -3.552 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.353 8.844 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.518 10.962 -1.094 1.00 0.00 H new ATOM 456 N LEU A 34 3.937 6.255 -3.371 1.00 0.00 N ATOM 457 CA LEU A 34 4.924 6.232 -2.255 1.00 0.00 C ATOM 458 C LEU A 34 6.148 7.026 -2.686 1.00 0.00 C ATOM 459 O LEU A 34 6.723 7.771 -1.918 1.00 0.00 O ATOM 460 CB LEU A 34 5.341 4.792 -1.951 1.00 0.00 C ATOM 461 CG LEU A 34 4.177 4.011 -1.305 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.520 2.497 -1.249 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.903 4.549 0.116 1.00 0.00 C ATOM 0 H LEU A 34 3.683 5.342 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 34 4.479 6.666 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.652 4.296 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.202 4.791 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 34 3.280 4.146 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.693 1.953 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.685 2.124 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.423 2.350 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.080 3.992 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.797 4.431 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.638 5.605 0.061 1.00 0.00 H new ATOM 475 N LYS A 35 6.544 6.882 -3.917 1.00 0.00 N ATOM 476 CA LYS A 35 7.723 7.642 -4.403 1.00 0.00 C ATOM 477 C LYS A 35 7.445 9.137 -4.217 1.00 0.01 C ATOM 478 O LYS A 35 8.315 9.900 -3.846 1.00 0.00 O ATOM 479 CB LYS A 35 7.948 7.333 -5.882 1.00 0.00 C ATOM 480 CG LYS A 35 9.225 8.021 -6.362 1.00 0.00 C ATOM 481 CD LYS A 35 9.444 7.708 -7.842 1.00 0.00 C ATOM 482 CE LYS A 35 10.721 8.395 -8.323 1.00 0.00 C ATOM 483 NZ LYS A 35 10.562 9.872 -8.205 1.00 0.01 N ATOM 0 H LYS A 35 6.103 6.272 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 35 8.615 7.360 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.025 6.256 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.096 7.676 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.149 9.098 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.078 7.679 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.520 6.631 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.591 8.051 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.572 8.061 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.927 8.122 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.241 10.346 -8.835 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 9.594 10.140 -8.475 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 10.740 10.163 -7.223 1.00 0.01 H new ATOM 497 N SER A 36 6.232 9.559 -4.463 1.00 0.00 N ATOM 498 CA SER A 36 5.891 11.001 -4.289 1.00 0.00 C ATOM 499 C SER A 36 6.141 11.400 -2.833 1.00 0.00 C ATOM 500 O SER A 36 6.559 12.503 -2.545 1.00 0.00 O ATOM 501 CB SER A 36 4.420 11.237 -4.638 1.00 0.00 C ATOM 502 OG SER A 36 4.191 10.858 -5.989 1.00 0.00 O ATOM 0 H SER A 36 5.463 8.967 -4.777 1.00 0.00 H new ATOM 0 HA SER A 36 6.513 11.603 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.779 10.659 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.164 12.287 -4.494 1.00 0.00 H new ATOM 0 HG SER A 36 3.249 11.006 -6.215 1.00 0.00 H new ATOM 508 N GLU A 37 5.886 10.506 -1.910 1.00 0.00 N ATOM 509 CA GLU A 37 6.106 10.824 -0.464 1.00 0.00 C ATOM 510 C GLU A 37 7.438 10.216 -0.021 1.00 0.00 C ATOM 511 O GLU A 37 7.804 10.273 1.135 1.00 0.00 O ATOM 512 CB GLU A 37 4.982 10.207 0.375 1.00 0.00 C ATOM 513 CG GLU A 37 3.669 10.945 0.109 1.00 0.00 C ATOM 514 CD GLU A 37 2.555 10.321 0.951 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.795 9.277 1.534 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.480 10.896 0.997 1.00 0.00 O ATOM 0 H GLU A 37 5.534 9.567 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 37 6.116 11.905 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.872 9.151 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.233 10.264 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.777 12.002 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.415 10.888 -0.949 1.00 0.00 H new ATOM 523 N TYR A 38 8.162 9.639 -0.943 1.00 0.00 N ATOM 524 CA TYR A 38 9.478 9.025 -0.608 1.00 0.00 C ATOM 525 C TYR A 38 9.285 7.953 0.461 1.00 0.00 C ATOM 526 O TYR A 38 10.179 7.651 1.225 1.00 0.00 O ATOM 527 CB TYR A 38 10.428 10.105 -0.102 1.00 0.00 C ATOM 528 CG TYR A 38 10.419 11.252 -1.082 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.038 11.109 -2.327 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.778 12.452 -0.750 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.019 12.166 -3.243 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.758 13.509 -1.666 1.00 0.00 C ATOM 533 CZ TYR A 38 10.379 13.367 -2.912 1.00 0.01 C ATOM 534 OH TYR A 38 10.357 14.409 -3.816 1.00 0.00 O ATOM 0 H TYR A 38 7.894 9.567 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 38 9.904 8.564 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.119 10.449 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.436 9.704 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.531 10.182 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.300 12.561 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.498 12.056 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.263 14.435 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 38 9.872 15.168 -3.429 1.00 0.00 H new ATOM 544 N SER A 39 8.121 7.366 0.504 1.00 0.00 N ATOM 545 CA SER A 39 7.842 6.295 1.504 1.00 0.00 C ATOM 546 C SER A 39 7.959 4.938 0.804 1.00 0.00 C ATOM 547 O SER A 39 7.390 3.953 1.232 1.00 0.00 O ATOM 548 CB SER A 39 6.431 6.488 2.071 1.00 0.00 C ATOM 549 OG SER A 39 5.582 6.994 1.048 1.00 0.00 O ATOM 0 H SER A 39 7.342 7.585 -0.118 1.00 0.00 H new ATOM 0 HA SER A 39 8.556 6.341 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.044 5.541 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.456 7.178 2.914 1.00 0.00 H new ATOM 0 HG SER A 39 4.678 7.118 1.405 1.00 0.00 H new ATOM 555 N GLU A 40 8.698 4.883 -0.275 1.00 0.00 N ATOM 556 CA GLU A 40 8.859 3.597 -1.011 1.00 0.00 C ATOM 557 C GLU A 40 9.587 2.598 -0.117 1.00 0.00 C ATOM 558 O GLU A 40 9.527 1.407 -0.318 1.00 0.00 O ATOM 559 CB GLU A 40 9.667 3.827 -2.291 1.00 0.00 C ATOM 560 CG GLU A 40 11.023 4.451 -1.946 1.00 0.00 C ATOM 561 CD GLU A 40 11.821 4.676 -3.231 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.504 4.037 -4.221 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.737 5.481 -3.203 1.00 0.00 O ATOM 0 H GLU A 40 9.197 5.676 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 40 7.878 3.205 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.814 2.882 -2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.117 4.482 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.878 5.397 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.576 3.797 -1.272 1.00 0.00 H new ATOM 570 N GLU A 41 10.270 3.069 0.880 1.00 0.00 N ATOM 571 CA GLU A 41 10.974 2.128 1.784 1.00 0.00 C ATOM 572 C GLU A 41 9.928 1.236 2.455 1.00 0.00 C ATOM 573 O GLU A 41 10.161 0.076 2.730 1.00 0.00 O ATOM 574 CB GLU A 41 11.735 2.927 2.843 1.00 0.00 C ATOM 575 CG GLU A 41 10.740 3.721 3.695 1.00 0.00 C ATOM 576 CD GLU A 41 11.498 4.708 4.583 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.712 4.607 4.645 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.852 5.549 5.185 1.00 0.00 O ATOM 0 H GLU A 41 10.372 4.058 1.108 1.00 0.00 H new ATOM 0 HA GLU A 41 11.681 1.514 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.315 2.254 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.442 3.604 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.042 4.257 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.150 3.042 4.310 1.00 0.00 H new ATOM 585 N ASN A 42 8.774 1.786 2.729 1.00 0.00 N ATOM 586 CA ASN A 42 7.696 1.001 3.394 1.00 0.00 C ATOM 587 C ASN A 42 7.279 -0.211 2.549 1.00 0.00 C ATOM 588 O ASN A 42 7.156 -1.307 3.059 1.00 0.00 O ATOM 589 CB ASN A 42 6.483 1.907 3.617 1.00 0.00 C ATOM 590 CG ASN A 42 6.818 2.937 4.698 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.648 2.693 5.550 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.205 4.088 4.699 1.00 0.00 N ATOM 0 H ASN A 42 8.532 2.754 2.518 1.00 0.00 H new ATOM 0 HA ASN A 42 8.077 0.632 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.214 2.411 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.620 1.313 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.423 4.781 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.507 4.295 3.984 1.00 0.00 H new ATOM 599 N ILE A 43 7.043 -0.044 1.267 1.00 0.00 N ATOM 600 CA ILE A 43 6.622 -1.224 0.451 1.00 0.00 C ATOM 601 C ILE A 43 7.813 -2.176 0.311 1.00 0.00 C ATOM 602 O ILE A 43 7.670 -3.381 0.398 1.00 0.00 O ATOM 603 CB ILE A 43 6.116 -0.777 -0.940 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.244 -1.884 -1.560 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.292 -0.505 -1.884 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.905 -2.018 -0.813 1.00 0.00 C ATOM 0 H ILE A 43 7.122 0.839 0.762 1.00 0.00 H new ATOM 0 HA ILE A 43 5.800 -1.737 0.951 1.00 0.00 H new ATOM 0 HB ILE A 43 5.535 0.136 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.057 -1.659 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.779 -2.833 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.913 -0.192 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.918 0.284 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.883 -1.414 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.310 -2.807 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.094 -2.267 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.362 -1.075 -0.868 1.00 0.00 H new ATOM 618 N ASP A 44 8.989 -1.644 0.118 1.00 0.00 N ATOM 619 CA ASP A 44 10.181 -2.525 0.002 1.00 0.00 C ATOM 620 C ASP A 44 10.304 -3.308 1.302 1.00 0.00 C ATOM 621 O ASP A 44 10.522 -4.504 1.311 1.00 0.00 O ATOM 622 CB ASP A 44 11.432 -1.668 -0.206 1.00 0.00 C ATOM 623 CG ASP A 44 11.392 -1.039 -1.600 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.670 -1.551 -2.439 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.081 -0.053 -1.803 1.00 0.00 O ATOM 0 H ASP A 44 9.174 -0.644 0.036 1.00 0.00 H new ATOM 0 HA ASP A 44 10.078 -3.204 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.483 -0.889 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.327 -2.280 -0.097 1.00 0.00 H new ATOM 630 N PHE A 45 10.126 -2.636 2.406 1.00 0.00 N ATOM 631 CA PHE A 45 10.189 -3.323 3.720 1.00 0.00 C ATOM 632 C PHE A 45 9.035 -4.319 3.796 1.00 0.00 C ATOM 633 O PHE A 45 9.182 -5.424 4.272 1.00 0.00 O ATOM 634 CB PHE A 45 10.062 -2.279 4.836 1.00 0.00 C ATOM 635 CG PHE A 45 10.000 -2.957 6.185 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.180 -3.252 6.877 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.759 -3.285 6.744 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.119 -3.874 8.131 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.698 -3.906 7.999 1.00 0.00 C ATOM 640 CZ PHE A 45 9.879 -4.199 8.692 1.00 0.00 C ATOM 0 H PHE A 45 9.939 -1.634 2.451 1.00 0.00 H new ATOM 0 HA PHE A 45 11.136 -3.851 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.911 -1.597 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.165 -1.679 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.137 -3.000 6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.849 -3.060 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.030 -4.103 8.