USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.146 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0906 (180deg=-0.784) USER MOD Single : A 3 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.44) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.18) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.0818 (180deg=-0.936) USER MOD Single : A 11 SER OG : rot 180:sc= 0.223 USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.0521 (180deg=-0.75) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -26:sc= 0.067 USER MOD Single : A 25 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.06) USER MOD Single : A 29 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00288 K(o=-0.0029,f=-1.8!) USER MOD Single : A 46 ASN : amide:sc= -1.03 K(o=-1,f=-0.029) USER MOD Single : A 48 TYR OH : rot -141:sc= -2.78! USER MOD Single : A 52 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.3) USER MOD Single : A 55 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= -1.61! USER MOD Single : A 61 SER OG : rot 180:sc= -0.323 USER MOD Single : A 62 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -137:sc=-0.00712 (180deg=-0.0731) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 29:sc= 0.00809 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.168 -55.554 0.415 1.00 0.00 N ATOM 2 CA MET A 1 -15.683 -55.421 0.362 1.00 0.00 C ATOM 3 C MET A 1 -15.117 -56.312 -0.744 1.00 0.00 C ATOM 4 O MET A 1 -15.184 -57.524 -0.672 1.00 0.00 O ATOM 5 CB MET A 1 -15.187 -55.889 1.732 1.00 0.00 C ATOM 6 CG MET A 1 -15.608 -54.878 2.802 1.00 0.00 C ATOM 7 SD MET A 1 -15.069 -55.462 4.428 1.00 0.00 S ATOM 8 CE MET A 1 -13.293 -55.233 4.169 1.00 0.00 C ATOM 0 H1 MET A 1 -17.579 -54.693 0.829 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.539 -55.686 -0.547 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.422 -56.375 1.000 1.00 0.00 H new ATOM 0 HA MET A 1 -15.369 -54.400 0.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.599 -56.871 1.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.102 -55.992 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.169 -53.903 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.690 -54.749 2.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.804 -55.064 5.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.876 -56.124 3.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.128 -54.372 3.521 1.00 0.00 H new ATOM 20 N GLY A 2 -14.562 -55.717 -1.768 1.00 0.00 N ATOM 21 CA GLY A 2 -13.989 -56.521 -2.886 1.00 0.00 C ATOM 22 C GLY A 2 -12.475 -56.645 -2.706 1.00 0.00 C ATOM 23 O GLY A 2 -11.746 -56.834 -3.660 1.00 0.00 O ATOM 0 H GLY A 2 -14.481 -54.706 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.445 -57.511 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.214 -56.046 -3.841 1.00 0.00 H new ATOM 27 N ASN A 3 -11.992 -56.541 -1.487 1.00 0.00 N ATOM 28 CA ASN A 3 -10.514 -56.655 -1.239 1.00 0.00 C ATOM 29 C ASN A 3 -9.751 -55.647 -2.105 1.00 0.00 C ATOM 30 O ASN A 3 -8.727 -55.961 -2.682 1.00 0.00 O ATOM 31 CB ASN A 3 -10.151 -58.093 -1.630 1.00 0.00 C ATOM 32 CG ASN A 3 -8.756 -58.431 -1.108 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.799 -58.442 -1.858 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.599 -58.712 0.155 1.00 0.00 N ATOM 0 H ASN A 3 -12.557 -56.382 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.252 -56.441 -0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.882 -58.788 -1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.181 -58.204 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.673 -58.941 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.402 -58.702 0.783 1.00 0.00 H new ATOM 41 N LYS A 4 -10.252 -54.440 -2.207 1.00 0.00 N ATOM 42 CA LYS A 4 -9.571 -53.407 -3.045 1.00 0.00 C ATOM 43 C LYS A 4 -8.370 -52.825 -2.295 1.00 0.00 C ATOM 44 O LYS A 4 -8.400 -52.661 -1.091 1.00 0.00 O ATOM 45 CB LYS A 4 -10.627 -52.324 -3.287 1.00 0.00 C ATOM 46 CG LYS A 4 -11.835 -52.929 -4.012 1.00 0.00 C ATOM 47 CD LYS A 4 -11.420 -53.404 -5.406 1.00 0.00 C ATOM 48 CE LYS A 4 -12.632 -54.000 -6.126 1.00 0.00 C ATOM 49 NZ LYS A 4 -12.124 -54.385 -7.472 1.00 0.00 N ATOM 0 H LYS A 4 -11.105 -54.126 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.193 -53.822 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.941 -51.891 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.202 -51.515 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.234 -53.765 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.631 -52.188 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.017 -52.570 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.628 -54.149 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.025 -54.864 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.443 -53.275 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.897 -54.803 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.762 -53.541 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.358 -55.080 -7.368 1.00 0.00 H new ATOM 63 N GLN A 5 -7.311 -52.515 -3.001 1.00 0.00 N ATOM 64 CA GLN A 5 -6.101 -51.946 -2.336 1.00 0.00 C ATOM 65 C GLN A 5 -5.822 -50.532 -2.849 1.00 0.00 C ATOM 66 O GLN A 5 -5.563 -49.626 -2.078 1.00 0.00 O ATOM 67 CB GLN A 5 -4.957 -52.887 -2.720 1.00 0.00 C ATOM 68 CG GLN A 5 -5.232 -54.287 -2.166 1.00 0.00 C ATOM 69 CD GLN A 5 -5.252 -54.243 -0.636 1.00 0.00 C ATOM 70 OE1 GLN A 5 -4.322 -53.764 -0.018 1.00 0.00 O ATOM 71 NE2 GLN A 5 -6.282 -54.724 0.005 1.00 0.00 N ATOM 0 H GLN A 5 -7.233 -52.632 -4.011 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.226 -51.871 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.856 -52.928 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.014 -52.508 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.187 -54.656 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.465 -54.981 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.063 -55.126 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.306 -54.698 1.024 1.00 0.00 H new ATOM 80 N ALA A 6 -5.867 -50.338 -4.142 1.00 0.00 N ATOM 81 CA ALA A 6 -5.597 -48.980 -4.707 1.00 0.00 C ATOM 82 C ALA A 6 -6.658 -47.988 -4.229 1.00 0.00 C ATOM 83 O ALA A 6 -6.358 -46.857 -3.901 1.00 0.00 O ATOM 84 CB ALA A 6 -5.673 -49.148 -6.226 1.00 0.00 C ATOM 0 H ALA A 6 -6.079 -51.060 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.628 -48.593 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.485 -48.189 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.924 -49.870 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.665 -49.505 -6.503 1.00 0.00 H new ATOM 90 N LYS A 7 -7.904 -48.404 -4.187 1.00 0.00 N ATOM 91 CA LYS A 7 -9.001 -47.488 -3.730 1.00 0.00 C ATOM 92 C LYS A 7 -8.967 -46.179 -4.525 1.00 0.00 C ATOM 93 O LYS A 7 -9.125 -45.105 -3.975 1.00 0.00 O ATOM 94 CB LYS A 7 -8.713 -47.227 -2.248 1.00 0.00 C ATOM 95 CG LYS A 7 -10.018 -47.271 -1.455 1.00 0.00 C ATOM 96 CD LYS A 7 -9.707 -47.175 0.039 1.00 0.00 C ATOM 97 CE LYS A 7 -11.017 -47.117 0.828 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.682 -48.426 0.572 1.00 0.00 N ATOM 0 H LYS A 7 -8.209 -49.341 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.989 -47.923 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.018 -47.975 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.235 -46.255 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.667 -46.449 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.555 -48.196 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.117 -48.035 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.108 -46.287 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.830 -46.971 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.640 -46.287 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.313 -48.656 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.236 -48.368 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.961 -49.169 0.477 1.00 0.00 H new ATOM 112 N ALA A 