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.741 -4.158 8.431 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.833 -4.676 9.660 1.00 0.00 H new ATOM 650 N TRP A 46 7.882 -3.932 3.315 1.00 0.00 N ATOM 651 CA TRP A 46 6.714 -4.852 3.347 1.00 0.00 C ATOM 652 C TRP A 46 7.043 -6.116 2.550 1.00 0.00 C ATOM 653 O TRP A 46 6.728 -7.215 2.958 1.00 0.00 O ATOM 654 CB TRP A 46 5.495 -4.160 2.734 1.00 0.00 C ATOM 655 CG TRP A 46 4.307 -5.057 2.854 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.725 -5.419 4.020 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.543 -5.704 1.797 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.655 -6.251 3.746 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.503 -6.457 2.390 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.652 -5.713 0.395 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.601 -7.192 1.620 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.745 -6.452 -0.384 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.722 -7.190 0.228 1.00 0.00 C ATOM 0 H TRP A 46 7.702 -3.017 2.902 1.00 0.00 H new ATOM 0 HA TRP A 46 6.491 -5.120 4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.305 -3.215 3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.684 -3.926 1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.044 -5.109 5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.052 -6.662 4.459 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.437 -5.149 -0.086 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.815 -7.759 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.837 -6.451 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.028 -7.756 -0.376 1.00 0.00 H new ATOM 674 N ILE A 47 7.681 -5.976 1.416 1.00 0.00 N ATOM 675 CA ILE A 47 8.027 -7.181 0.611 1.00 0.00 C ATOM 676 C ILE A 47 8.971 -8.057 1.434 1.00 0.00 C ATOM 677 O ILE A 47 8.804 -9.255 1.528 1.00 0.00 O ATOM 678 CB ILE A 47 8.705 -6.756 -0.696 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.666 -6.084 -1.600 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.280 -7.986 -1.411 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.362 -5.445 -2.803 1.00 0.00 C ATOM 0 H ILE A 47 7.975 -5.085 1.017 1.00 0.00 H new ATOM 0 HA ILE A 47 7.124 -7.740 0.365 1.00 0.00 H new ATOM 0 HB ILE A 47 9.515 -6.061 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.936 -6.819 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.119 -5.326 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.760 -7.676 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.014 -8.471 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.475 -8.686 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.619 -4.969 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.075 -4.697 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.889 -6.213 -3.369 1.00 0.00 H new ATOM 693 N SER A 48 9.953 -7.474 2.054 1.00 0.00 N ATOM 694 CA SER A 48 10.868 -8.290 2.889 1.00 0.00 C ATOM 695 C SER A 48 10.099 -8.747 4.132 1.00 0.00 C ATOM 696 O SER A 48 10.241 -9.862 4.593 1.00 0.00 O ATOM 697 CB SER A 48 12.082 -7.455 3.299 1.00 0.00 C ATOM 698 OG SER A 48 11.648 -6.316 4.031 1.00 0.00 O ATOM 0 H SER A 48 10.161 -6.476 2.019 1.00 0.00 H new ATOM 0 HA SER A 48 11.221 -9.155 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.761 -8.054 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.637 -7.142 2.415 1.00 0.00 H new ATOM 0 HG SER A 48 10.762 -6.041 3.714 1.00 0.00 H new ATOM 704 N CYS A 49 9.286 -7.879 4.680 1.00 0.00 N ATOM 705 CA CYS A 49 8.506 -8.240 5.899 1.00 0.00 C ATOM 706 C CYS A 49 7.399 -9.255 5.574 1.00 0.00 C ATOM 707 O CYS A 49 7.202 -10.209 6.297 1.00 0.01 O ATOM 708 CB CYS A 49 7.888 -6.978 6.509 1.00 0.00 C ATOM 709 SG CYS A 49 7.584 -7.263 8.267 1.00 0.01 S ATOM 0 H CYS A 49 9.130 -6.933 4.333 1.00 0.00 H new ATOM 0 HA CYS A 49 9.188 -8.700 6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.558 -6.128 6.376 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.956 -6.732 6.001 1.00 0.00 H new ATOM 0 HG CYS A 49 7.854 -6.181 8.935 1.00 0.01 H new ATOM 715 N GLU A 50 6.660 -9.061 4.513 1.00 0.00 N ATOM 716 CA GLU A 50 5.568 -10.034 4.206 1.00 0.00 C ATOM 717 C GLU A 50 6.183 -11.422 4.010 1.00 0.01 C ATOM 718 O GLU A 50 5.657 -12.414 4.476 1.00 0.00 O ATOM 719 CB GLU A 50 4.793 -9.589 2.948 1.00 0.01 C ATOM 720 CG GLU A 50 5.554 -9.957 1.667 1.00 0.00 C ATOM 721 CD GLU A 50 4.834 -9.361 0.456 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.710 -8.917 0.618 1.00 0.01 O ATOM 723 OE2 GLU A 50 5.423 -9.356 -0.613 1.00 0.00 O ATOM 0 H GLU A 50 6.761 -8.287 3.857 1.00 0.00 H new ATOM 0 HA GLU A 50 4.860 -10.071 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.810 -10.060 2.938 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.630 -8.512 2.980 1.00 0.01 H new ATOM 0 HG2 GLU A 50 6.576 -9.580 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.618 -11.041 1.568 1.00 0.00 H new ATOM 730 N GLU A 51 7.306 -11.500 3.350 1.00 0.01 N ATOM 731 CA GLU A 51 7.959 -12.822 3.159 1.00 0.00 C ATOM 732 C GLU A 51 8.275 -13.392 4.539 1.00 0.01 C ATOM 733 O GLU A 51 8.109 -14.567 4.800 1.00 0.00 O ATOM 734 CB GLU A 51 9.248 -12.651 2.355 1.00 0.00 C ATOM 735 CG GLU A 51 8.898 -12.286 0.912 1.00 0.00 C ATOM 736 CD GLU A 51 10.175 -11.930 0.149 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.234 -11.980 0.749 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.070 -11.609 -1.024 1.00 0.00 O ATOM 0 H GLU A 51 7.797 -10.707 2.937 1.00 0.01 H new ATOM 0 HA GLU A 51 7.301 -13.498 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.867 -11.872 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.830 -13.572 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.393 -13.122 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.206 -11.444 0.897 1.00 0.00 H new ATOM 745 N TYR A 52 8.715 -12.548 5.430 1.00 0.00 N ATOM 746 CA TYR A 52 9.032 -12.998 6.812 1.00 0.01 C ATOM 747 C TYR A 52 7.754 -13.559 7.449 1.00 0.01 C ATOM 748 O TYR A 52 7.780 -14.542 8.163 1.00 0.01 O ATOM 749 CB TYR A 52 9.526 -11.792 7.619 1.00 0.00 C ATOM 750 CG TYR A 52 10.143 -12.252 8.919 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.323 -12.609 9.994 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.535 -12.316 9.049 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.893 -13.030 11.200 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.106 -12.735 10.256 1.00 0.00 C ATOM 755 CZ TYR A 52 11.285 -13.093 11.332 1.00 0.01 C ATOM 756 OH TYR A 52 11.849 -13.506 12.522 1.00 0.01 O ATOM 0 H TYR A 52 8.870 -11.555 5.257 1.00 0.00 H new ATOM 0 HA TYR A 52 9.803 -13.769 6.799 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.259 -11.232 7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.696 -11.116 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.249 -12.560 9.893 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.168 -12.042 8.218 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.259 -13.306 12.029 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.180 -12.782 10.357 1.00 0.00 H new ATOM 0 HH TYR A 52 11.140 -13.744 13.155 1.00 0.01 H new ATOM 766 N LYS A 53 6.639 -12.923 7.197 1.00 0.01 N ATOM 767 CA LYS A 53 5.345 -13.386 7.784 1.00 0.01 C ATOM 768 C LYS A 53 4.891 -14.719 7.179 1.00 0.01 C ATOM 769 O LYS A 53 4.225 -15.498 7.831 1.00 0.01 O ATOM 770 CB LYS A 53 4.257 -12.343 7.518 1.00 0.01 C ATOM 771 CG LYS A 53 4.495 -11.108 8.383 1.00 0.00 C ATOM 772 CD LYS A 53 3.342 -10.120 8.180 1.00 0.00 C ATOM 773 CE LYS A 53 3.380 -9.057 9.278 1.00 0.01 C ATOM 774 NZ LYS A 53 2.179 -8.183 9.162 1.00 0.00 N ATOM 0 H LYS A 53 6.569 -12.096 6.605 1.00 0.01 H new ATOM 0 HA LYS A 53 5.502 -13.521 8.854 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.258 -12.065 6.464 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.276 -12.765 7.735 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.565 -11.393 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.442 -10.640 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.421 -9.649 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.389 -10.648 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.404 -9.532 10.259 1.00 0.01 H new ATOM 0 HE3 LYS A 53 4.288 -8.460 9.190 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.477 -7.212 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.561 -8.540 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.660 -8.186 10.063 1.00 0.00 H new ATOM 788 N LYS A 54 5.196 -14.987 5.937 1.00 0.00 N ATOM 789 CA LYS A 54 4.714 -16.259 5.328 1.00 0.01 C ATOM 790 C LYS A 54 5.667 -17.409 5.657 1.00 0.01 C ATOM 791 O LYS A 54 5.310 -18.564 5.544 1.00 0.01 O ATOM 792 CB LYS A 54 4.623 -16.069 3.817 1.00 0.01 C ATOM 793 CG LYS A 54 3.507 -15.068 3.525 1.00 0.01 C ATOM 794 CD LYS A 54 3.380 -14.847 2.017 1.00 0.00 C ATOM 795 CE LYS A 54 4.608 -14.102 1.468 1.00 0.01 C ATOM 796 NZ LYS A 54 5.649 -15.092 1.072 1.00 0.01 N ATOM 0 H LYS A 54 5.751 -14.388 5.325 1.00 0.00 H new ATOM 0 HA LYS A 54 3.734 -16.509 5.733 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.572 -15.705 3.422 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.417 -17.020 3.327 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.563 -15.436 3.927 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.718 -14.121 4.023 1.00 0.01 H new ATOM 0 HD2 LYS A 54 3.276 -15.807 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.477 -14.275 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.324 -13.493 0.610 1.00 0.01 H new ATOM 0 HE3 LYS A 54 5.004 -13.424 2.224 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 6.427 -15.072 1.761 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 5.232 -16.044 1.049 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 6.016 -14.852 0.129 1.00 0.01 H new ATOM 810 N ILE A 55 6.857 -17.118 6.100 1.00 0.01 N ATOM 811 CA ILE A 55 7.783 -18.223 6.471 1.00 0.01 C ATOM 812 C ILE A 55 7.334 -18.803 7.814 1.00 0.00 C ATOM 813 O ILE A 55 7.323 -18.123 8.820 1.00 0.01 O ATOM 814 CB ILE A 55 9.215 -17.693 6.571 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.724 -17.370 5.164 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.121 -18.747 7.216 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.048 -16.613 5.257 1.00 0.01 C ATOM 0 H ILE A 55 7.226 -16.175 6.220 1.00 0.01 H new ATOM 0 HA ILE A 55 7.761 -19.002 5.709 1.00 0.01 H new ATOM 0 HB ILE A 55 9.228 -16.794 7.187 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.859 -18.290 4.596 1.00 0.01 H new ATOM 0 HG13 ILE A 55 8.988 -16.770 4.629 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.138 -18.361 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.754 -18.979 8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.116 -19.652 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.408 -16.385 4.254 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.899 -15.685 5.809 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.784 -17.229 5.775 1.00 0.01 H new ATOM 829 N LYS A 56 6.959 -20.055 7.841 1.00 0.01 N ATOM 830 CA LYS A 56 6.506 -20.676 9.124 1.00 0.01 C ATOM 831 C LYS A 56 7.689 -21.390 9.772 1.00 0.01 C ATOM 832 O LYS A 56 7.571 -21.972 10.832 1.00 0.01 O ATOM 833 CB LYS A 56 5.399 -21.697 8.834 1.00 0.01 C ATOM 834 CG LYS A 56 4.204 -21.012 8.154 1.00 0.01 C ATOM 835 CD LYS A 56 3.370 -20.239 9.186 1.00 0.00 C ATOM 836 CE LYS A 56 2.096 -19.712 8.521 1.00 0.00 C ATOM 837 NZ LYS A 56 2.438 -18.564 7.631 1.00 0.00 N ATOM 0 H LYS A 56 6.946 -20.675 7.031 1.00 0.01 H new ATOM 0 HA LYS A 56 6.123 -19.905 9.792 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.785 -22.489 8.193 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.077 -22.167 9.763 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.559 -20.331 7.381 1.00 0.01 H new ATOM 0 HG3 LYS A 56 3.582 -21.758 7.660 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.114 -20.889 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.951 -19.411 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.620 -20.504 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.380 -19.397 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.563 -18.131 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.979 -17.857 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.010 -18.903 6.831 1.00 0.00 H new ATOM 851 N SER A 57 8.832 -21.345 9.142 1.00 0.00 N ATOM 852 CA SER A 57 10.040 -22.015 9.709 1.00 0.01 C ATOM 853 C SER A 57 10.885 -20.968 10.470 1.00 0.01 C ATOM 854 O SER A 57 11.463 -20.100 9.848 1.00 0.00 O ATOM 855 CB SER A 57 10.873 -22.578 8.558 1.00 0.01 C ATOM 856 OG SER A 57 10.103 -23.540 7.850 1.00 0.01 O ATOM 0 H SER A 57 8.983 -20.870 8.252 1.00 0.00 H new ATOM 0 HA SER A 57 9.741 -22.816 10.386 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.179 -21.775 7.888 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.784 -23.036 8.943 1.00 0.01 H new ATOM 0 HG SER A 57 10.633 -23.903 7.110 1.00 0.01 H new ATOM 862 N PRO A 58 10.973 -21.019 11.790 1.00 0.00 N ATOM 863 CA PRO A 58 11.786 -20.006 12.520 1.00 0.01 C ATOM 864 C PRO A 58 13.285 -20.183 12.254 1.00 0.00 C ATOM 865 O PRO A 58 14.096 -19.364 12.639 1.00 0.00 O ATOM 866 CB PRO A 58 11.430 -20.282 13.993 1.00 0.01 C ATOM 867 CG PRO A 58 10.679 -21.624 14.066 1.00 0.01 C ATOM 868 CD PRO A 58 10.300 -22.051 12.635 1.00 0.01 C ATOM 0 HA PRO A 58 11.575 -18.982 12.212 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.334 -20.319 14.601 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.811 -19.478 14.391 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.305 -22.383 14.534 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.785 -21.525 14.681 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.655 -23.056 12.406 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.220 -22.053 12.487 1.00 0.01 H new ATOM 876 N SER A 59 13.656 -21.248 11.598 1.00 0.01 N ATOM 877 CA SER A 59 15.098 -21.481 11.306 1.00 0.01 C ATOM 878 C SER A 59 15.491 -20.729 10.034 1.00 0.01 C ATOM 879 O SER A 59 16.644 -20.407 9.829 1.00 0.01 O ATOM 880 CB SER A 59 15.339 -22.977 11.111 1.00 0.01 C ATOM 881 OG SER A 59 14.721 -23.398 9.903 1.00 0.01 O ATOM 0 H SER A 59 13.022 -21.968 11.251 1.00 0.01 H new ATOM 0 HA SER A 59 15.701 -21.120 12.139 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.409 -23.183 11.077 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.933 -23.536 11.955 1.00 0.01 H new ATOM 0 HG SER A 59 14.875 -24.357 9.774 1.00 0.01 H new ATOM 887 N LYS A 60 14.546 -20.438 9.173 1.00 0.00 N ATOM 888 CA LYS A 60 14.888 -19.698 7.921 1.00 0.00 C ATOM 889 C LYS A 60 14.770 -18.193 8.168 1.00 0.01 C ATOM 890 O LYS A 60 15.315 -17.391 7.437 1.00 0.01 O ATOM 891 CB LYS A 60 13.926 -20.095 6.799 1.00 0.01 C ATOM 892 CG LYS A 60 14.202 -21.535 6.364 1.00 0.01 C ATOM 893 CD LYS A 60 13.233 -21.918 5.243 1.00 0.01 C ATOM 894 CE LYS A 60 13.504 -23.357 4.803 1.00 0.01 C ATOM 895 NZ LYS A 60 14.744 -23.398 3.979 1.00 0.01 N ATOM 0 H LYS A 60 13.561 -20.679 9.283 1.00 0.00 H new ATOM 0 HA LYS A 60 15.908 -19.948 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.895 -20.000 7.141 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.044 -19.420 5.951 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.232 -21.632 6.020 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.084 -22.212 7.210 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.204 -21.820 5.588 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.352 -21.240 4.398 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.613 -24.001 5.676 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.660 -23.738 4.228 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 14.838 -24.336 3.540 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.691 -22.672 3.236 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 15.569 -23.215 4.585 1.00 0.01 H new ATOM 909 N LEU A 61 14.073 -17.802 9.199 1.00 0.01 N ATOM 910 CA LEU A 61 13.936 -16.347 9.494 1.00 0.01 C ATOM 911 C LEU A 61 15.324 -15.755 9.759 1.00 0.01 C ATOM 912 O LEU A 61 15.631 -14.653 9.351 1.00 0.01 O ATOM 913 CB LEU A 61 13.056 -16.149 10.733 1.00 0.01 C ATOM 914 CG LEU A 61 11.654 -16.732 10.494 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.800 -16.538 11.757 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.980 -16.027 9.300 1.00 0.01 C ATOM 0 H LEU A 61 13.593 -18.425 9.849 1.00 0.01 H new ATOM 0 HA LEU A 61 13.475 -15.847 8.642 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.516 -16.633 11.595 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.980 -15.087 10.967 1.00 0.01 H new ATOM 0 HG LEU A 61 11.743 -17.795 10.270 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.805 -16.951 11.590 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.270 -17.051 12.596 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.719 -15.474 11.981 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.988 -16.449 9.141 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.892 -14.961 9.510 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.584 -16.172 8.404 1.00 0.01 H new ATOM 928 N SER A 62 16.156 -16.481 10.456 1.00 0.00 N ATOM 929 CA SER A 62 17.523 -15.974 10.777 1.00 0.01 C ATOM 930 C SER A 62 18.248 -15.461 9.512 1.00 0.01 C ATOM 931 O SER A 62 18.542 -14.286 9.415 1.00 0.01 O ATOM 932 CB SER A 62 18.328 -17.093 11.458 1.00 0.01 C ATOM 933 OG SER A 62 18.260 -16.916 12.867 1.00 0.01 O ATOM 0 H SER A 62 15.946 -17.411 10.820 1.00 0.00 H new ATOM 0 HA SER A 62 17.434 -15.127 11.457 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.927 -18.068 11.181 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.365 -17.068 11.124 1.00 0.01 H new ATOM 0 HG SER A 62 18.769 -17.626 13.311 1.00 0.01 H new ATOM 939 N PRO A 63 18.554 -16.311 8.553 1.00 0.00 N ATOM 940 CA PRO A 63 19.269 -15.859 7.326 1.00 0.00 C ATOM 941 C PRO A 63 18.779 -14.497 6.806 1.00 0.01 C ATOM 942 O PRO A 63 19.537 -13.552 6.724 1.00 0.00 O ATOM 943 CB PRO A 63 18.968 -16.996 6.332 1.00 0.01 C ATOM 944 CG PRO A 63 18.328 -18.165 7.113 1.00 0.01 C ATOM 945 CD PRO A 63 18.227 -17.762 8.599 1.00 0.01 C ATOM 0 HA PRO A 63 20.332 -15.692 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.294 -16.648 5.549 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.884 -17.324 5.841 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.339 -18.391 6.714 1.00 0.01 H new ATOM 0 HG3 PRO A 63 18.930 -19.067 7.005 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.231 -17.942 9.003 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.929 -18.318 9.221 1.00 0.01 H new ATOM 953 N LYS A 64 17.531 -14.389 6.438 1.00 0.01 N ATOM 954 CA LYS A 64 17.039 -13.086 5.910 1.00 0.01 C ATOM 955 C LYS A 64 16.937 -12.054 7.037 1.00 0.00 C ATOM 956 O LYS A 64 17.041 -10.866 6.802 1.00 0.00 O ATOM 957 CB LYS A 64 15.674 -13.267 5.235 1.00 0.00 C ATOM 958 CG LYS A 64 14.654 -13.868 6.215 1.00 0.01 C ATOM 959 CD LYS A 64 13.230 -13.562 5.728 1.00 0.01 C ATOM 960 CE LYS A 64 13.047 -14.075 4.297 1.00 0.01 C ATOM 961 NZ LYS A 64 11.614 -13.955 3.906 1.00 0.00 N ATOM 0 H LYS A 64 16.839 -15.137 6.479 1.00 0.01 H new ATOM 0 HA LYS A 64 17.752 -12.723 5.170 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.313 -12.305 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.777 -13.917 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.799 -14.946 6.292 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.805 -13.454 7.212 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.502 -14.033 6.388 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.047 -12.488 5.765 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.671 -13.502 3.611 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.368 -15.114 4.228 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.358 -14.743 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.018 -13.984 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.464 -13.054 3.409 1.00 0.00 H new ATOM 975 N ALA A 65 16.742 -12.479 8.256 1.00 0.00 N ATOM 976 CA ALA A 65 16.647 -11.486 9.361 1.00 0.01 C ATOM 977 C ALA A 65 17.944 -10.678 9.408 1.00 0.01 C ATOM 978 O ALA A 65 17.929 -9.466 9.437 1.00 0.01 O ATOM 979 CB ALA A 65 16.444 -12.206 10.695 1.00 0.01 C ATOM 0 H ALA A 65 16.646 -13.456 8.531 1.00 0.00 H new ATOM 0 HA ALA A 65 15.799 -10.823 9.186 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.376 -11.472 11.498 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.524 -12.789 10.657 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.288 -12.871 10.882 1.00 0.01 H new ATOM 985 N LYS A 66 19.070 -11.340 9.413 1.00 0.01 N ATOM 986 CA LYS A 66 20.365 -10.601 9.451 1.00 0.00 C ATOM 987 C LYS A 66 20.488 -9.730 8.200 1.00 0.01 C ATOM 988 O LYS A 66 20.862 -8.577 8.270 1.00 0.01 O ATOM 989 CB LYS A 66 21.518 -11.601 9.492 1.00 0.01 C ATOM 990 CG LYS A 66 21.517 -12.331 10.835 1.00 0.01 C ATOM 991 CD LYS A 66 22.674 -13.331 10.870 1.00 0.01 C ATOM 992 CE LYS A 66 22.674 -14.063 12.213 1.00 0.00 C ATOM 993 NZ LYS A 66 21.364 -14.746 12.405 1.00 0.00 N ATOM 0 H LYS A 66 19.149 -12.357 9.392 1.00 0.01 H new ATOM 0 HA LYS A 66 20.400 -9.970 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.420 -12.318 8.677 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.467 -11.084 9.349 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.616 -11.615 11.651 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.569 -12.849 10.979 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.575 -14.046 10.054 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.622 -12.812 10.726 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.484 -14.792 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.851 -13.357 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.466 -15.498 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.657 -14.056 12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.054 -15.161 11.503 1.00 0.00 H new ATOM 1007 N LYS A 67 20.172 -10.272 7.055 1.00 0.00 N ATOM 1008 CA LYS A 67 20.267 -9.470 5.805 1.00 0.00 C ATOM 1009 C LYS A 67 19.262 -8.322 5.875 1.00 0.01 C ATOM 1010 O LYS A 67 19.582 -7.182 5.603 1.00 0.01 O ATOM 1011 CB LYS A 67 19.941 -10.359 4.604 1.00 0.00 C ATOM 1012 CG LYS A 67 20.940 -11.515 4.538 1.00 0.01 C ATOM 1013 CD LYS A 67 20.611 -12.403 3.336 1.00 0.00 C ATOM 1014 CE LYS A 67 21.607 -13.561 3.265 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.240 -14.460 2.135 1.00 0.01 N ATOM 0 H LYS A 67 19.853 -11.233 6.933 1.00 0.00 H new ATOM 0 HA LYS A 67 21.276 -9.072 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.926 -10.746 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.983 -9.775 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.955 -11.128 4.451 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.899 -12.099 5.458 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.595 -12.789 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.652 -11.818 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.618 -13.178 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.603 -14.117 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.916 -15.248 2.085 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.282 -14.835 2.287 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.265 -13.925 1.243 1.00 0.01 H new ATOM 1029 N ILE A 68 18.048 -8.617 6.251 1.00 0.01 N ATOM 1030 CA ILE A 68 17.018 -7.548 6.352 1.00 0.00 C ATOM 1031 C ILE A 68 17.358 -6.636 7.527 1.00 0.01 C ATOM 1032 O ILE A 68 17.312 -5.426 7.424 1.00 0.00 O ATOM 1033 CB ILE A 68 15.648 -8.189 6.598 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.230 -8.986 5.360 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.611 -7.096 6.878 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.998 -9.830 5.689 1.00 0.00 C ATOM 0 H ILE A 68 17.726 -9.554 6.493 1.00 0.01 H new ATOM 0 HA ILE A 68 16.995 -6.971 5.428 1.00 0.00 H new ATOM 0 HB ILE A 68 15.709 -8.856 7.458 1.00 0.01 H new ATOM 0 HG12 ILE A 68 15.010 -8.308 4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.048 -9.629 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.638 -7.554 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.909 -6.529 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.548 -6.426 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.700 -10.398 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.234 -10.518 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.180 -9.177 5.993 1.00 0.00 H new ATOM 1048 N TYR A 69 17.690 -7.211 8.647 1.00 0.00 N ATOM 1049 CA TYR A 69 18.021 -6.390 9.838 1.00 0.01 C ATOM 1050 C TYR A 69 19.217 -5.492 9.520 1.00 0.00 C ATOM 1051 O TYR A 69 19.197 -4.298 9.746 1.00 0.01 O ATOM 1052 CB TYR A 69 18.368 -7.315 11.006 1.00 0.01 C ATOM 1053 CG TYR A 69 18.673 -6.494 12.234 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.983 -6.072 12.491 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.644 -6.164 13.125 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.262 -5.318 13.638 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.923 -5.410 14.270 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.233 -4.988 14.528 1.00 0.01 C ATOM 1059 OH TYR A 69 19.507 -4.246 15.657 1.00 0.01 O ATOM 0 H TYR A 69 17.746 -8.220 8.788 1.00 0.00 H new ATOM 0 HA TYR A 69 17.166 -5.769 10.107 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.537 -7.991 11.206 1.00 0.01 H new ATOM 0 HB3 TYR A 69 19.227 -7.934 10.749 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.778 -6.328 11.806 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.634 -6.492 12.928 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.272 -4.991 13.836 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.128 -5.153 14.955 1.00 0.01 H new ATOM 0 HH TYR A 69 18.878 -3.497 15.717 1.00 0.01 H new ATOM 1069 N ASN A 70 20.260 -6.057 8.992 1.00 0.01 N ATOM 1070 CA ASN A 70 21.459 -5.246 8.656 1.00 0.00 C ATOM 1071 C ASN A 70 21.086 -4.191 7.614 1.00 0.00 C ATOM 1072 O ASN A 70 21.556 -3.074 7.645 1.00 0.01 O ATOM 1073 CB ASN A 70 22.544 -6.162 8.089 1.00 0.00 C ATOM 1074 CG ASN A 70 23.077 -7.070 9.199 1.00 0.01 C ATOM 1075 OD1 ASN A 70 23.352 -8.230 8.970 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.232 -6.588 10.401 1.00 0.01 N ATOM 0 H ASN A 70 20.336 -7.051 8.777 1.00 0.01 H new ATOM 0 HA ASN A 70 21.830 -4.752 9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.138 -6.764 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.355 -5.567 7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.584 -7.186 11.149 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.001 -5.613 10.593 1.00 0.01 H new ATOM 1083 N GLU A 71 20.271 -4.553 6.667 1.00 0.00 N ATOM 1084 CA GLU A 71 19.892 -3.590 5.596 1.00 0.00 C ATOM 1085 C GLU A 71 18.808 -2.601 6.062 1.00 0.00 C ATOM 1086 O GLU A 71 19.005 -1.403 6.038 1.00 0.00 O ATOM 1087 CB GLU A 71 19.372 -4.379 4.391 1.00 0.00 C ATOM 1088 CG GLU A 71 19.037 -3.419 3.247 1.00 0.00 C ATOM 1089 CD GLU A 71 18.655 -4.223 2.004 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.754 -5.439 2.055 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.271 -3.611 1.021 1.00 0.00 O ATOM 0 H GLU A 71 19.848 -5.478 6.587 1.00 0.00 H new ATOM 0 HA GLU A 71 20.776 -3.008 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.122 -5.099 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.485 -4.947 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.215 -2.764 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.893 -2.780 3.031 1.00 0.00 H new ATOM 1098 N PHE A 72 17.645 -3.085 6.414 1.00 0.00 N ATOM 1099 CA PHE A 72 16.526 -2.161 6.799 1.00 0.00 C ATOM 1100 C PHE A 72 16.563 -1.705 8.273 1.00 0.00 C ATOM 1101 O PHE A 72 16.037 -0.655 8.591 1.00 0.00 O ATOM 1102 CB PHE A 72 15.201 -2.883 6.542 1.00 0.00 C ATOM 1103 CG PHE A 72 14.993 -3.044 5.053 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.544 -4.143 4.386 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.255 -2.092 4.339 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.359 -4.293 3.007 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.068 -2.242 2.958 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.621 -3.342 2.294 1.00 0.00 C ATOM 0 H PHE A 72 17.418 -4.079 6.453 1.00 0.00 H new ATOM 0 HA PHE A 72 16.636 -1.260 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.207 -3.859 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.377 -2.317 6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.113 -4.877 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.830 -1.242 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.786 -5.142 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.497 -1.509 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.478 -3.457 1.230 1.00 0.00 H new ATOM 1118 N ILE A 73 17.120 -2.468 9.186 1.00 0.00 N ATOM 1119 CA ILE A 73 17.100 -2.036 10.634 1.00 0.00 C ATOM 1120 C ILE A 73 18.430 -1.419 11.076 1.00 0.00 C ATOM 1121 O ILE A 73 18.490 -0.751 12.089 1.00 0.01 O ATOM 1122 CB ILE A 73 16.819 -3.254 11.516 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.481 -3.896 11.095 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.773 -2.834 12.997 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.313 -2.920 11.270 1.00 0.00 C ATOM 0 H ILE A 73 17.582 -3.358 9.002 1.00 0.00 H new ATOM 0 HA ILE A 73 16.322 -1.279 10.738 1.00 0.00 H new ATOM 0 HB ILE A 73 17.618 -3.985 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.539 -4.213 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.302 -4.791 11.691 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.572 -3.708 13.617 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.731 -2.399 13.282 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.983 -2.097 13.142 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.385 -3.404 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.240 -2.624 12.316 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.481 -2.037 10.654 1.00 0.00 H new ATOM 1137 N SER A 74 19.498 -1.628 10.361 1.00 0.01 N ATOM 1138 CA SER A 74 20.786 -1.031 10.814 1.00 0.00 C ATOM 1139 C SER A 74 20.650 0.488 10.890 1.00 0.00 C ATOM 1140 O SER A 74 20.275 1.137 9.935 1.00 0.01 O ATOM 1141 CB SER A 74 21.904 -1.391 9.838 1.00 0.00 C ATOM 1142 OG SER A 74 23.110 -0.767 10.254 1.00 0.01 O ATOM 0 H SER A 74 19.538 -2.174 9.500 1.00 0.01 H new ATOM 0 HA SER A 74 21.030 -1.427 11.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.035 -2.472 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.642 -1.066 8.831 1.00 0.00 H new ATOM 0 HG SER A 74 23.830 -0.998 9.630 1.00 0.01 H new ATOM 1148 N VAL A 75 20.964 1.063 12.021 1.00 0.01 N ATOM 1149 CA VAL A 75 20.865 2.543 12.151 1.00 0.01 C ATOM 1150 C VAL A 75 21.806 3.189 11.134 1.00 0.00 C ATOM 1151 O VAL A 75 21.714 4.365 10.846 1.00 0.00 O ATOM 1152 CB VAL A 75 21.238 2.973 13.574 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.078 2.659 14.523 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.483 2.213 14.036 1.00 0.00 C ATOM 0 H VAL A 75 21.283 0.572 12.856 1.00 0.01 H new ATOM 0 HA VAL A 75 19.842 2.865 11.957 1.00 0.01 H new ATOM 0 HB VAL A 75 21.442 4.044 13.581 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.343 2.965 15.535 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.188 3.200 14.202 1.00 0.01 H new ATOM 0 HG13 VAL A 75 19.876 1.588 14.509 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.744 2.523 15.048 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.280 1.142 14.025 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.313 2.432 13.364 1.00 0.00 H new ATOM 1164 N GLN A 76 22.703 2.420 10.571 1.00 0.01 N ATOM 1165 CA GLN A 76 23.644 2.972 9.549 1.00 0.01 C ATOM 1166 C GLN A 76 23.098 2.650 8.160 1.00 0.01 C ATOM 1167 O GLN A 76 23.680 2.998 7.153 1.00 0.01 O ATOM 1168 CB GLN A 76 25.022 2.321 9.706 1.00 0.00 C ATOM 1169 CG GLN A 76 25.687 2.810 10.994 1.00 0.01 C ATOM 1170 CD GLN A 76 26.963 2.004 11.244 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.023 0.829 10.937 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.994 2.587 11.790 1.00 0.01 N ATOM 0 H GLN A 76 22.825 1.428 10.776 1.00 0.01 H new ATOM 0 HA GLN A 76 23.738 4.050 9.682 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.920 1.236 9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.649 2.565 8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.924 3.871 10.914 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.002 2.698 11.835 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.945 3.573 12.048 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.849 2.057 11.959 1.00 0.01 H new ATOM 1181 N ALA A 77 21.975 1.987 8.101 1.00 0.01 N ATOM 1182 CA ALA A 77 21.377 1.637 6.784 1.00 0.00 C ATOM 1183 C ALA A 77 21.270 2.893 5.919 1.00 0.01 C ATOM 1184 O ALA A 77 20.907 3.953 6.388 1.00 0.00 O ATOM 1185 CB ALA A 77 19.983 1.049 7.002 1.00 0.00 C ATOM 0 H ALA A 77 21.445 1.672 8.913 1.00 0.01 H new ATOM 0 HA ALA A 77 22.009 0.905 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.542 0.792 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.058 0.153 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.353 1.783 7.505 1.00 0.00 H new ATOM 1191 N THR A 78 21.581 2.781 4.657 1.00 0.01 N ATOM 1192 CA THR A 78 21.496 3.967 3.758 1.00 0.01 C ATOM 1193 C THR A 78 20.025 4.333 3.540 1.00 0.01 C ATOM 1194 O THR A 78 19.704 5.440 3.155 1.00 0.00 O ATOM 1195 CB THR A 78 22.148 3.633 2.414 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.458 2.546 1.813 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.611 3.250 2.641 1.00 0.01 C ATOM 0 H THR A 78 21.891 1.919 4.209 1.00 0.01 H new ATOM 0 HA THR A 78 22.016 4.810 4.212 1.00 0.01 H new ATOM 0 HB THR A 78 22.099 4.501 1.757 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.873 2.332 0.951 1.00 0.01 H new ATOM 0 HG21 THR A 78 24.077 3.012 1.685 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.138 4.084 3.104 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.662 2.380 3.296 1.00 0.01 H new ATOM 1205 N LYS A 79 19.133 3.405 3.786 1.00 0.00 N ATOM 1206 CA LYS A 79 17.670 3.674 3.602 1.00 0.00 C ATOM 1207 C LYS A 79 16.914 3.247 4.866 1.00 0.00 C ATOM 1208 O LYS A 79 16.168 2.290 4.870 1.00 0.00 O ATOM 1209 CB LYS A 79 17.156 2.889 2.389 1.00 0.00 C ATOM 1210 CG LYS A 79 17.658 1.443 2.449 1.00 0.00 C ATOM 1211 CD LYS A 79 17.137 0.672 1.232 1.00 0.01 C ATOM 1212 CE LYS A 79 17.312 -0.831 1.465 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.579 -1.228 2.700 1.00 0.00 N ATOM 0 H LYS A 79 19.357 2.464 4.109 1.00 0.00 H new ATOM 0 HA LYS A 79 17.508 4.738 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.066 2.904 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.496 3.363 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.748 1.425 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.318 0.966 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.085 0.905 1.064 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.678 0.977 0.336 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.934 -1.390 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.370 -1.075 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.449 -2.260 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.126 -0.940 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.650 -0.762 2.717 1.00 0.00 H new ATOM 1227 N GLU A 80 17.106 3.961 5.942 1.00 0.00 N ATOM 1228 CA GLU A 80 16.409 3.606 7.212 1.00 0.00 C ATOM 1229 C GLU A 80 14.897 3.664 7.006 1.00 0.00 C ATOM 1230 O GLU A 80 14.386 4.523 6.316 1.00 0.00 O ATOM 1231 CB GLU A 80 16.801 4.605 8.302 1.00 0.00 C ATOM 1232 CG GLU A 80 18.262 4.391 8.700 1.00 0.00 C ATOM 1233 CD GLU A 80 18.650 5.422 9.761 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.762 6.094 10.258 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.827 5.519 10.062 1.00 0.00 O ATOM 0 H GLU A 80 17.716 4.776 5.997 1.00 0.00 H new ATOM 0 HA GLU A 80 16.698 2.598 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.658 5.624 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.156 4.480 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.402 3.382 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.907 4.489 7.827 1.00 0.00 H new ATOM 1242 N VAL A 81 14.174 2.757 7.607 1.00 0.00 N ATOM 1243 CA VAL A 81 12.690 2.756 7.452 1.00 0.00 C ATOM 1244 C VAL A 81 12.073 3.688 8.497 1.00 0.00 C ATOM 1245 O VAL A 81 12.533 3.771 9.619 1.00 0.00 O ATOM 1246 CB VAL A 81 12.162 1.331 7.642 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.423 0.519 6.371 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.885 0.671 8.820 1.00 0.00 C ATOM 0 H VAL A 81 14.548 2.016 8.200 1.00 0.00 H new ATOM 0 HA VAL A 81 12.420 3.107 6.456 1.00 0.00 H new ATOM 0 HB VAL A 81 11.091 1.365 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.048 -0.496 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.913 0.987 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.494 0.487 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.509 -0.343 8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.955 0.637 8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.705 1.248 9.727 1.00 0.00 H new ATOM 1258 N ASN A 82 11.044 4.403 8.130 1.00 0.00 N ATOM 1259 CA ASN A 82 10.403 5.346 9.091 1.00 0.00 C ATOM 1260 C ASN A 82 9.582 4.568 10.122 1.00 0.00 C ATOM 1261 O ASN A 82 8.470 4.156 9.865 1.00 0.00 O ATOM 1262 CB ASN A 82 9.487 6.298 8.322 1.00 0.00 C ATOM 1263 CG ASN A 82 8.590 5.491 7.380 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.503 4.284 7.492 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.924 6.109 6.445 1.00 0.00 N ATOM 0 H ASN A 82 10.619 4.375 7.203 1.00 0.00 H new ATOM 0 HA ASN A 82 11.176 5.913 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.877 6.874 9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.082 7.012 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.330 5.579 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.997 7.122 6.351 1.00 0.00 H new ATOM 1272 N LEU A 83 10.132 4.380 11.295 1.00 0.00 N ATOM 1273 CA LEU A 83 9.413 3.635 12.373 1.00 0.00 C ATOM 1274 C LEU A 83 9.780 4.251 13.728 1.00 0.00 C ATOM 1275 O LEU A 83 10.633 5.111 13.818 1.00 0.00 O ATOM 1276 CB LEU A 83 9.844 2.160 12.353 1.00 0.01 C ATOM 1277 CG LEU A 83 9.122 1.394 11.231 1.00 0.00 C ATOM 1278 CD1 LEU A 83 9.861 0.084 10.948 1.00 0.00 C ATOM 1279 CD2 LEU A 83 7.687 1.055 11.653 1.00 0.00 C ATOM 0 H LEU A 83 11.060 4.715 11.555 1.00 0.00 H new ATOM 0 HA LEU A 83 8.337 3.699 12.212 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.922 2.094 12.209 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.622 1.699 13.315 1.00 0.01 H new ATOM 0 HG LEU A 83 9.104 2.023 10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.349 -0.458 10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.883 0.302 10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.878 -0.526 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.190 0.513 10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.708 0.435 12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.142 1.976 11.862 1.00 0.00 H new ATOM 1291 N ASP A 84 9.145 3.815 14.783 1.00 0.01 N ATOM 1292 CA ASP A 84 9.462 4.379 16.126 1.00 0.00 C ATOM 1293 C ASP A 84 10.844 3.896 16.566 1.00 0.00 C ATOM 1294 O ASP A 84 11.339 2.894 16.097 1.00 0.00 O ATOM 1295 CB ASP A 84 8.410 3.910 17.135 1.00 0.00 C ATOM 1296 CG ASP A 84 7.076 4.596 16.834 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.090 5.590 16.126 1.00 0.01 O ATOM 1298 OD2 ASP A 84 6.064 4.119 17.320 1.00 0.00 O ATOM 0 H ASP A 84 8.423 3.095 14.773 1.00 0.01 H new ATOM 0 HA ASP A 84 9.457 5.468 16.076 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.295 2.827 17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.732 4.146 18.149 1.00 0.00 H new ATOM 1303 N SER A 85 11.475 4.606 17.461 1.00 0.00 N ATOM 1304 CA SER A 85 12.833 4.194 17.924 1.00 0.01 C ATOM 1305 C SER A 85 12.733 2.923 18.770 1.00 0.01 C ATOM 1306 O SER A 85 13.701 2.212 18.950 1.00 0.00 O ATOM 1307 CB SER A 85 13.443 5.314 18.766 1.00 0.01 C ATOM 1308 OG SER A 85 12.738 5.414 19.997 1.00 0.00 O ATOM 0 H SER A 85 11.109 5.455 17.893 1.00 0.00 H new ATOM 0 HA SER A 85 13.463 3.999 17.056 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.497 5.111 18.953 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.391 6.260 18.226 1.00 0.01 H new ATOM 0 HG SER A 85 13.128 6.130 20.540 1.00 0.00 H new ATOM 1314 N CYS A 86 11.574 2.630 