8 -8.747 -46.268 -5.810 1.00 0.00 N ATOM 113 CA ALA A 8 -8.687 -45.037 -6.648 1.00 0.00 C ATOM 114 C ALA A 8 -10.101 -44.512 -6.935 1.00 0.00 C ATOM 115 O ALA A 8 -11.047 -45.273 -6.954 1.00 0.00 O ATOM 116 CB ALA A 8 -7.998 -45.459 -7.946 1.00 0.00 C ATOM 0 H ALA A 8 -8.606 -47.143 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.147 -44.233 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.920 -44.600 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.000 -45.837 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.582 -46.242 -8.430 1.00 0.00 H new ATOM 122 N PRO A 9 -10.200 -43.219 -7.150 1.00 0.00 N ATOM 123 CA PRO A 9 -11.517 -42.605 -7.435 1.00 0.00 C ATOM 124 C PRO A 9 -11.965 -42.955 -8.855 1.00 0.00 C ATOM 125 O PRO A 9 -11.153 -43.222 -9.722 1.00 0.00 O ATOM 126 CB PRO A 9 -11.252 -41.107 -7.298 1.00 0.00 C ATOM 127 CG PRO A 9 -9.793 -40.943 -7.575 1.00 0.00 C ATOM 128 CD PRO A 9 -9.116 -42.220 -7.153 1.00 0.00 C ATOM 0 HA PRO A 9 -12.309 -42.952 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.854 -40.534 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.506 -40.751 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.621 -40.748 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.390 -40.093 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.321 -42.497 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.661 -42.123 -6.167 1.00 0.00 H new ATOM 136 N GLU A 10 -13.250 -42.953 -9.098 1.00 0.00 N ATOM 137 CA GLU A 10 -13.760 -43.280 -10.465 1.00 0.00 C ATOM 138 C GLU A 10 -13.277 -42.228 -11.468 1.00 0.00 C ATOM 139 O GLU A 10 -13.189 -41.057 -11.150 1.00 0.00 O ATOM 140 CB GLU A 10 -15.291 -43.250 -10.346 1.00 0.00 C ATOM 141 CG GLU A 10 -15.766 -41.838 -9.977 1.00 0.00 C ATOM 142 CD GLU A 10 -17.289 -41.825 -9.848 1.00 0.00 C ATOM 143 OE1 GLU A 10 -17.826 -42.785 -9.323 1.00 0.00 O ATOM 144 OE2 GLU A 10 -17.891 -40.854 -10.276 1.00 0.00 O ATOM 0 H GLU A 10 -13.970 -42.739 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.404 -44.248 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.743 -43.559 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.618 -43.961 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.309 -41.524 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.450 -41.126 -10.740 1.00 0.00 H new ATOM 151 N SER A 11 -12.971 -42.630 -12.680 1.00 0.00 N ATOM 152 CA SER A 11 -12.499 -41.646 -13.709 1.00 0.00 C ATOM 153 C SER A 11 -11.324 -40.828 -13.159 1.00 0.00 C ATOM 154 O SER A 11 -10.685 -41.223 -12.200 1.00 0.00 O ATOM 155 CB SER A 11 -13.706 -40.743 -13.984 1.00 0.00 C ATOM 156 OG SER A 11 -13.423 -39.895 -15.090 1.00 0.00 O ATOM 0 H SER A 11 -13.028 -43.596 -13.001 1.00 0.00 H new ATOM 0 HA SER A 11 -12.146 -42.136 -14.617 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.587 -41.350 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.934 -40.144 -13.102 1.00 0.00 H new ATOM 0 HG SER A 11 -14.196 -39.319 -15.267 1.00 0.00 H new ATOM 162 N LYS A 12 -11.038 -39.700 -13.750 1.00 0.00 N ATOM 163 CA LYS A 12 -9.907 -38.863 -13.255 1.00 0.00 C ATOM 164 C LYS A 12 -10.440 -37.638 -12.508 1.00 0.00 C ATOM 165 O LYS A 12 -11.445 -37.063 -12.878 1.00 0.00 O ATOM 166 CB LYS A 12 -9.153 -38.436 -14.512 1.00 0.00 C ATOM 167 CG LYS A 12 -8.537 -39.666 -15.179 1.00 0.00 C ATOM 168 CD LYS A 12 -7.808 -39.239 -16.454 1.00 0.00 C ATOM 169 CE LYS A 12 -7.236 -40.473 -17.157 1.00 0.00 C ATOM 170 NZ LYS A 12 -6.155 -40.964 -16.257 1.00 0.00 N ATOM 0 H LYS A 12 -11.538 -39.321 -14.554 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.267 -39.405 -12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.831 -37.935 -15.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.373 -37.719 -14.255 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.842 -40.155 -14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.314 -40.392 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.494 -38.715 -17.119 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.006 -38.542 -16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.003 -41.234 -17.304 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.844 -40.220 -18.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.459 -41.501 -16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.686 -40.154 -15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.565 -41.580 -15.526 1.00 0.00 H new ATOM 184 N ASP A 13 -9.765 -37.237 -11.464 1.00 0.00 N ATOM 185 CA ASP A 13 -10.214 -36.046 -10.687 1.00 0.00 C ATOM 186 C ASP A 13 -9.427 -34.799 -11.109 1.00 0.00 C ATOM 187 O ASP A 13 -9.438 -33.793 -10.425 1.00 0.00 O ATOM 188 CB ASP A 13 -9.932 -36.392 -9.224 1.00 0.00 C ATOM 189 CG ASP A 13 -10.809 -37.573 -8.795 1.00 0.00 C ATOM 190 OD1 ASP A 13 -11.873 -37.742 -9.371 1.00 0.00 O ATOM 191 OD2 ASP A 13 -10.401 -38.292 -7.898 1.00 0.00 O ATOM 0 H ASP A 13 -8.918 -37.685 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.267 -35.823 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.879 -36.643 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.133 -35.528 -8.591 1.00 0.00 H new ATOM 196 N SER A 14 -8.732 -34.855 -12.228 1.00 0.00 N ATOM 197 CA SER A 14 -7.934 -33.671 -12.691 1.00 0.00 C ATOM 198 C SER A 14 -6.924 -33.269 -11.604 1.00 0.00 C ATOM 199 O SER A 14 -6.992 -32.178 -11.070 1.00 0.00 O ATOM 200 CB SER A 14 -8.957 -32.559 -12.941 1.00 0.00 C ATOM 201 OG SER A 14 -10.082 -33.109 -13.616 1.00 0.00 O ATOM 0 H SER A 14 -8.685 -35.671 -12.839 1.00 0.00 H new ATOM 0 HA SER A 14 -7.360 -33.881 -13.593 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.266 -32.112 -11.996 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.511 -31.764 -13.539 1.00 0.00 H new ATOM 0 HG SER A 14 -10.743 -32.404 -13.779 1.00 0.00 H new ATOM 207 N PRO A 15 -6.017 -34.175 -11.302 1.00 0.00 N ATOM 208 CA PRO A 15 -4.994 -33.908 -10.258 1.00 0.00 C ATOM 209 C PRO A 15 -3.977 -32.860 -10.728 1.00 0.00 C ATOM 210 O PRO A 15 -3.271 -32.272 -9.930 1.00 0.00 O ATOM 211 CB PRO A 15 -4.326 -35.266 -10.051 1.00 0.00 C ATOM 212 CG PRO A 15 -4.550 -36.010 -11.327 1.00 0.00 C ATOM 213 CD PRO A 15 -5.848 -35.513 -11.902 1.00 0.00 C ATOM 0 HA PRO A 15 -5.426 -33.504 -9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.262 -35.154 -9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.763 -35.795 -9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.729 -35.839 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.595 -37.084 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.808 -35.460 -12.990 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.677 -36.173 -11.645 1.00 0.00 H new ATOM 221 N ARG A 16 -3.893 -32.626 -12.014 1.00 0.00 N ATOM 222 CA ARG A 16 -2.918 -31.622 -12.539 1.00 0.00 C ATOM 223 C ARG A 16 -3.658 -30.430 -13.156 1.00 0.00 C ATOM 224 O ARG A 16 -3.243 -29.891 -14.166 1.00 0.00 O ATOM 225 CB ARG A 16 -2.110 -32.371 -13.607 1.00 0.00 C ATOM 226 CG ARG A 16 -3.032 -32.816 -14.750 1.00 0.00 C ATOM 227 CD ARG A 16 -2.212 -33.500 -15.840 1.00 0.00 C ATOM 228 NE ARG A 16 -3.207 -33.867 -16.887 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.883 -34.707 -17.828 1.00 0.00 C ATOM 230 NH1 ARG A 16 -2.234 -35.800 -17.534 1.00 0.00 N ATOM 231 NH2 ARG A 16 -3.211 -34.456 -19.065 1.00 0.00 N ATOM 0 H ARG A 16 -4.460 -33.089 -12.725 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.278 -31.220 -11.753 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.321 -31.727 -13.