19.295 1.00 0.01 N ATOM 1315 CA CYS A 86 11.426 1.406 20.135 1.00 0.01 C ATOM 1316 C CYS A 86 11.177 0.190 19.240 1.00 0.00 C ATOM 1317 O CYS A 86 11.585 -0.910 19.551 1.00 0.01 O ATOM 1318 CB CYS A 86 10.245 1.585 21.092 1.00 0.01 C ATOM 1319 SG CYS A 86 9.897 0.015 21.923 1.00 0.01 S ATOM 0 H CYS A 86 10.725 3.183 19.179 1.00 0.01 H new ATOM 0 HA CYS A 86 12.340 1.250 20.707 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.474 2.355 21.828 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.366 1.920 20.542 1.00 0.01 H new ATOM 0 HG CYS A 86 8.952 -0.612 21.287 1.00 0.01 H new ATOM 1325 N THR A 87 10.517 0.373 18.132 1.00 0.00 N ATOM 1326 CA THR A 87 10.248 -0.784 17.231 1.00 0.00 C ATOM 1327 C THR A 87 11.581 -1.389 16.781 1.00 0.00 C ATOM 1328 O THR A 87 11.745 -2.591 16.738 1.00 0.01 O ATOM 1329 CB THR A 87 9.464 -0.300 16.005 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.237 0.273 16.433 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.166 -1.477 15.071 1.00 0.00 C ATOM 0 H THR A 87 10.153 1.270 17.811 1.00 0.00 H new ATOM 0 HA THR A 87 9.664 -1.537 17.760 1.00 0.00 H new ATOM 0 HB THR A 87 10.059 0.440 15.471 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.999 1.017 15.841 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.609 -1.122 14.204 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.103 -1.926 14.741 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.574 -2.222 15.602 1.00 0.00 H new ATOM 1339 N ARG A 88 12.537 -0.565 16.455 1.00 0.01 N ATOM 1340 CA ARG A 88 13.858 -1.100 16.021 1.00 0.00 C ATOM 1341 C ARG A 88 14.500 -1.844 17.191 1.00 0.00 C ATOM 1342 O ARG A 88 15.011 -2.935 17.037 1.00 0.01 O ATOM 1343 CB ARG A 88 14.758 0.058 15.569 1.00 0.00 C ATOM 1344 CG ARG A 88 14.401 0.460 14.128 1.00 0.00 C ATOM 1345 CD ARG A 88 12.935 0.911 14.043 1.00 0.00 C ATOM 1346 NE ARG A 88 12.071 -0.276 13.719 1.00 0.01 N ATOM 1347 CZ ARG A 88 12.224 -0.942 12.608 1.00 0.00 C ATOM 1348 NH1 ARG A 88 13.009 -0.478 11.675 1.00 0.00 N ATOM 1349 NH2 ARG A 88 11.561 -2.050 12.409 1.00 0.01 N ATOM 0 H ARG A 88 12.462 0.452 16.470 1.00 0.01 H new ATOM 0 HA ARG A 88 13.727 -1.787 15.185 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.633 0.911 16.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.805 -0.239 15.625 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.055 1.266 13.796 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.568 -0.383 13.457 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.623 1.356 14.988 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.822 1.678 13.277 1.00 0.00 H new ATOM 0 HE ARG A 88 11.351 -0.566 14.381 1.00 0.01 H new ATOM 0 HH11 ARG A 88 13.502 0.404 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.130 -0.997 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.921 -2.397 13.124 1.00 0.01 H new ATOM 0 HH22 ARG A 88 11.683 -2.568 11.539 1.00 0.01 H new ATOM 1363 N GLU A 89 14.465 -1.272 18.364 1.00 0.01 N ATOM 1364 CA GLU A 89 15.060 -1.969 19.535 1.00 0.01 C ATOM 1365 C GLU A 89 14.331 -3.297 19.717 1.00 0.01 C ATOM 1366 O GLU A 89 14.923 -4.316 20.007 1.00 0.00 O ATOM 1367 CB GLU A 89 14.888 -1.111 20.791 1.00 0.01 C ATOM 1368 CG GLU A 89 15.792 0.120 20.697 1.00 0.01 C ATOM 1369 CD GLU A 89 15.624 0.979 21.952 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.751 0.669 22.746 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.374 1.930 22.100 1.00 0.01 O ATOM 0 H GLU A 89 14.053 -0.360 18.559 1.00 0.01 H new ATOM 0 HA GLU A 89 16.124 -2.140 19.371 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.847 -0.804 20.895 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.139 -1.692 21.678 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.832 -0.188 20.592 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.540 0.701 19.810 1.00 0.01 H new ATOM 1378 N GLU A 90 13.041 -3.289 19.535 1.00 0.00 N ATOM 1379 CA GLU A 90 12.257 -4.544 19.678 1.00 0.01 C ATOM 1380 C GLU A 90 12.754 -5.583 18.671 1.00 0.01 C ATOM 1381 O GLU A 90 12.852 -6.753 18.982 1.00 0.01 O ATOM 1382 CB GLU A 90 10.778 -4.248 19.430 1.00 0.01 C ATOM 1383 CG GLU A 90 10.201 -3.495 20.631 1.00 0.00 C ATOM 1384 CD GLU A 90 8.802 -2.982 20.290 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.377 -3.193 19.167 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.187 -2.379 21.152 1.00 0.01 O ATOM 0 H GLU A 90 12.494 -2.463 19.292 1.00 0.00 H new ATOM 0 HA GLU A 90 12.384 -4.938 20.686 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.662 -3.653 18.524 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.231 -5.178 19.273 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.157 -4.153 21.499 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.851 -2.661 20.897 1.00 0.00 H new ATOM 1393 N THR A 91 13.066 -5.181 17.465 1.00 0.01 N ATOM 1394 CA THR A 91 13.545 -6.181 16.474 1.00 0.01 C ATOM 1395 C THR A 91 14.847 -6.801 16.981 1.00 0.01 C ATOM 1396 O THR A 91 15.001 -8.002 16.996 1.00 0.01 O ATOM 1397 CB THR A 91 13.783 -5.509 15.107 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.851 -4.451 14.933 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.596 -6.535 13.982 1.00 0.01 C ATOM 0 H THR A 91 13.010 -4.219 17.131 1.00 0.01 H new ATOM 0 HA THR A 91 12.790 -6.957 16.351 1.00 0.01 H new ATOM 0 HB THR A 91 14.799 -5.117 15.073 1.00 0.01 H new ATOM 0 HG1 THR A 91 13.002 -4.021 14.065 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.766 -6.054 13.019 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.308 -7.350 14.111 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.581 -6.931 14.016 1.00 0.01 H new ATOM 1407 N SER A 92 15.782 -5.986 17.403 1.00 0.01 N ATOM 1408 CA SER A 92 17.080 -6.531 17.897 1.00 0.01 C ATOM 1409 C SER A 92 16.817 -7.582 18.969 1.00 0.01 C ATOM 1410 O SER A 92 17.466 -8.608 19.012 1.00 0.00 O ATOM 1411 CB SER A 92 17.923 -5.399 18.486 1.00 0.01 C ATOM 1412 OG SER A 92 17.174 -4.725 19.486 1.00 0.01 O ATOM 0 H SER A 92 15.701 -4.969 17.426 1.00 0.01 H new ATOM 0 HA SER A 92 17.619 -6.987 17.066 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.843 -5.800 18.913 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.214 -4.701 17.701 1.00 0.01 H new ATOM 0 HG SER A 92 16.224 -4.735 19.246 1.00 0.01 H new ATOM 1418 N ARG A 93 15.862 -7.358 19.824 1.00 0.01 N ATOM 1419 CA ARG A 93 15.566 -8.374 20.864 1.00 0.01 C ATOM 1420 C ARG A 93 15.138 -9.657 20.151 1.00 0.01 C ATOM 1421 O ARG A 93 15.526 -10.750 20.512 1.00 0.01 O ATOM 1422 CB ARG A 93 14.425 -7.868 21.747 1.00 0.00 C ATOM 1423 CG ARG A 93 14.927 -6.702 22.598 1.00 0.01 C ATOM 1424 CD ARG A 93 13.794 -6.183 23.484 1.00 0.01 C ATOM 1425 NE ARG A 93 14.223 -4.916 24.136 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.335 -4.126 24.676 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.071 -4.449 24.654 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.714 -3.010 25.235 1.00 0.01 N ATOM 0 H ARG A 93 15.278 -6.522 19.847 1.00 0.01 H new ATOM 0 HA ARG A 93 16.440 -8.561 21.488 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.586 -7.548 21.129 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.061 -8.671 22.388 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.765 -7.025 23.215 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.294 -5.902 21.955 1.00 0.01 H new ATOM 0 HD2 ARG A 93 12.898 -6.013 22.887 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.538 -6.926 24.239 1.00 0.01 H new ATOM 0 HE ARG A 93 15.211 -4.665 24.161 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.775 -5.320 24.214 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.379 -3.830 25.077 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.702 -2.757 25.249 1.00 0.01 H new ATOM 0 HH22 ARG A 93 13.022 -2.391 25.658 1.00 0.01 H new ATOM 1442 N ASN A 94 14.346 -9.512 19.125 1.00 0.01 N ATOM 1443 CA ASN A 94 13.882 -10.692 18.347 1.00 0.01 C ATOM 1444 C ASN A 94 15.046 -11.290 17.547 1.00 0.01 C ATOM 1445 O ASN A 94 15.063 -12.468 17.254 1.00 0.01 O ATOM 1446 CB ASN A 94 12.765 -10.261 17.396 1.00 0.01 C ATOM 1447 CG ASN A 94 11.602 -9.693 18.211 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.149 -10.309 19.155 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.093 -8.537 17.884 1.00 0.01 N ATOM 0 H ASN A 94 13.997 -8.614 18.789 1.00 0.01 H new ATOM 0 HA ASN A 94 13.505 -11.450 19.034 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.135 -9.511 16.697 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.428 -11.111 16.803 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.316 -8.152 18.421 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.472 -8.019 17.092 1.00 0.01 H new ATOM 1456 N MET A 95 16.015 -10.494 17.178 1.00 0.01 N ATOM 1457 CA MET A 95 17.159 -11.040 16.385 1.00 0.01 C ATOM 1458 C MET A 95 17.848 -12.132 17.201 1.00 0.01 C ATOM 1459 O MET A 95 18.236 -13.159 16.679 1.00 0.01 O ATOM 1460 CB MET A 95 18.166 -9.925 16.073 1.00 0.01 C ATOM 1461 CG MET A 95 17.539 -8.889 15.129 1.00 0.01 C ATOM 1462 SD MET A 95 17.074 -9.658 13.557 1.00 0.01 S ATOM 1463 CE MET A 95 18.730 -9.791 12.853 1.00 0.01 C ATOM 0 H MET A 95 16.065 -9.497 17.389 1.00 0.01 H new ATOM 0 HA MET A 95 16.786 -11.451 15.447 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.481 -9.441 16.997 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.059 -10.350 15.616 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.660 -8.447 15.598 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.245 -8.079 14.949 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.668 -9.743 11.766 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.347 -8.970 13.218 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.176 -10.740 13.149 1.00 0.01 H new ATOM 1473 N LEU A 96 17.991 -11.927 18.478 1.00 0.01 N ATOM 1474 CA LEU A 96 18.640 -12.962 19.325 1.00 0.01 C ATOM 1475 C LEU A 96 17.724 -14.187 19.365 1.00 0.01 C ATOM 1476 O LEU A 96 18.138 -15.280 19.697 1.00 0.01 O ATOM 1477 CB LEU A 96 18.830 -12.414 20.744 1.00 0.01 C ATOM 1478 CG LEU A 96 19.714 -11.157 20.705 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.851 -10.590 22.123 1.00 0.01 C ATOM 1480 CD2 LEU A 96 21.107 -11.505 20.147 1.00 0.01 C ATOM 0 H LEU A 96 17.687 -11.088 18.972 1.00 0.01 H new ATOM 0 HA LEU A 96 19.614 -13.232 18.917 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.862 -12.175 21.184 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.289 -13.173 21.378 1.00 0.01 H new ATOM 0 HG LEU A 96 19.252 -10.413 20.056 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.477 -9.698 22.099 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.865 -10.331 22.508 1.00 0.01 H new ATOM 0 HD13 LEU A 96 20.308 -11.338 22.771 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.724 -10.607 20.124 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.578 -12.253 20.785 1.00 0.01 H new ATOM 0 HD23 LEU A 96 21.006 -11.902 19.137 1.00 0.01 H new ATOM 1492 N GLU A 97 16.474 -14.000 19.025 1.00 0.01 N ATOM 1493 CA GLU A 97 15.501 -15.133 19.031 1.00 0.01 C ATOM 1494 C GLU A 97 14.521 -14.951 17.860 1.00 0.01 C ATOM 1495 O GLU A 97 13.414 -14.489 18.050 1.00 0.01 O ATOM 1496 CB GLU A 97 14.721 -15.110 20.346 1.00 0.01 C ATOM 1497 CG GLU A 97 15.695 -15.247 21.517 1.00 0.01 C ATOM 1498 CD GLU A 97 14.908 -15.400 22.820 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.160 -16.356 22.928 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.070 -14.557 23.688 1.00 0.01 O ATOM 0 H GLU A 97 16.083 -13.102 18.741 1.00 0.01 H new ATOM 0 HA GLU A 97 16.028 -16.082 18.931 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.160 -14.180 20.432 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.995 -15.923 20.365 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.342 -16.111 21.367 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.341 -14.371 21.571 1.00 0.01 H new ATOM 1507 N PRO A 98 14.921 -15.291 16.651 1.00 0.01 N ATOM 1508 CA PRO A 98 14.025 -15.117 15.472 1.00 0.01 C ATOM 1509 C PRO A 98 12.686 -15.854 15.634 1.00 0.01 C ATOM 1510 O PRO A 98 12.627 -17.067 15.629 1.00 0.01 O ATOM 1511 CB PRO A 98 14.868 -15.693 14.313 1.00 0.00 C ATOM 1512 CG PRO A 98 16.292 -15.964 14.841 1.00 0.01 C ATOM 1513 CD PRO A 98 16.270 -15.864 16.378 1.00 0.01 C ATOM 0 HA PRO A 98 13.730 -14.079 15.316 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.420 -16.613 13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.899 -14.991 13.480 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.629 -16.953 14.530 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.994 -15.242 14.424 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.399 -16.839 16.849 1.00 0.01 H new ATOM 0 HD3 PRO A 98 17.066 -15.221 16.753 1.00 0.01 H new ATOM 1521 N THR A 99 11.614 -15.113 15.777 1.00 0.01 N ATOM 1522 CA THR A 99 10.259 -15.726 15.939 1.00 0.01 C ATOM 1523 C THR A 99 9.329 -15.163 14.863 1.00 0.01 C ATOM 1524 O THR A 99 9.693 -14.269 14.127 1.00 0.01 O ATOM 1525 CB THR A 99 9.701 -15.380 17.325 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.754 -13.973 17.517 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.526 -16.080 18.408 1.00 0.00 C ATOM 0 H THR A 99 11.622 -14.093 15.788 1.00 0.01 H new ATOM 0 HA THR A 99 10.330 -16.809 15.840 1.00 0.01 H new ATOM 0 HB THR A 99 8.667 -15.718 17.392 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.396 -13.750 18.402 1.00 0.01 H new ATOM 0 HG21 THR A 99 10.124 -15.830 19.390 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.479 -17.159 18.261 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.563 -15.750 18.346 1.00 0.00 H new ATOM 1535 N ILE A 100 8.138 -15.683 14.757 1.00 0.00 N ATOM 1536 CA ILE A 100 7.195 -15.176 13.719 1.00 0.01 C ATOM 1537 C ILE A 100 6.713 -13.773 14.093 1.00 0.01 C ATOM 1538 O ILE A 100 6.268 -13.018 13.253 1.00 0.01 O ATOM 1539 CB ILE A 100 5.997 -16.130 13.613 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.143 -15.764 12.384 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.136 -16.025 14.880 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.906 -16.057 11.083 1.00 0.01 C ATOM 0 H ILE A 100 7.776 -16.436 15.343 1.00 0.00 H new ATOM 0 HA ILE A 100 7.706 -15.127 12.757 1.00 0.01 H new ATOM 0 HB ILE A 100 6.365 -17.150 13.507 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.212 -16.331 12.401 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.874 -14.708 12.424 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.287 -16.704 14.800 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.735 -16.294 15.750 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.774 -15.003 14.990 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.284 -15.791 10.228 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.824 -15.470 11.060 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.152 -17.118 11.036 1.00 0.01 H new ATOM 1554 N THR A 101 6.799 -13.413 15.347 1.00 0.00 N ATOM 1555 CA THR A 101 6.338 -12.056 15.770 1.00 0.01 C ATOM 1556 C THR A 101 7.525 -11.090 15.775 1.00 0.01 C ATOM 1557 O THR A 101 7.449 -9.997 16.301 1.00 0.01 O ATOM 1558 CB THR A 101 5.739 -12.136 17.176 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.725 -12.600 18.088 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.552 -13.100 17.169 1.00 0.01 C ATOM 0 H THR A 101 7.168 -13.999 16.096 1.00 0.00 H new ATOM 0 HA THR A 101 5.582 -11.697 15.072 1.00 0.01 H new ATOM 0 HB THR A 101 5.401 -11.147 17.484 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.341 -12.649 18.988 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.124 -13.158 18.170 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.795 -12.741 16.471 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.889 -14.090 16.861 1.00 0.01 H new ATOM 1568 N CYS A 102 8.623 -11.491 15.200 1.00 0.00 N ATOM 1569 CA CYS A 102 9.826 -10.610 15.173 1.00 0.00 C ATOM 1570 C CYS A 102 9.530 -9.306 14.422 1.00 0.01 C ATOM 1571 O CYS A 102 9.556 -8.233 14.991 1.00 0.01 O ATOM 1572 CB CYS A 102 10.970 -11.345 14.472 1.00 0.00 C ATOM 1573 SG CYS A 102 12.358 -10.209 14.230 1.00 0.01 S ATOM 0 H CYS A 102 8.741 -12.396 14.745 1.00 0.00 H new ATOM 0 HA CYS A 102 10.104 -10.366 16.198 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.286 -12.201 15.068 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.632 -11.733 13.511 1.00 0.00 H new ATOM 0 HG CYS A 102 12.470 -9.924 12.967 1.00 0.01 H new ATOM 1579 N PHE A 103 9.279 -9.385 13.139 1.00 0.00 N ATOM 1580 CA PHE A 103 9.016 -8.144 12.343 1.00 0.01 C ATOM 1581 C PHE A 103 7.510 -7.885 12.221 1.00 0.01 C ATOM 1582 O PHE A 103 7.093 -6.927 11.600 1.00 0.00 O ATOM 1583 CB PHE A 103 9.598 -8.328 10.938 1.00 0.00 C ATOM 1584 CG PHE A 103 11.107 -8.362 11.003 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.766 -9.544 11.355 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.847 -7.213 10.694 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.165 -9.580 11.401 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.245 -7.249 10.740 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.905 -8.432 11.094 1.00 0.00 C ATOM 0 H PHE A 103 9.245 -10.255 12.607 1.00 0.00 H new ATOM 0 HA PHE A 103 9.480 -7.297 12.848 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.224 -9.253 10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.272 -7.514 10.291 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.195 -10.430 11.592 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.339 -6.300 10.421 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.673 -10.493 11.673 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.816 -6.363 10.502 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.984 -8.459 11.130 1.00 0.00 H new ATOM 1599 N ASP A 104 6.685 -8.722 12.789 1.00 0.01 N ATOM 1600 CA ASP A 104 5.213 -8.495 12.668 1.00 0.01 C ATOM 1601 C ASP A 104 4.841 -7.150 13.285 1.00 0.00 C ATOM 1602 O ASP A 104 4.009 -6.428 12.768 1.00 0.01 O ATOM 1603 CB ASP A 104 4.450 -9.588 13.411 1.00 0.01 C ATOM 1604 CG ASP A 104 4.619 -10.920 12.684 1.00 0.01 C ATOM 1605 OD1 ASP A 104 5.167 -10.911 11.598 1.00 0.01 O ATOM 1606 OD2 ASP A 104 4.185 -11.926 13.221 1.00 0.00 O ATOM 0 H ASP A 104 6.960 -9.544 13.326 1.00 0.01 H new ATOM 0 HA ASP A 104 4.950 -8.510 11.610 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.819 -9.671 14.433 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.393 -9.329 13.474 1.00 0.01 H new ATOM 1611 N GLU A 105 5.438 -6.808 14.390 1.00 0.00 N ATOM 1612 CA GLU A 105 5.100 -5.515 15.038 1.00 0.00 C ATOM 1613 C GLU A 105 5.508 -4.371 14.116 1.00 0.00 C ATOM 1614 O GLU A 105 4.839 -3.365 14.034 1.00 0.01 O ATOM 1615 CB GLU A 105 5.834 -5.388 16.375 1.00 0.00 C ATOM 1616 CG GLU A 105 5.329 -4.142 17.107 1.00 0.00 C ATOM 1617 CD GLU A 105 6.013 -4.033 18.471 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.696 -4.973 18.845 1.00 0.01 O ATOM 1619 OE2 GLU A 105 5.842 -3.013 19.117 1.00 0.00 O ATOM 0 H GLU A 105 6.143 -7.367 14.871 1.00 0.00 H new ATOM 0 HA GLU A 105 4.026 -5.474 15.222 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.664 -6.276 16.983 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.909 -5.317 16.209 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.535 -3.251 16.514 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.248 -4.197 17.235 1.00 0.00 H new ATOM 1626 N ALA A 106 6.606 -4.509 13.427 1.00 0.00 N ATOM 1627 CA ALA A 106 7.051 -3.414 12.524 1.00 0.00 C ATOM 1628 C ALA A 106 6.083 -3.283 11.343 1.00 0.00 C ATOM 1629 O ALA A 106 5.714 -2.192 10.962 1.00 0.00 O ATOM 1630 CB ALA A 106 8.455 -3.724 12.004 1.00 0.00 C ATOM 0 H ALA A 106 7.212 -5.329 13.450 1.00 0.00 H new ATOM 0 HA ALA A 106 7.065 -2.475 13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.783 -2.923 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.144 -3.806 12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.440 -4.665 11.455 1.00 0.00 H new ATOM 1636 N GLN A 107 5.655 -4.375 10.763 1.00 0.00 N ATOM 1637 CA GLN A 107 4.703 -4.268 9.618 1.00 0.00 C ATOM 1638 C GLN A 107 3.434 -3.561 10.078 1.00 0.00 C ATOM 1639 O GLN A 107 2.880 -2.736 9.381 1.00 0.00 O ATOM 1640 CB GLN A 107 4.336 -5.656 9.093 1.00 0.00 C ATOM 1641 CG GLN A 107 3.354 -5.507 7.928 1.00 0.00 C ATOM 1642 CD GLN A 107 3.273 -6.822 7.152 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.272 -7.478 6.943 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.112 -7.240 6.719 1.00 0.00 N ATOM 0 H GLN A 107 5.919 -5.324 11.028 1.00 0.00 H new ATOM 0 HA GLN A 107 5.182 -3.701 8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.232 -6.183 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.889 -6.253 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.368 -5.234 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.678 -4.703 7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.273 -6.688 6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.046 -8.118 6.205 1.00 0.00 H new ATOM 1653 N LYS A 108 2.970 -3.879 11.252 1.00 0.00 N ATOM 1654 CA LYS A 108 1.737 -3.227 11.761 1.00 0.00 C ATOM 1655 C LYS A 108 1.983 -1.723 11.838 1.00 0.00 C ATOM 1656 O LYS A 108 1.132 -0.923 11.502 1.00 0.00 O ATOM 1657 CB LYS A 108 1.425 -3.775 13.149 1.00 0.00 C ATOM 1658 CG LYS A 108 0.094 -3.209 13.639 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.208 -3.770 15.027 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.586 -3.295 15.481 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.018 -4.090 16.664 1.00 0.00 N ATOM 0 H LYS A 108 3.392 -4.563 11.880 1.00 0.00 H new ATOM 0 HA LYS A 108 0.894 -3.427 11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.379 -4.864 13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.222 -3.509 13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.139 -2.121 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.705 -3.472 12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.176 -4.859 15.005 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.553 -3.443 15.736 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.553 -2.235 15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.307 -3.407 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.957 -3.768 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.065 -5.097 16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.334 -3.961 17.437 1.00 0.00 H new ATOM 1675 N LYS A 109 3.153 -1.337 12.260 1.00 0.01 N ATOM 1676 CA LYS A 109 3.477 0.110 12.343 1.00 0.00 C ATOM 1677 C LYS A 109 3.461 0.696 10.928 1.00 0.00 C ATOM 1678 O LYS A 109 3.026 1.811 10.715 1.00 0.00 O ATOM 1679 CB LYS A 109 4.866 0.287 12.968 1.00 0.00 C ATOM 1680 CG LYS A 109 4.857 -0.171 14.438 1.00 0.00 C ATOM 1681 CD LYS A 109 4.073 0.815 15.316 1.00 0.01 C ATOM 1682 CE LYS A 109 4.446 0.600 16.786 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.911 0.809 16.966 1.00 0.01 N ATOM 0 H LYS A 109 3.901 -1.966 12.552 1.00 0.01 H new ATOM 0 HA LYS A 109 2.744 0.626 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.601 -0.289 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.168 1.333 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.411 -1.163 14.511 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.881 -0.254 14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.297 1.840 15.019 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.002 0.670 15.177 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.889 1.292 17.418 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.171 -0.408 17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.116 0.983 17.971 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.424 -0.038 16.650 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.216 1.629 16.404 1.00 0.01 H new ATOM 1697 N ILE A 110 3.919 -0.049 9.954 1.00 0.00 N ATOM 1698 CA ILE A 110 3.910 0.476 8.558 1.00 0.00 C ATOM 1699 C ILE A 110 2.459 0.693 8.131 1.00 0.00 C ATOM 1700 O ILE A 110 2.114 1.716 7.574 1.00 0.00 O ATOM 1701 CB ILE A 110 4.565 -0.538 7.611 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.062 -0.696 7.943 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.400 -0.075 6.161 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.804 0.649 7.846 1.00 0.00 C ATOM 0 H ILE A 110 4.296 -0.990 10.065 1.00 0.00 H new ATOM 0 HA ILE A 110 4.466 1.413 8.516 1.00 0.00 H new ATOM 0 HB ILE A 110 4.076 -1.503 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.172 -1.102 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.514 -1.413 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.867 -0.799 5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.339 0.007 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.876 0.897 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.857 0.502 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.714 1.042 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.367 1.357 8.550 1.00 0.00 H new ATOM 1716 N PHE A 111 1.599 -0.254 8.397 1.00 0.00 N ATOM 1717 CA PHE A 111 0.172 -0.079 8.015 1.00 0.00 C ATOM 1718 C PHE A 111 -0.370 1.162 8.735 1.00 0.00 C ATOM 1719 O PHE A 111 -0.990 2.017 8.140 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.630 -1.340 8.421 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.824 -2.249 7.218 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.278 -2.620 6.437 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.105 -2.702 6.878 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.096 -3.443 5.316 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.283 -3.524 5.761 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.188 -3.894 4.980 1.00 0.00 C ATOM 0 H PHE A 111 1.823 -1.135 8.859 1.00 0.00 H new ATOM 0 HA PHE A 111 0.076 0.055 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.103 -1.877 9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.599 -1.049 8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.267 -2.273 6.698 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.956 -2.416 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.944 -3.729 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.271 -3.874 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.329 -4.528 4.117 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.131 1.267 10.011 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.624 2.455 10.761 1.00 0.00 C ATOM 1738 C ASN A 112 0.016 3.730 10.200 1.00 0.00 C ATOM 1739 O ASN A 112 -0.640 4.733 10.011 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.254 2.309 12.239 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.129 1.230 12.879 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.265 1.044 12.491 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.642 0.502 13.848 1.00 0.00 N ATOM 0 H ASN A 112 0.383 0.583 10.567 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.707 2.522 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.799 2.044 12.337 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.393 3.259 12.755 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.216 -0.223 14.279 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.312 0.658 14.174 1.00 0.00 H new ATOM 1750 N LEU A 113 1.297 3.702 9.946 1.00 0.00 N ATOM 1751 CA LEU A 113 1.976 4.920 9.415 1.00 0.00 C ATOM 1752 C LEU A 113 1.437 5.282 8.028 1.00 0.00 C ATOM 1753 O LEU A 113 0.988 6.388 7.798 1.00 0.00 O ATOM 1754 CB LEU A 113 3.483 4.654 9.325 1.00 0.00 C ATOM 1755 CG LEU A 113 4.213 5.873 8.737 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.983 7.107 9.623 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.712 5.564 8.670 1.00 0.00 C ATOM 0 H LEU A 113 1.901 2.892 10.083 1.00 0.00 H new ATOM 0 HA LEU A 113 1.781 5.754 10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.878 4.430 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.667 3.778 8.703 1.00 0.00 H new ATOM 0 HG LEU A 113 3.827 6.082 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.505 7.964 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.916 7.322 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.365 6.912 10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.242 6.421 8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.086 5.357 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.876 4.693 8.035 1.00 0.00 H new ATOM 1769 N MET A 114 1.497 4.374 7.097 1.00 0.00 N ATOM 1770 CA MET A 114 1.010 4.690 5.726 1.00 0.00 C ATOM 1771 C MET A 114 -0.500 4.954 5.753 1.00 0.00 C ATOM 1772 O MET A 114 -0.992 5.846 5.095 1.00 0.00 O ATOM 1773 CB MET A 114 1.327 3.511 4.794 1.00 0.00 C ATOM 1774 CG MET A 114 0.405 2.328 5.109 1.00 0.00 C ATOM 1775 SD MET A 114 1.167 0.788 4.539 1.00 0.00 S ATOM 1776 CE MET A 114 1.215 1.194 2.780 1.00 0.00 C ATOM 0 H MET A 114 1.861 3.430 7.224 1.00 0.00 H new ATOM 0 HA MET A 114 1.511 5.586 5.358 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.200 3.814 3.755 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.368 3.212 4.914 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.218 2.277 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.561 2.468 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.330 0.279 2.198 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.287 1.690 2.496 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.057 1.858 2.583 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.240 4.189 6.506 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.715 4.405 6.558 1.00 0.00 C ATOM 1788 C GLU A 115 -3.022 5.787 7.149 1.00 0.00 C ATOM 1789 O GLU A 115 -3.895 6.492 6.697 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.354 3.323 7.434 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.878 3.434 7.362 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.508 2.301 8.173 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.776 1.409 8.574 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.709 2.340 8.376 1.00 0.01 O ATOM 0 H GLU A 115 -0.890 3.426 7.086 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.122 4.351 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.036 2.336 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.020 3.433 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.202 4.399 7.752 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.209 3.381 6.325 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.328 6.177 8.169 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.605 7.506 8.777 1.00 0.00 C ATOM 1803 C LYS A 116 -2.065 8.638 7.897 1.00 0.01 C ATOM 1804 O LYS A 116 -2.640 9.706 7.837 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.966 7.570 10.160 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.732 6.640 11.100 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.111 6.686 12.493 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.885 5.752 13.420 1.00 0.00 C ATOM 1809 NZ LYS A 116 -2.252 5.753 14.767 1.00 0.00 N ATOM 0 H LYS A 116 -1.582 5.639 8.611 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.684 7.633 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.919 7.273 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.988 8.592 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.779 6.939 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.709 5.620 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.064 6.386 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.135 7.704 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.924 6.075 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.894 4.742 13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.779 5.117 15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.268 5.426 14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.266 6.717 15.156 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.947 8.434 7.241 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.354 9.526 6.400 1.00 0.00 C ATOM 1825 C ASP A 117 -0.632 9.322 4.904 1.00 0.00 C ATOM 1826 O ASP A 117 -0.871 10.272 4.189 1.00 0.00 O ATOM 1827 CB ASP A 117 1.160 9.551 6.622 1.00 0.00 C ATOM 1828 CG ASP A 117 1.462 10.058 8.035 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.598 10.701 8.611 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.552 9.797 8.517 1.00 0.00 O ATOM 0 H ASP A 117 -0.420 7.561 7.251 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.814 10.467 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.574 8.552 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.636 10.196 5.883 1.00 0.00 H new ATOM 1835 N SER A 118 -0.568 8.117 4.400 1.00 0.00 N ATOM 1836 CA SER A 118 -0.798 7.935 2.930 1.00 0.00 C ATOM 1837 C SER A 118 -2.290 7.939 2.579 1.00 0.00 C ATOM 1838 O SER A 118 -2.701 8.638 1.690 1.00 0.01 O ATOM 1839 CB SER A 118 -0.182 6.617 2.455 1.00 0.00 C ATOM 1840 OG SER A 118 -1.060 5.544 2.774 1.00 0.00 O ATOM 0 H SER A 118 -0.371 7.266 4.927 1.00 0.00 H new ATOM 0 HA SER A 118 -0.322 8.776 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.007 6.651 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.786 6.463 2.931 1.00 0.00 H new ATOM 0 HG SER A 118 -1.363 5.634 3.702 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.097 7.155 3.246 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.557 7.105 2.896 1.00 0.00 C ATOM 1848 C TYR A 119 -5.167 8.514 2.868 1.00 0.01 C ATOM 1849 O TYR A 119 -5.784 8.902 1.895 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.301 6.228 3.933 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.892 4.992 3.285 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.083 4.162 2.503 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.242 4.676 3.478 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.625 3.014 1.914 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.783 3.530 2.888 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.971 2.699 2.106 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.493 1.562 1.525 1.00 0.00 O ATOM 0 H TYR A 119 -2.814 6.548 4.015 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.663 6.672 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.612 5.932 4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.094 6.810 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.042 4.406 2.354 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.866 5.318 4.083 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.001 2.371 1.310 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.825 3.286 3.035 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.453 1.684 1.372 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.021 9.281 3.910 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.623 10.639 3.886 1.00 0.01 C ATOM 1869 C ARG A 120 -5.019 11.420 2.730 1.00 0.00 C ATOM 1870 O ARG A 120 -5.705 12.118 2.018 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.356 11.353 5.210 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.183 10.679 6.308 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.975 11.409 7.633 1.00 0.00 C ATOM 1874 NE ARG A 120 -4.565 11.244 8.079 1.00 0.01 N ATOM 1875 CZ ARG A 120 -4.086 12.012 9.017 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -4.845 12.922 9.563 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -2.852 11.867 9.412 1.00 0.01 N ATOM 0 H ARG A 120 -4.520 9.032 4.763 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.702 10.565 3.751 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.295 11.309 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.621 12.407 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.239 10.689 6.039 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.889 9.634 6.408 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -6.209 12.467 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.654 11.013 8.388 1.00 0.00 H new ATOM 0 HE ARG A 120 -3.974 10.531 7.651 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.811 13.031 9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.472 13.524 10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -2.261 11.152 8.987 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -2.477 12.468 10.146 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.750 11.282 2.505 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.145 11.996 1.359 1.00 0.01 C ATOM 1893 C ARG A 121 -3.657 11.335 0.075 1.00 0.01 C ATOM 1894 O ARG A 121 -3.960 11.996 -0.893 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.615 11.900 1.435 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.104 12.573 2.722 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.051 14.099 2.543 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.328 14.724 3.702 1.00 0.01 N ATOM 1899 CZ ARG A 121 -0.729 14.563 4.937 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -1.867 13.979 5.197 1.00 0.00 N ATOM 1901 NH2 ARG A 121 -0.010 15.039 5.916 1.00 0.01 N ATOM 0 H ARG A 121 -3.111 10.712 3.059 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.419 13.051 1.374 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.307 10.854 1.416 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.169 12.379 0.563 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.758 12.321 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.112 12.195 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.544 14.347 1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.062 14.501 2.474 1.00 0.00 H new ATOM 0 HE ARG A 121 0.500 15.291 3.521 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -2.454 13.643 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.169 13.859 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.860 15.534 5.717 1.00 0.01 H new ATOM 0 HH22 ARG A 121 -0.317 14.917 6.881 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.757 10.029 0.071 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.241 9.305 -1.138 1.00 0.01 C ATOM 1917 C PHE A 122 -5.618 9.821 -1.541 1.00 0.01 C ATOM 1918 O PHE A 122 -5.819 10.264 -2.644 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.346 7.795 -0.817 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.968 6.988 -2.023 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.623 6.852 -2.335 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.944 6.380 -2.817 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.235 6.110 -3.446 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.563 5.632 -3.937 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.205 5.497 -4.253 1.00 0.00 C ATOM 0 H PHE A 122 -3.521 9.431 0.863 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.540 9.469 -1.956 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.691 7.546 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.362 7.550 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.876 7.323 -1.714 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.989 6.487 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.187 6.006 -3.687 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.313 5.161 -4.555 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.905 4.922 -5.117 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.568 9.750 -0.658 