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.623 -33.239 -13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.792 -33.499 -14.371 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.556 -31.954 -15.163 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.447 -32.833 -16.237 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.699 -34.381 -15.455 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.142 -33.460 -16.867 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.980 -35.997 -16.566 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.981 -36.457 -18.272 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.721 -33.603 -19.294 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.958 -35.113 -19.803 1.00 0.00 H new ATOM 245 N ALA A 17 -4.749 -30.026 -12.565 1.00 0.00 N ATOM 246 CA ALA A 17 -5.521 -28.878 -13.121 1.00 0.00 C ATOM 247 C ALA A 17 -5.514 -27.710 -12.134 1.00 0.00 C ATOM 248 O ALA A 17 -5.472 -27.902 -10.933 1.00 0.00 O ATOM 249 CB ALA A 17 -6.940 -29.414 -13.312 1.00 0.00 C ATOM 0 H ALA A 17 -5.140 -30.442 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.097 -28.506 -14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.574 -28.627 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.920 -30.258 -14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.338 -29.740 -12.351 1.00 0.00 H new ATOM 255 N SER A 18 -5.554 -26.505 -12.635 1.00 0.00 N ATOM 256 CA SER A 18 -5.549 -25.314 -11.737 1.00 0.00 C ATOM 257 C SER A 18 -6.618 -24.314 -12.186 1.00 0.00 C ATOM 258 O SER A 18 -6.885 -24.165 -13.363 1.00 0.00 O ATOM 259 CB SER A 18 -4.153 -24.711 -11.886 1.00 0.00 C ATOM 260 OG SER A 18 -4.015 -23.618 -10.988 1.00 0.00 O ATOM 0 H SER A 18 -5.590 -26.293 -13.632 1.00 0.00 H new ATOM 0 HA SER A 18 -5.770 -25.574 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.394 -25.465 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.997 -24.376 -12.911 1.00 0.00 H new ATOM 0 HG SER A 18 -3.120 -23.230 -11.080 1.00 0.00 H new ATOM 266 N LEU A 19 -7.229 -23.633 -11.253 1.00 0.00 N ATOM 267 CA LEU A 19 -8.285 -22.640 -11.610 1.00 0.00 C ATOM 268 C LEU A 19 -7.726 -21.219 -11.502 1.00 0.00 C ATOM 269 O LEU A 19 -6.883 -20.937 -10.672 1.00 0.00 O ATOM 270 CB LEU A 19 -9.401 -22.859 -10.587 1.00 0.00 C ATOM 271 CG LEU A 19 -9.996 -24.257 -10.767 1.00 0.00 C ATOM 272 CD1 LEU A 19 -10.953 -24.558 -9.612 1.00 0.00 C ATOM 273 CD2 LEU A 19 -10.763 -24.317 -12.090 1.00 0.00 C ATOM 0 H LEU A 19 -7.041 -23.722 -10.254 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.643 -22.765 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.008 -22.747 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.177 -22.104 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.193 -24.994 -10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.377 -25.554 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.409 -24.514 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.756 -23.821 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.187 -25.313 -12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.565 -23.579 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.083 -24.102 -12.915 1.00 0.00 H new ATOM 285 N ILE A 20 -8.186 -20.326 -12.341 1.00 0.00 N ATOM 286 CA ILE A 20 -7.685 -18.921 -12.296 1.00 0.00 C ATOM 287 C ILE A 20 -8.794 -17.990 -11.769 1.00 0.00 C ATOM 288 O ILE A 20 -9.574 -17.464 -12.537 1.00 0.00 O ATOM 289 CB ILE A 20 -7.297 -18.601 -13.744 1.00 0.00 C ATOM 290 CG1 ILE A 20 -6.096 -19.465 -14.125 1.00 0.00 C ATOM 291 CG2 ILE A 20 -6.915 -17.122 -13.884 1.00 0.00 C ATOM 292 CD1 ILE A 20 -5.810 -19.323 -15.619 1.00 0.00 C ATOM 0 H ILE A 20 -8.889 -20.511 -13.057 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.836 -18.785 -11.626 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.144 -18.807 -14.398 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.222 -19.164 -13.548 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.295 -20.509 -13.881 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.642 -16.913 -14.918 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.763 -16.499 -13.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.068 -16.902 -13.234 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.953 -19.941 -15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.681 -19.646 -16.189 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.592 -18.280 -15.850 1.00 0.00 H new ATOM 304 N PRO A 21 -8.826 -17.825 -10.462 1.00 0.00 N ATOM 305 CA PRO A 21 -9.851 -16.960 -9.825 1.00 0.00 C ATOM 306 C PRO A 21 -9.535 -15.485 -10.072 1.00 0.00 C ATOM 307 O PRO A 21 -8.441 -15.133 -10.471 1.00 0.00 O ATOM 308 CB PRO A 21 -9.739 -17.296 -8.338 1.00 0.00 C ATOM 309 CG PRO A 21 -8.341 -17.791 -8.156 1.00 0.00 C ATOM 310 CD PRO A 21 -7.918 -18.417 -9.459 1.00 0.00 C ATOM 0 HA PRO A 21 -10.853 -17.128 -10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.930 -16.419 -7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.467 -18.054 -8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.674 -16.971 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.293 -18.519 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.875 -18.195 -9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.013 -19.502 -9.428 1.00 0.00 H new ATOM 318 N ASP A 22 -10.488 -14.621 -9.833 1.00 0.00 N ATOM 319 CA ASP A 22 -10.254 -13.159 -10.046 1.00 0.00 C ATOM 320 C ASP A 22 -9.114 -12.674 -9.147 1.00 0.00 C ATOM 321 O ASP A 22 -8.982 -13.103 -8.016 1.00 0.00 O ATOM 322 CB ASP A 22 -11.568 -12.480 -9.649 1.00 0.00 C ATOM 323 CG ASP A 22 -11.488 -10.984 -9.958 1.00 0.00 C ATOM 324 OD1 ASP A 22 -11.284 -10.648 -11.113 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.633 -10.200 -9.035 1.00 0.00 O ATOM 0 H ASP A 22 -11.420 -14.865 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.973 -12.933 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.400 -12.929 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.761 -12.632 -8.587 1.00 0.00 H new ATOM 330 N ALA A 23 -8.292 -11.785 -9.643 1.00 0.00 N ATOM 331 CA ALA A 23 -7.156 -11.270 -8.817 1.00 0.00 C ATOM 332 C ALA A 23 -7.690 -10.361 -7.709 1.00 0.00 C ATOM 333 O ALA A 23 -7.629 -9.149 -7.804 1.00 0.00 O ATOM 334 CB ALA A 23 -6.280 -10.472 -9.787 1.00 0.00 C ATOM 0 H ALA A 23 -8.357 -11.393 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.597 -12.073 -8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.424 -10.062 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.929 -11.128 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.862 -9.657 -10.217 1.00 0.00 H new ATOM 340 N THR A 24 -8.214 -10.938 -6.659 1.00 0.00 N ATOM 341 CA THR A 24 -8.757 -10.114 -5.537 1.00 0.00 C ATOM 342 C THR A 24 -7.826 -10.170 -4.321 1.00 0.00 C ATOM 343 O THR A 24 -8.228 -9.877 -3.210 1.00 0.00 O ATOM 344 CB THR A 24 -10.108 -10.745 -5.201 1.00 0.00 C ATOM 345 OG1 THR A 24 -10.884 -10.857 -6.385 1.00 0.00 O ATOM 346 CG2 THR A 24 -10.845 -9.868 -4.186 1.00 0.00 C ATOM 0 H THR A 24 -8.290 -11.947 -6.529 1.00 0.00 H new ATOM 0 HA THR A 24 -8.848 -9.063 -5.812 1.00 0.00 H new ATOM 0 HB THR A 24 -9.951 -11.736 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.600 -10.174 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.808 -10.319 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.249 -9.783 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.004 -8.876 -4.609 1.00 0.00 H new ATOM 354 N HIS A 25 -6.590 -10.550 -4.521 1.00 0.00 N ATOM 355 CA HIS A 25 -5.633 -10.638 -3.380 1.00 0.00 C ATOM 356 C HIS A 25 -4.217 -10.322 -3.862 1.00 0.00 C ATOM 357 O HIS A 25 -3.962 -10.228 -5.048 1.00 0.00 O ATOM 358 CB HIS A 25 -5.728 -12.088 -2.883 1.00 0.00 C ATOM 359 CG HIS A 25 -5.365 -13.037 -3.999 1.00 0.00 C ATOM 360 ND1 HIS A 25 -6.325 -13.673 -4.775 1.00 0.00 N ATOM 361 CD2 HIS A 25 -4.151 -13.446 -4.493 1.00 0.00 C ATOM 362 CE1 HIS A 25 -5.679 -14.421 -5.687 1.00 0.00 C ATOM 363 NE2 HIS A 25 -4.355 -14.317 -5.556 1.00 0.00 N ATOM 0 H HIS A 25 -6.202 -10.804 -5.430 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.866 -9.927 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.059 -12.236 -2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.738 -12.296 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.187 -13.139 -4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.170 -15.030 -6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.642 -14.780 -6.119 1.00 0.00 H new ATOM 372 N LEU A 26 -3.299 -10.161 -2.948 1.00 0.00 N ATOM 373 CA LEU A 26 -1.894 -9.853 -3.347 1.00 0.00 C ATOM 374 C LEU A 26 -1.333 -10.985 -4.216 1.00 0.00 C ATOM 375 O LEU A 26 -1.252 -10.865 -5.422 1.00 0.00 O ATOM 376 CB LEU A 26 -1.122 -9.741 -2.031 1.00 0.00 C ATOM 377 CG LEU A 26 -1.487 -8.425 -1.342 1.00 0.00 C ATOM 378 CD1 LEU A 26 -2.584 -8.670 -0.304 1.00 0.00 C ATOM 379 CD2 LEU A 26 -0.249 -7.855 -0.651 1.00 0.00 C ATOM 0 H LEU A 26 -3.460 -10.229 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.820 -8.939 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.362 -10.583 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.049 -9.780 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.850 -7.716 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.840 -7.729 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.468 -9.075 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.227 -9.380 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.506 -6.917 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.113 -8.566 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.530 -7.675 -1.391 1.00 0.00 H new ATOM 391 N GLY A 27 -0.971 -12.090 -3.614 1.00 0.00 N ATOM 392 CA GLY A 27 -0.434 -13.237 -4.406 1.00 0.00 C ATOM 393 C GLY A 27 1.064 -13.426 -4.117 1.00 0.00 C ATOM 394 O GLY A 27 1.422 -14.103 -3.174 1.00 0.00 O ATOM 0 H GLY A 27 -1.024 -12.247 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.978 -14.148 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.587 -13.057 -5.470 1.00 0.00 H new ATOM 398 N PRO A 28 1.901 -12.830 -4.942 1.00 0.00 N ATOM 399 CA PRO A 28 3.368 -12.962 -4.752 1.00 0.00 C ATOM 400 C PRO A 28 3.816 -12.153 -3.535 1.00 0.00 C ATOM 401 O PRO A 28 3.170 -11.195 -3.149 1.00 0.00 O ATOM 402 CB PRO A 28 3.952 -12.380 -6.038 1.00 0.00 C ATOM 403 CG PRO A 28 2.909 -11.433 -6.538 1.00 0.00 C ATOM 404 CD PRO A 28 1.578 -11.984 -6.105 1.00 0.00 C ATOM 0 HA PRO A 28 3.689 -13.988 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.894 -11.866 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.158 -13.163 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.066 -10.435 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.956 -11.344 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.884 -11.187 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.108 -12.562 -6.900 1.00 0.00 H new ATOM 412 N GLN A 29 4.913 -12.526 -2.928 1.00 0.00 N ATOM 413 CA GLN A 29 5.401 -11.773 -1.739 1.00 0.00 C ATOM 414 C GLN A 29 6.837 -11.304 -1.977 1.00 0.00 C ATOM 415 O GLN A 29 7.707 -11.462 -1.142 1.00 0.00 O ATOM 416 CB GLN A 29 5.326 -12.766 -0.581 1.00 0.00 C ATOM 417 CG GLN A 29 5.577 -12.039 0.745 1.00 0.00 C ATOM 418 CD GLN A 29 5.354 -13.004 1.912 1.00 0.00 C ATOM 419 OE1 GLN A 29 4.707 -14.022 1.764 1.00 0.00 O ATOM 420 NE2 GLN A 29 5.866 -12.724 3.080 1.00 0.00 N ATOM 0 H GLN A 29 5.490 -13.320 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 29 4.810 -10.881 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.347 -13.245 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.065 -13.555 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.595 -11.651 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.907 -11.184 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.410 -11.870 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.722 -13.359 3.865 1.00 0.00 H new ATOM 429 N PHE A 30 7.077 -10.706 -3.112 1.00 0.00 N ATOM 430 CA PHE A 30 8.438 -10.191 -3.429 1.00 0.00 C ATOM 431 C PHE A 30 8.330 -8.729 -3.853 1.00 0.00 C ATOM 432 O PHE A 30 7.464 -8.370 -4.629 1.00 0.00 O ATOM 433 CB PHE A 30 8.934 -11.051 -4.590 1.00 0.00 C ATOM 434 CG PHE A 30 9.240 -12.439 -4.086 1.00 0.00 C ATOM 435 CD1 PHE A 30 10.484 -12.711 -3.506 1.00 0.00 C ATOM 436 CD2 PHE A 30 8.282 -13.452 -4.196 1.00 0.00 C ATOM 437 CE1 PHE A 30 10.770 -13.998 -3.034 1.00 0.00 C ATOM 438 CE2 PHE A 30 8.567 -14.738 -3.725 1.00 0.00 C ATOM 439 CZ PHE A 30 9.811 -15.011 -3.145 1.00 0.00 C ATOM 0 H PHE A 30 6.380 -10.551 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 30 9.118 -10.242 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.178 -11.095 -5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.826 -10.607 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.224 -11.928 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.322 -13.241 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.729 -14.208 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.827 -15.520 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.031 -16.004 -2.783 1.00 0.00 H new ATOM 449 N CYS A 31 9.196 -7.884 -3.358 1.00 0.00 N ATOM 450 CA CYS A 31 9.124 -6.449 -3.752 1.00 0.00 C ATOM 451 C CYS A 31 9.662 -6.274 -5.166 1.00 0.00 C ATOM 452 O CYS A 31 10.824 -6.497 -5.426 1.00 0.00 O ATOM 453 CB CYS A 31 9.997 -5.690 -2.753 1.00 0.00 C ATOM 454 SG CYS A 31 9.746 -3.914 -2.995 1.00 0.00 S ATOM 0 H CYS A 31 9.942 -8.123 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 31 8.099 -6.078 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.737 -5.973 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.047 -5.946 -2.897 1.00 0.00 H new ATOM 459 N LYS A 32 8.825 -5.874 -6.079 1.00 0.00 N ATOM 460 CA LYS A 32 9.286 -5.670 -7.481 1.00 0.00 C ATOM 461 C LYS A 32 9.530 -4.178 -7.753 1.00 0.00 C ATOM 462 O LYS A 32 9.991 -3.808 -8.817 1.00 0.00 O ATOM 463 CB LYS A 32 8.145 -6.190 -8.355 1.00 0.00 C ATOM 464 CG LYS A 32 7.991 -7.698 -8.149 1.00 0.00 C ATOM 465 CD LYS A 32 6.871 -8.224 -9.047 1.00 0.00 C ATOM 466 CE LYS A 32 5.521 -7.717 -8.533 1.00 0.00 C ATOM 467 NZ LYS A 32 4.504 -8.448 -9.339 1.00 0.00 N ATOM 0 H LYS A 32 7.837 -5.678 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 32 10.224 -6.187 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.216 -5.681 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.349 -5.974 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.927 -8.205 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.765 -7.912 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.028 -7.893 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.881 -9.314 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.402 -7.920 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.428 -6.639 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.551 -8.154 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.638 -8.230 -10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.612 -9.471 -9.189 1.00 0.00 H new ATOM 481 N SER A 33 9.201 -3.316 -6.813 1.00 0.00 N ATOM 482 CA SER A 33 9.392 -1.852 -7.044 1.00 0.00 C ATOM 483 C SER A 33 10.872 -1.461 -6.980 1.00 0.00 C ATOM 484 O SER A 33 11.435 -1.004 -7.959 1.00 0.00 O ATOM 485 CB SER A 33 8.622 -1.179 -5.907 1.00 0.00 C ATOM 486 OG SER A 33 9.051 0.170 -5.772 1.00 0.00 O ATOM 0 H SER A 33 8.812 -3.566 -5.904 1.00 0.00 H new ATOM 0 HA SER A 33 9.040 -1.553 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.552 -1.212 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.786 -1.718 -4.974 1.00 0.00 H new ATOM 0 HG SER A 33 8.555 0.600 -5.044 1.00 0.00 H new ATOM 492 N CYS A 34 11.514 -1.630 -5.845 1.00 0.00 N ATOM 493 CA CYS A 34 12.957 -1.251 -5.757 1.00 0.00 C ATOM 494 C CYS A 34 13.860 -2.337 -6.353 1.00 0.00 C ATOM 495 O CYS A 34 14.770 -2.039 -7.096 1.00 0.00 O ATOM 496 CB CYS A 34 13.270 -0.984 -4.272 1.00 0.00 C ATOM 497 SG CYS A 34 13.037 -2.465 -3.264 1.00 0.00 S ATOM 0 H CYS A 34 11.106 -2.008 -4.990 1.00 0.00 H new ATOM 0 HA CYS A 34 13.154 -0.354 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.298 -0.635 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.626 -0.187 -3.902 1.00 0.00 H new ATOM 502 N TRP A 35 13.625 -3.594 -6.030 1.00 0.00 N ATOM 503 CA TRP A 35 14.483 -4.707 -6.568 1.00 0.00 C ATOM 504 C TRP A 35 14.071 -6.030 -5.914 1.00 0.00 C ATOM 505 O TRP A 35 13.170 -6.069 -5.105 1.00 0.00 O ATOM 506 CB TRP A 35 15.944 -4.376 -6.192 1.00 0.00 C ATOM 507 CG TRP A 35 16.039 -4.010 -4.739 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.756 -4.840 -3.710 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.433 -2.738 -4.143 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.961 -4.164 -2.520 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.380 -2.866 -2.735 1.00 0.00 C ATOM 512 CE3 TRP A 35 16.832 -1.500 -4.681 1.00 0.00 C ATOM 513 CZ2 TRP A 35 16.709 -1.805 -1.890 1.00 0.00 C ATOM 514 CZ3 TRP A 35 17.163 -0.430 -3.832 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.104 -0.583 -2.441 1.00 0.00 C ATOM 0 H TRP A 35 12.871 -3.897 -5.413 1.00 0.00 H new ATOM 0 HA TRP A 35 14.371 -4.802 -7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.583 -5.234 -6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.307 -3.552 -6.806 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.424 -5.864 -3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.820 -4.574 -1.597 1.00 0.00 H new ATOM 0 HE3 TRP A 35 16.884 -1.372 -5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.659 -1.927 -0.