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.935 10.213 -1.004 1.00 0.00 C ATOM 1937 C LEU A 123 -7.876 11.691 -1.381 1.00 0.01 C ATOM 1938 O LEU A 123 -8.607 12.160 -2.231 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.849 10.039 0.211 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.843 8.576 0.674 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.701 8.449 1.935 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.414 7.667 -0.427 1.00 0.01 C ATOM 0 H LEU A 123 -6.457 9.391 0.290 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.323 9.631 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.515 10.686 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.864 10.344 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.818 8.270 0.886 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.702 7.412 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.291 9.084 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.722 8.760 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.404 6.632 -0.086 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.438 7.966 -0.650 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -8.805 7.758 -1.326 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.015 12.429 -0.740 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.900 13.888 -1.029 1.00 0.01 C ATOM 1956 C LYS A 124 -5.832 14.129 -2.109 1.00 0.01 C ATOM 1957 O LYS A 124 -5.548 15.256 -2.462 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.497 14.617 0.259 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.461 14.258 1.405 1.00 0.01 C ATOM 1960 CD LYS A 124 -8.790 14.999 1.240 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.676 14.730 2.457 1.00 0.01 C ATOM 1962 NZ LYS A 124 -9.018 15.260 3.686 1.00 0.01 N ATOM 0 H LYS A 124 -6.379 12.082 -0.021 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.857 14.264 -1.389 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.478 14.345 0.534 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.506 15.694 0.092 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.637 13.182 1.417 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.010 14.518 2.363 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -8.612 16.069 1.136 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.292 14.669 0.331 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -10.649 15.202 2.322 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.853 13.659 2.561 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.716 15.776 4.259 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.631 14.470 4.241 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.247 15.904 3.417 1.00 0.01 H new ATOM 1976 N SER A 125 -5.229 13.090 -2.634 1.00 0.00 N ATOM 1977 CA SER A 125 -4.180 13.292 -3.682 1.00 0.01 C ATOM 1978 C SER A 125 -4.823 13.506 -5.053 1.00 0.01 C ATOM 1979 O SER A 125 -5.969 13.172 -5.280 1.00 0.01 O ATOM 1980 CB SER A 125 -3.261 12.070 -3.757 1.00 0.01 C ATOM 1981 OG SER A 125 -4.037 10.912 -4.037 1.00 0.01 O ATOM 0 H SER A 125 -5.416 12.119 -2.385 1.00 0.00 H new ATOM 0 HA SER A 125 -3.601 14.174 -3.409 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.509 12.214 -4.533 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.727 11.944 -2.815 1.00 0.01 H new ATOM 0 HG SER A 125 -4.930 11.014 -3.646 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.074 14.056 -5.967 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.598 14.302 -7.341 1.00 0.01 C ATOM 1989 C ARG A 126 -4.844 12.964 -8.045 1.00 0.00 C ATOM 1990 O ARG A 126 -5.804 12.800 -8.771 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.561 15.102 -8.130 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.487 16.525 -7.576 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.318 17.266 -8.227 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.048 16.559 -7.891 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.055 16.857 -8.523 1.00 0.01 C ATOM 1996 NH1 ARG A 126 0.054 17.795 -9.430 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.159 16.223 -8.239 1.00 0.01 N ATOM 0 H ARG A 126 -3.108 14.350 -5.819 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.534 14.857 -7.283 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.585 14.622 -8.060 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.830 15.125 -9.186 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.420 17.052 -7.773 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -3.358 16.499 -6.494 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.452 17.306 -9.308 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.281 18.296 -7.872 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.041 15.841 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.808 18.295 -9.645 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.916 18.028 -9.924 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.160 15.496 -7.524 1.00 0.01 H new ATOM 0 HH22 ARG A 126 2.021 16.455 -8.732 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.968 12.013 -7.853 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.134 10.695 -8.529 1.00 0.01 C ATOM 2013 C PHE A 127 -5.471 10.074 -8.128 1.00 0.01 C ATOM 2014 O PHE A 127 -6.260 9.681 -8.959 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.019 9.751 -8.073 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.668 10.341 -8.397 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.069 10.090 -9.637 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.014 11.138 -7.450 1.00 0.00 C ATOM 2019 CE1 PHE A 127 0.185 10.637 -9.929 1.00 0.01 C ATOM 2020 CE2 PHE A 127 0.241 11.683 -7.741 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.842 11.432 -8.981 1.00 0.00 C ATOM 0 H PHE A 127 -3.144 12.093 -7.257 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.096 10.843 -9.608 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.099 9.575 -7.000 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.128 8.784 -8.564 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.574 9.475 -10.367 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.479 11.332 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.647 10.446 -10.886 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.746 12.297 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.812 11.851 -9.206 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.723 9.976 -6.858 1.00 0.01 N ATOM 2032 CA TYR A 128 -6.997 9.364 -6.397 1.00 0.01 C ATOM 2033 C TYR A 128 -8.185 10.154 -6.934 1.00 0.01 C ATOM 2034 O TYR A 128 -9.142 9.592 -7.417 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.037 9.385 -4.876 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.303 8.725 -4.393 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.330 7.342 -4.169 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.449 9.494 -4.162 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.504 6.731 -3.715 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.621 8.882 -3.706 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.650 7.500 -3.483 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.807 6.897 -3.035 1.00 0.01 O ATOM 0 H TYR A 128 -5.101 10.294 -6.115 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.053 8.339 -6.763 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.168 8.866 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -6.990 10.413 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.445 6.748 -4.347 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.428 10.560 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.526 5.665 -3.543 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.505 9.476 -3.526 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.507 7.574 -2.924 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.141 11.450 -6.843 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.289 12.257 -7.338 1.00 0.01 C ATOM 2054 C LEU A 129 -9.488 11.985 -8.831 1.00 0.01 C ATOM 2055 O LEU A 129 -10.580 11.689 -9.272 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.006 13.746 -7.114 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.002 14.066 -5.607 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.415 15.466 -5.391 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.435 14.022 -5.040 1.00 0.01 C ATOM 0 H LEU A 129 -7.366 11.984 -6.450 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.193 11.982 -6.795 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.044 14.011 -7.552 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.762 14.347 -7.619 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.397 13.321 -5.090 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.410 15.698 -4.326 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.395 15.496 -5.774 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.023 16.201 -5.919 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.412 14.251 -3.974 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.053 14.757 -5.555 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.855 13.027 -5.189 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.448 12.067 -9.615 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.604 11.795 -11.071 1.00 0.91 C ATOM 2073 C ASP A 130 -9.110 10.365 -11.250 1.00 1.05 C ATOM 2074 O ASP A 130 -10.017 10.104 -12.013 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.253 11.947 -11.773 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.849 13.421 -11.797 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.688 14.251 -11.483 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.708 13.697 -12.129 1.00 3.77 O ATOM 0 H ASP A 130 -7.504 12.309 -9.313 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.312 12.501 -11.504 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.495 11.360 -11.255 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.315 11.560 -12.790 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.528 9.443 -10.540 1.00 1.16 N ATOM 2084 CA LEU A 131 -8.969 8.029 -10.646 1.00 1.68 C ATOM 2085 C LEU A 131 -10.355 7.902 -10.013 1.00 2.00 C ATOM 2086 O LEU A 131 -11.135 7.040 -10.367 1.00 2.21 O ATOM 2087 CB LEU A 131 -7.970 7.129 -9.907 1.00 2.07 C ATOM 2088 CG LEU A 131 -6.579 7.224 -10.563 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -5.521 6.651 -9.613 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -6.542 6.420 -11.869 1.00 3.54 C ATOM 0 H LEU A 131 -7.762 9.610 -9.888 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.014 7.724 -11.691 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -7.907 7.426 -8.860 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.318 6.096 -9.925 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.373 8.273 -10.775 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -4.538 6.719 -10.079 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.522 7.219 -8.683 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -5.750 5.607 -9.401 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -5.552 6.499 -12.317 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -6.762 5.373 -11.658 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.286 6.815 -12.561 1.00 3.54 H new ATOM 2102 N THR A 132 -10.664 8.770 -9.076 1.00 2.68 N ATOM 2103 CA THR A 132 -11.996 8.740 -8.400 1.00 3.30 C ATOM 2104 C THR A 132 -12.737 10.038 -8.696 1.00 3.72 C ATOM 2105 O THR A 132 -12.730 10.967 -7.913 1.00 3.94 O ATOM 2106 CB THR A 132 -11.815 8.603 -6.883 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.230 9.795 -6.371 1.00 4.04 O ATOM 2108 CG2 THR A 132 -10.906 7.404 -6.547 1.00 4.63 C ATOM 0 H THR A 132 -10.039 9.507 -8.749 1.00 2.68 H new ATOM 0 HA THR A 132 -12.565 7.888 -8.772 1.00 3.30 H new ATOM 0 HB THR A 132 -12.792 8.438 -6.428 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.221 9.760 -5.392 1.00 4.04 H new ATOM 0 HG21 THR A 132 -10.792 7.326 -5.466 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.355 6.488 -6.931 1.00 4.63 H new ATOM 0 HG23 THR A 132 -9.928 7.549 -7.006 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.377 10.105 -9.821 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.125 11.337 -10.185 1.00 4.82 C ATOM 2118 C ASN A 133 -15.402 11.403 -9.320 1.00 5.34 C ATOM 2119 O ASN A 133 -15.861 10.386 -8.848 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.494 11.256 -11.674 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.283 11.656 -12.522 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.094 12.818 -12.823 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.447 10.735 -12.917 1.00 6.48 N ATOM 0 H ASN A 133 -13.416 9.355 -10.512 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.524 12.230 -10.010 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.810 10.244 -11.927 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.335 11.916 -11.888 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.635 10.990 -13.479 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.606 9.760 -12.664 1.00 6.48 H new TER 2130 ASN A 133