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 17.465 0.517 -4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 35 17.364 0.243 -1.795 1.00 0.00 H new ATOM 526 N PHE A 36 14.737 -7.109 -6.244 1.00 0.00 N ATOM 527 CA PHE A 36 14.388 -8.430 -5.636 1.00 0.00 C ATOM 528 C PHE A 36 15.266 -8.692 -4.404 1.00 0.00 C ATOM 529 O PHE A 36 16.479 -8.622 -4.470 1.00 0.00 O ATOM 530 CB PHE A 36 14.693 -9.462 -6.724 1.00 0.00 C ATOM 531 CG PHE A 36 13.664 -9.395 -7.835 1.00 0.00 C ATOM 532 CD1 PHE A 36 12.406 -9.996 -7.675 1.00 0.00 C ATOM 533 CD2 PHE A 36 13.979 -8.746 -9.035 1.00 0.00 C ATOM 534 CE1 PHE A 36 11.472 -9.953 -8.719 1.00 0.00 C ATOM 535 CE2 PHE A 36 13.043 -8.701 -10.076 1.00 0.00 C ATOM 536 CZ PHE A 36 11.788 -9.301 -9.917 1.00 0.00 C ATOM 0 H PHE A 36 15.509 -7.132 -6.910 1.00 0.00 H new ATOM 0 HA PHE A 36 13.349 -8.470 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.688 -9.283 -7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.702 -10.462 -6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.158 -10.491 -6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.945 -8.279 -9.158 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.507 -10.423 -8.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.290 -8.203 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.064 -9.261 -10.718 1.00 0.00 H new ATOM 546 N GLU A 37 14.658 -8.992 -3.284 1.00 0.00 N ATOM 547 CA GLU A 37 15.447 -9.260 -2.042 1.00 0.00 C ATOM 548 C GLU A 37 14.567 -9.914 -0.970 1.00 0.00 C ATOM 549 O GLU A 37 15.011 -10.768 -0.227 1.00 0.00 O ATOM 550 CB GLU A 37 15.924 -7.888 -1.569 1.00 0.00 C ATOM 551 CG GLU A 37 16.826 -8.057 -0.344 1.00 0.00 C ATOM 552 CD GLU A 37 18.152 -8.710 -0.754 1.00 0.00 C ATOM 553 OE1 GLU A 37 18.503 -8.627 -1.921 1.00 0.00 O ATOM 554 OE2 GLU A 37 18.799 -9.279 0.111 1.00 0.00 O ATOM 0 H GLU A 37 13.646 -9.063 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 37 16.275 -9.943 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.468 -7.385 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.069 -7.259 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.016 -7.087 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.325 -8.671 0.405 1.00 0.00 H new ATOM 561 N ASN A 38 13.314 -9.517 -0.879 1.00 0.00 N ATOM 562 CA ASN A 38 12.392 -10.108 0.149 1.00 0.00 C ATOM 563 C ASN A 38 12.947 -9.857 1.555 1.00 0.00 C ATOM 564 O ASN A 38 12.696 -10.611 2.476 1.00 0.00 O ATOM 565 CB ASN A 38 12.351 -11.612 -0.158 1.00 0.00 C ATOM 566 CG ASN A 38 11.141 -12.249 0.519 1.00 0.00 C ATOM 567 OD1 ASN A 38 11.282 -12.994 1.469 1.00 0.00 O ATOM 568 ND2 ASN A 38 9.948 -11.991 0.062 1.00 0.00 N ATOM 0 H ASN A 38 12.890 -8.806 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 38 11.397 -9.665 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.301 -11.771 -1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.267 -12.088 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.131 -12.414 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.832 -11.366 -0.735 1.00 0.00 H new ATOM 575 N LYS A 39 13.703 -8.802 1.718 1.00 0.00 N ATOM 576 CA LYS A 39 14.287 -8.486 3.058 1.00 0.00 C ATOM 577 C LYS A 39 13.199 -8.036 4.042 1.00 0.00 C ATOM 578 O LYS A 39 13.150 -8.485 5.172 1.00 0.00 O ATOM 579 CB LYS A 39 15.291 -7.360 2.800 1.00 0.00 C ATOM 580 CG LYS A 39 16.033 -7.023 4.095 1.00 0.00 C ATOM 581 CD LYS A 39 15.375 -5.815 4.764 1.00 0.00 C ATOM 582 CE LYS A 39 16.106 -5.494 6.067 1.00 0.00 C ATOM 583 NZ LYS A 39 15.408 -4.297 6.611 1.00 0.00 N ATOM 0 H LYS A 39 13.943 -8.142 0.978 1.00 0.00 H new ATOM 0 HA LYS A 39 14.760 -9.358 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.002 -7.663 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.773 -6.477 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.016 -7.879 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.080 -6.807 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.405 -4.954 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.325 -6.025 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.058 -6.331 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.161 -5.289 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.852 -4.014 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.476 -3.515 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.407 -4.525 6.777 1.00 0.00 H new ATOM 597 N GLY A 40 12.339 -7.141 3.625 1.00 0.00 N ATOM 598 CA GLY A 40 11.261 -6.645 4.535 1.00 0.00 C ATOM 599 C GLY A 40 10.088 -6.132 3.698 1.00 0.00 C ATOM 600 O GLY A 40 9.677 -4.994 3.818 1.00 0.00 O ATOM 0 H GLY A 40 12.337 -6.731 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.929 -7.447 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.645 -5.847 5.171 1.00 0.00 H new ATOM 604 N LEU A 41 9.561 -6.967 2.844 1.00 0.00 N ATOM 605 CA LEU A 41 8.423 -6.541 1.975 1.00 0.00 C ATOM 606 C LEU A 41 7.197 -6.171 2.814 1.00 0.00 C ATOM 607 O LEU A 41 6.801 -6.882 3.719 1.00 0.00 O ATOM 608 CB LEU A 41 8.122 -7.755 1.091 1.00 0.00 C ATOM 609 CG LEU A 41 6.932 -7.454 0.168 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.331 -6.415 -0.879 1.00 0.00 C ATOM 611 CD2 LEU A 41 6.509 -8.738 -0.534 1.00 0.00 C ATOM 0 H LEU A 41 9.870 -7.930 2.709 1.00 0.00 H new ATOM 0 HA LEU A 41 8.672 -5.656 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.999 -8.007 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.899 -8.622 1.713 1.00 0.00 H new ATOM 0 HG LEU A 41 6.106 -7.063 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.481 -6.208 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.639 -5.496 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.159 -6.799 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.664 -8.532 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.342 -9.122 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.218 -9.480 0.209 1.00 0.00 H new ATOM 623 N VAL A 42 6.584 -5.071 2.481 1.00 0.00 N ATOM 624 CA VAL A 42 5.356 -4.622 3.194 1.00 0.00 C ATOM 625 C VAL A 42 4.213 -4.632 2.184 1.00 0.00 C ATOM 626 O VAL A 42 4.344 -4.116 1.089 1.00 0.00 O ATOM 627 CB VAL A 42 5.655 -3.200 3.674 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.448 -2.645 4.430 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.871 -3.222 4.605 1.00 0.00 C ATOM 0 H VAL A 42 6.888 -4.452 1.730 1.00 0.00 H new ATOM 0 HA VAL A 42 5.080 -5.255 4.037 1.00 0.00 H new ATOM 0 HB VAL A 42 5.864 -2.566 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.666 -1.632 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.581 -2.628 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.235 -3.279 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.085 -2.210 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.660 -3.859 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.734 -3.613 4.067 1.00 0.00 H new ATOM 639 N GLU A 43 3.117 -5.252 2.519 1.00 0.00 N ATOM 640 CA GLU A 43 1.990 -5.341 1.552 1.00 0.00 C ATOM 641 C GLU A 43 1.093 -4.104 1.565 1.00 0.00 C ATOM 642 O GLU A 43 0.374 -3.847 2.511 1.00 0.00 O ATOM 643 CB GLU A 43 1.184 -6.566 1.988 1.00 0.00 C ATOM 644 CG GLU A 43 1.979 -7.845 1.697 1.00 0.00 C ATOM 645 CD GLU A 43 1.240 -9.074 2.251 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.168 -8.906 2.816 1.00 0.00 O ATOM 647 OE2 GLU A 43 1.761 -10.166 2.101 1.00 0.00 O ATOM 0 H GLU A 43 2.953 -5.701 3.420 1.00 0.00 H new ATOM 0 HA GLU A 43 2.374 -5.415 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.957 -6.503 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.231 -6.592 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.124 -7.954 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.969 -7.775 2.147 1.00 0.00 H new ATOM 654 N CYS A 44 1.074 -3.401 0.467 1.00 0.00 N ATOM 655 CA CYS A 44 0.155 -2.238 0.315 1.00 0.00 C ATOM 656 C CYS A 44 -1.190 -2.862 -0.074 1.00 0.00 C ATOM 657 O CYS A 44 -1.257 -4.066 -0.253 1.00 0.00 O ATOM 658 CB CYS A 44 0.739 -1.408 -0.835 1.00 0.00 C ATOM 659 SG CYS A 44 0.527 0.367 -0.541 1.00 0.00 S ATOM 0 H CYS A 44 1.665 -3.586 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 44 0.038 -1.607 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.799 -1.636 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.251 -1.685 -1.770 1.00 0.00 H new ATOM 664 N ASN A 45 -2.266 -2.117 -0.183 1.00 0.00 N ATOM 665 CA ASN A 45 -3.563 -2.788 -0.544 1.00 0.00 C ATOM 666 C ASN A 45 -3.392 -3.610 -1.836 1.00 0.00 C ATOM 667 O ASN A 45 -3.335 -4.825 -1.804 1.00 0.00 O ATOM 668 CB ASN A 45 -4.556 -1.647 -0.766 1.00 0.00 C ATOM 669 CG ASN A 45 -4.949 -1.032 0.579 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.758 -1.633 1.618 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.497 0.151 0.603 1.00 0.00 N ATOM 0 H ASN A 45 -2.308 -1.107 -0.044 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.901 -3.475 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.112 -0.886 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.443 -2.019 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.765 0.571 1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.658 0.656 -0.268 1.00 0.00 H new ATOM 678 N ASN A 46 -3.257 -2.952 -2.958 1.00 0.00 N ATOM 679 CA ASN A 46 -3.032 -3.681 -4.248 1.00 0.00 C ATOM 680 C ASN A 46 -1.593 -3.473 -4.753 1.00 0.00 C ATOM 681 O ASN A 46 -1.358 -3.419 -5.946 1.00 0.00 O ATOM 682 CB ASN A 46 -4.054 -3.094 -5.217 1.00 0.00 C ATOM 683 CG ASN A 46 -5.438 -3.647 -4.873 1.00 0.00 C ATOM 684 OD1 ASN A 46 -5.992 -4.432 -5.614 1.00 0.00 O ATOM 685 ND2 ASN A 46 -6.017 -3.281 -3.761 1.00 0.00 N ATOM 0 H ASN A 46 -3.293 -1.936 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.155 -4.758 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.055 -2.006 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.790 -3.350 -6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.934 -3.655 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.552 -2.621 -3.137 1.00 0.00 H new ATOM 692 N HIS A 47 -0.642 -3.297 -3.868 1.00 0.00 N ATOM 693 CA HIS A 47 0.767 -3.028 -4.316 1.00 0.00 C ATOM 694 C HIS A 47 1.775 -3.554 -3.263 1.00 0.00 C ATOM 695 O HIS A 47 1.471 -3.612 -2.093 1.00 0.00 O ATOM 696 CB HIS A 47 0.767 -1.482 -4.464 1.00 0.00 C ATOM 697 CG HIS A 47 2.114 -0.868 -4.163 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.255 0.306 -3.421 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.387 -1.258 -4.486 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.569 0.570 -3.332 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.296 -0.353 -3.963 1.00 0.00 N ATOM 0 H HIS A 47 -0.776 -3.327 -2.857 1.00 0.00 H new ATOM 0 HA HIS A 47 1.067 -3.526 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.471 -1.218 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.020 -1.057 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.643 -2.136 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.984 1.422 -2.815 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.312 -0.386 -4.044 1.00 0.00 H new ATOM 709 N TYR A 48 2.965 -3.958 -3.669 1.00 0.00 N ATOM 710 CA TYR A 48 3.951 -4.486 -2.658 1.00 0.00 C ATOM 711 C TYR A 48 5.252 -3.669 -2.649 1.00 0.00 C ATOM 712 O TYR A 48 5.927 -3.539 -3.652 1.00 0.00 O ATOM 713 CB TYR A 48 4.296 -5.936 -3.061 1.00 0.00 C ATOM 714 CG TYR A 48 3.103 -6.658 -3.641 1.00 0.00 C ATOM 715 CD1 TYR A 48 1.856 -6.583 -3.011 1.00 0.00 C ATOM 716 CD2 TYR A 48 3.252 -7.394 -4.818 1.00 0.00 C ATOM 717 CE1 TYR A 48 0.756 -7.244 -3.566 1.00 0.00 C ATOM 718 CE2 TYR A 48 2.155 -8.058 -5.372 1.00 0.00 C ATOM 719 CZ TYR A 48 0.906 -7.982 -4.746 1.00 0.00 C ATOM 720 OH TYR A 48 -0.175 -8.633 -5.298 1.00 0.00 O ATOM 0 H TYR A 48 3.291 -3.946 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 48 3.505 -4.425 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.105 -5.927 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.660 -6.479 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.743 -6.016 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.217 -7.450 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.209 -7.185 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.271 -8.629 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 48 0.111 -9.502 -5.650 1.00 0.00 H new ATOM 730 N LEU A 49 5.633 -3.180 -1.497 1.00 0.00 N ATOM 731 CA LEU A 49 6.922 -2.437 -1.358 1.00 0.00 C ATOM 732 C LEU A 49 7.539 -2.822 -0.015 1.00 0.00 C ATOM 733 O LEU A 49 6.826 -3.084 0.928 1.00 0.00 O ATOM 734 CB LEU A 49 6.618 -0.934 -1.429 1.00 0.00 C ATOM 735 CG LEU A 49 5.618 -0.515 -0.350 1.00 0.00 C ATOM 736 CD1 LEU A 49 5.717 1.002 -0.147 1.00 0.00 C ATOM 737 CD2 LEU A 49 4.194 -0.880 -0.790 1.00 0.00 C ATOM 0 H LEU A 49 5.097 -3.265 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 49 7.627 -2.684 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.542 -0.368 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.218 -0.688 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 49 5.845 -1.032 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.008 1.313 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.728 1.262 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.485 1.510 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.486 -0.579 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.957 -0.364 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.126 -1.957 -0.945 1.00 0.00 H new ATOM 749 N CYS A 50 8.841 -2.877 0.085 1.00 0.00 N ATOM 750 CA CYS A 50 9.475 -3.269 1.373 1.00 0.00 C ATOM 751 C CYS A 50 9.857 -2.028 2.172 1.00 0.00 C ATOM 752 O CYS A 50 9.862 -0.923 1.665 1.00 0.00 O ATOM 753 CB CYS A 50 10.697 -4.132 1.010 1.00 0.00 C ATOM 754 SG CYS A 50 11.912 -3.166 0.085 1.00 0.00 S ATOM 0 H CYS A 50 9.492 -2.667 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 50 8.795 -3.837 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.153 -4.525 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.379 -4.989 0.417 1.00 0.00 H new ATOM 759 N LEU A 51 10.148 -2.209 3.430 1.00 0.00 N ATOM 760 CA LEU A 51 10.498 -1.054 4.303 1.00 0.00 C ATOM 761 C LEU A 51 11.695 -0.294 3.731 1.00 0.00 C ATOM 762 O LEU A 51 11.842 0.896 3.939 1.00 0.00 O ATOM 763 CB LEU A 51 10.857 -1.664 5.658 1.00 0.00 C ATOM 764 CG LEU A 51 10.671 -0.619 6.760 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.235 -0.678 7.284 1.00 0.00 C ATOM 766 CD2 LEU A 51 11.640 -0.912 7.906 1.00 0.00 C ATOM 0 H LEU A 51 10.158 -3.117 3.895 1.00 0.00 H new ATOM 0 HA LEU A 51 9.676 -0.343 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.227 -2.531 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.889 -2.016 5.647 1.00 0.00 H new ATOM 0 HG LEU A 51 10.870 0.374 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.103 0.067 8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.541 -0.472 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.036 -1.670 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.509 -0.169 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.438 -1.905 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.664 -0.872 7.536 1.00 0.00 H new ATOM 778 N ASN A 52 12.555 -0.980 3.020 1.00 0.00 N ATOM 779 CA ASN A 52 13.752 -0.301 2.442 1.00 0.00 C ATOM 780 C ASN A 52 13.323 0.822 1.493 1.00 0.00 C ATOM 781 O ASN A 52 13.756 1.947 1.628 1.00 0.00 O ATOM 782 CB ASN A 52 14.495 -1.389 1.666 1.00 0.00 C ATOM 783 CG ASN A 52 15.903 -0.904 1.327 1.00 0.00 C ATOM 784 OD1 ASN A 52 16.083 -0.076 0.455 1.00 0.00 O ATOM 785 ND2 ASN A 52 16.918 -1.388 1.988 1.00 0.00 N ATOM 0 H ASN A 52 12.479 -1.977 2.816 1.00 0.00 H new ATOM 0 HA ASN A 52 14.374 0.151 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.547 -2.302 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.953 -1.633 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.864 -1.072 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.766 -2.083 2.719 1.00 0.00 H new ATOM 792 N CYS A 53 12.457 0.533 0.550 1.00 0.00 N ATOM 793 CA CYS A 53 11.987 1.605 -0.387 1.00 0.00 C ATOM 794 C CYS A 53 10.747 2.294 0.186 1.00 0.00 C ATOM 795 O CYS A 53 10.489 3.454 -0.082 1.00 0.00 O ATOM 796 CB CYS A 53 11.699 0.920 -1.730 1.00 0.00 C ATOM 797 SG CYS A 53 10.374 -0.307 -1.569 1.00 0.00 S ATOM 0 H CYS A 53 12.058 -0.392 0.389 1.00 0.00 H new ATOM 0 HA CYS A 53 12.737 2.384 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.417 1.669 -2.470 1.00 0.00 H new ATOM 0 HB3 CYS A 53 12.604 0.436 -2.096 1.00 0.00 H new ATOM 802 N LEU A 54 9.985 1.589 0.983 1.00 0.00 N ATOM 803 CA LEU A 54 8.761 2.191 1.593 1.00 0.00 C ATOM 804 C LEU A 54 9.153 3.401 2.448 1.00 0.00 C ATOM 805 O LEU A 54 8.477 4.402 2.446 1.00 0.00 O ATOM 806 CB LEU A 54 8.149 1.066 2.447 1.00 0.00 C ATOM 807 CG LEU A 54 7.081 1.616 3.405 1.00 0.00 C ATOM 808 CD1 LEU A 54 5.937 2.242 2.612 1.00 0.00 C ATOM 809 CD2 LEU A 54 6.536 0.477 4.270 1.00 0.00 C ATOM 0 H LEU A 54 10.159 0.617 1.239 1.00 0.00 H new ATOM 0 HA LEU A 54 8.048 2.553 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.705 0.312 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.934 0.571 3.019 1.00 0.00 H new ATOM 0 HG LEU A 54 7.533 2.377 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.186 2.629 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.322 3.058 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.485 1.487 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.778 0.867 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.092 -0.285 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.349 0.037 4.847 1.00 0.00 H new ATOM 821 N THR A 55 10.228 3.308 3.179 1.00 0.00 N ATOM 822 CA THR A 55 10.655 4.460 4.034 1.00 0.00 C ATOM 823 C THR A 55 11.033 5.666 3.159 1.00 0.00 C ATOM 824 O THR A 55 10.651 6.786 3.444 1.00 0.00 O ATOM 825 CB THR A 55 11.875 3.949 4.806 1.00 0.00 C ATOM 826 OG1 THR A 55 11.488 2.841 5.609 1.00 0.00 O ATOM 827 CG2 THR A 55 12.425 5.060 5.704 1.00 0.00 C ATOM 0 H THR A 55 10.832 2.487 3.224 1.00 0.00 H new ATOM 0 HA THR A 55 9.861 4.794 4.701 1.00 0.00 H new ATOM 0 HB THR A 55 12.648 3.644 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.847 2.015 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.293 4.690 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.719 5.912 5.091 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.656 5.370 6.411 1.00 0.00 H new ATOM 835 N LEU A 56 11.787 5.450 2.109 1.00 0.00 N ATOM 836 CA LEU A 56 12.198 6.594 1.232 1.00 0.00 C ATOM 837 C LEU A 56 10.975 7.245 0.585 1.00 0.00 C ATOM 838 O LEU A 56 10.872 8.456 0.527 1.00 0.00 O ATOM 839 CB LEU A 56 13.125 5.990 0.169 1.00 0.00 C ATOM 840 CG LEU A 56 14.562 5.887 0.708 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.092 7.284 1.044 1.00 0.00 C ATOM 842 CD2 LEU A 56 14.593 5.015 1.968 1.00 0.00 C ATOM 0 H LEU A 56 12.135 4.536 1.821 1.00 0.00 H new ATOM 0 HA LEU A 56 12.701 7.377 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.765 5.002 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.110 6.607 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 56 15.191 5.433 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.110 7.205 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.088 7.901 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.456 7.742 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.615 4.950 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.956 5.459 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.230 4.016 1.728 1.00 0.00 H new ATOM 854 N LEU A 57 10.043 6.459 0.114 1.00 0.00 N ATOM 855 CA LEU A 57 8.820 7.044 -0.514 1.00 0.00 C ATOM 856 C LEU A 57 7.674 7.120 0.490 1.00 0.00 C ATOM 857 O LEU A 57 6.581 7.527 0.147 1.00 0.00 O ATOM 858 CB LEU A 57 8.432 6.080 -1.631 1.00 0.00 C ATOM 859 CG LEU A 57 9.480 6.127 -2.733 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.269 4.952 -3.687 1.00 0.00 C ATOM 861 CD2 LEU A 57 9.335 7.438 -3.504 1.00 0.00 C ATOM 0 H LEU A 57 10.075 5.440 0.136 1.00 0.00 H new ATOM 0 HA LEU A 57 9.014 8.055 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.348 5.067 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.455 6.348 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 57 10.476 6.064 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.020 4.985 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.362 4.016 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.275 5.016 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.083 7.479 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.339 7.494 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.480 8.278 -2.824 1.00 0.00 H new ATOM 873 N LEU A 58 7.886 6.696 1.721 1.00 0.00 N ATOM 874 CA LEU A 58 6.771 6.700 2.727 1.00 0.00 C ATOM 875 C LEU A 58 5.653 5.799 2.212 1.00 0.00 C ATOM 876 O LEU A 58 5.610 5.476 1.038 1.00 0.00 O ATOM 877 CB LEU A 58 6.300 8.159 2.847 1.00 0.00 C ATOM 878 CG LEU A 58 6.673 8.720 4.225 1.00 0.00 C ATOM 879 CD1 LEU A 58 5.984 7.900 5.319 1.00 0.00 C ATOM 880 CD2 LEU A 58 8.195 8.664 4.412 1.00 0.00 C ATOM 0 H LEU A 58 8.780 6.349 2.069 1.00 0.00 H new ATOM 0 HA LEU A 58 7.082 6.327 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.758 8.763 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.221 8.214 2.703 1.00 0.00 H new ATOM 0 HG LEU A 58 6.343 9.757 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.251 8.301 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.903 7.953 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.307 6.861 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.456 9.063 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.533 7.630 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.679 9.259 3.637 1.00 0.00 H new ATOM 892 N SER A 59 4.730 5.397 3.047 1.00 0.00 N ATOM 893 CA SER A 59 3.621 4.549 2.524 1.00 0.00 C ATOM 894 C SER A 59 2.824 5.431 1.570 1.00 0.00 C ATOM 895 O SER A 59 2.807 5.221 0.372 1.00 0.00 O ATOM 896 CB SER A 59 2.793 4.133 3.739 1.00 0.00 C ATOM 897 OG SER A 59 3.554 3.232 4.534 1.00 0.00 O ATOM 0 H SER A 59 4.695 5.613 4.043 1.00 0.00 H new ATOM 0 HA SER A 59 3.949 3.655 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.517 5.010 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.865 3.660 3.418 1.00 0.00 H new ATOM 0 HG SER A 59 3.029 2.962 5.316 1.00 0.00 H new ATOM 903 N VAL A 60 2.240 6.466 2.100 1.00 0.00 N ATOM 904 CA VAL A 60 1.509 7.441 1.254 1.00 0.00 C ATOM 905 C VAL A 60 1.612 8.825 1.891 1.00 0.00 C ATOM 906 O VAL A 60 0.608 9.425 2.234 1.00 0.00 O ATOM 907 CB VAL A 60 0.054 6.987 1.205 1.00 0.00 C ATOM 908 CG1 VAL A 60 -0.032 5.618 0.535 1.00 0.00 C ATOM 909 CG2 VAL A 60 -0.517 6.911 2.631 1.00 0.00 C ATOM 0 H VAL A 60 2.239 6.679 3.097 1.00 0.00 H new ATOM 0 HA VAL A 60 1.924 7.492 0.247 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.529 7.705 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.072 5.294 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.361 5.684 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.554 4.897 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.557 6.586 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.063 6.198 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.462 7.895 3.098 1.00 0.00 H new ATOM 919 N SER A 61 2.811 9.341 2.070 1.00 0.00 N ATOM 920 CA SER A 61 2.946 10.696 2.705 1.00 0.00 C ATOM 921 C SER A 61 2.046 11.689 1.963 1.00 0.00 C ATOM 922 O SER A 61 1.323 12.466 2.558 1.00 0.00 O ATOM 923 CB SER A 61 4.414 11.081 2.543 1.00 0.00 C ATOM 924 OG SER A 61 4.689 11.320 1.169 1.00 0.00 O ATOM 0 H SER A 61 3.688 8.890 1.808 1.00 0.00 H new ATOM 0 HA SER A 61 2.651 10.697 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.635 11.972 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.055 10.284 2.920 1.00 0.00 H new ATOM 0 HG SER A 61 5.631 11.569 1.062 1.00 0.00 H new ATOM 930 N ASN A 62 2.048 11.607 0.662 1.00 0.00 N ATOM 931 CA ASN A 62 1.161 12.473 -0.156 1.00 0.00 C ATOM 932 C ASN A 62 0.364 11.588 -1.116 1.00 0.00 C ATOM 933 O ASN A 62 -0.836 11.721 -1.256 1.00 0.00 O ATOM 934 CB ASN A 62 2.090 13.411 -0.924 1.00 0.00 C ATOM 935 CG ASN A 62 1.259 14.490 -1.623 1.00 0.00 C ATOM 936 OD1 ASN A 62 0.082 14.308 -1.865 1.00 0.00 O ATOM 937 ND2 ASN A 62 1.825 15.617 -1.957 1.00 0.00 N ATOM 0 H ASN A 62 2.635 10.968 0.126 1.00 0.00 H new ATOM 0 HA ASN A 62 0.451 13.041 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.805 13.872 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.667 12.849 -1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.280 16.344 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.813 15.771 -1.755 1.00 0.00 H new ATOM 944 N ARG A 63 1.039 10.683 -1.775 1.00 0.00 N ATOM 945 CA ARG A 63 0.347 9.773 -2.733 1.00 0.00 C ATOM 946 C ARG A 63 1.157 8.486 -2.941 1.00 0.00 C ATOM 947 O ARG A 63 2.370 8.519 -3.007 1.00 0.00 O ATOM 948 CB ARG A 63 0.293 10.570 -4.037 1.00 0.00 C ATOM 949 CG ARG A 63 -0.380 9.735 -5.128 1.00 0.00 C ATOM 950 CD ARG A 63 -0.238 10.454 -6.463 1.00 0.00 C ATOM 951 NE ARG A 63 -1.099 11.666 -6.335 1.00 0.00 N ATOM 952 CZ ARG A 63 -2.404 11.598 -6.519 1.00 0.00 C ATOM 953 NH1 ARG A 63 -3.012 10.449 -6.713 1.00 0.00 N ATOM 954 NH2 ARG A 63 -3.111 12.696 -6.498 1.00 0.00 N ATOM 0 H ARG A 63 2.045 10.535 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.638 9.471 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.259 11.498 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.301 10.846 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.078 8.747 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.433 9.585 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.800 10.724 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.564 9.822 -7.289 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.672 12.562 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.474 9.583 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.022 10.424 -6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.654 13.594 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.120 12.655 -6.639 1.00 0.00 H new ATOM 968 N CYS A 64 0.491 7.370 -3.109 1.00 0.00 N ATOM 969 CA CYS A 64 1.230 6.103 -3.387 1.00 0.00 C ATOM 970 C CYS A 64 1.395 6.000 -4.913 1.00 0.00 C ATOM 971 O CYS A 64 0.413 5.933 -5.626 1.00 0.00 O ATOM 972 CB CYS A 64 0.365 4.966 -2.842 1.00 0.00 C ATOM 973 SG CYS A 64 1.441 3.617 -2.285 1.00 0.00 S ATOM 0 H CYS A 64 -0.524 7.283 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 64 2.215 6.064 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.249 5.323 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.317 4.609 -3.614 1.00 0.00 H new ATOM 978 N PRO A 65 2.622 6.055 -5.383 1.00 0.00 N ATOM 979 CA PRO A 65 2.863 6.034 -6.851 1.00 0.00 C ATOM 980 C PRO A 65 2.495 4.691 -7.488 1.00 0.00 C ATOM 981 O PRO A 65 2.032 4.647 -8.614 1.00 0.00 O ATOM 982 CB PRO A 65 4.369 6.289 -6.964 1.00 0.00 C ATOM 983 CG PRO A 65 4.934 5.842 -5.653 1.00 0.00 C ATOM 984 CD PRO A 65 3.880 6.119 -4.622 1.00 0.00 C ATOM 0 HA PRO A 65 2.251 6.768 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.803 5.730 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.579 7.343 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.183 4.781 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.854 6.380 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.901 5.381 -3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.019 7.096 -4.160 1.00 0.00 H new ATOM 992 N ILE A 66 2.698 3.602 -6.793 1.00 0.00 N ATOM 993 CA ILE A 66 2.356 2.273 -7.390 1.00 0.00 C ATOM 994 C ILE A 66 0.845 2.045 -7.414 1.00 0.00 C ATOM 995 O ILE A 66 0.299 1.614 -8.415 1.00 0.00 O ATOM 996 CB ILE A 66 3.064 1.221 -6.540 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.574 1.527 -6.480 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.843 -0.159 -7.171 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.179 1.510 -7.892 1.00 0.00 C ATOM 0 H ILE A 66 3.081 3.573 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 66 2.683 2.218 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 66 2.660 1.234 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.736 2.501 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.076 0.790 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.345 -0.918 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.775 -0.375 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.251 -0.167 -8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.245 1.728 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.033 0.526 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.688 2.264 -8.507 1.00 0.00 H new ATOM 1011 N CYS A 67 0.157 2.335 -6.337 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.323 2.137 -6.337 1.00 0.00 C ATOM 1013 C CYS A 67 -1.959 3.059 -7.381 1.00 0.00 C ATOM 1014 O CYS A 67 -3.072 2.840 -7.817 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.813 2.486 -4.928 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.183 1.270 -3.742 1.00 0.00 S ATOM 0 H CYS A 67 0.551 2.696 -5.468 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.595 1.112 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.476 3.485 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.903 2.500 -4.905 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.252 4.092 -7.798 1.00 0.00 N ATOM 1022 CA LYS A 68 -1.800 5.034 -8.825 1.00 0.00 C ATOM 1023 C LYS A 68 -3.138 5.603 -8.366 1.00 0.00 C ATOM 1024 O LYS A 68 -3.969 5.978 -9.172 1.00 0.00 O ATOM 1025 CB LYS A 68 -1.984 4.194 -10.092 1.00 0.00 C ATOM 1026 CG LYS A 68 -1.565 5.008 -11.314 1.00 0.00 C ATOM 1027 CD LYS A 68 -1.602 4.114 -12.552 1.00 0.00 C ATOM 1028 CE LYS A 68 -1.200 4.932 -13.779 1.00 0.00 C ATOM 1029 NZ LYS A 68 -1.272 3.976 -14.917 1.00 0.00 N ATOM 0 H LYS A 68 -0.315 4.320 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.135 5.881 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.387 3.284 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.025 3.886 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.234 5.859 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.562 5.410 -11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.924 3.270 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.602 3.702 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.873 5.776 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.196 5.341 -13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.009 4.464 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.616 3.187 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.241 3.608 -15.001 1.00 0.00 H new ATOM 1043 N MET A 69 -3.351 5.672 -7.079 1.00 0.00 N ATOM 1044 CA MET A 69 -4.643 6.221 -6.575 1.00 0.00 C ATOM 1045 C MET A 69 -4.404 7.288 -5.493 1.00 0.00 C ATOM 1046 O MET A 69 -3.454 7.200 -4.739 1.00 0.00 O ATOM 1047 CB MET A 69 -5.405 5.028 -6.009 1.00 0.00 C ATOM 1048 CG MET A 69 -6.019 4.236 -7.163 1.00 0.00 C ATOM 1049 SD MET A 69 -7.087 2.934 -6.502 1.00 0.00 S ATOM 1050 CE MET A 69 -8.563 3.952 -6.263 1.00 0.00 C ATOM 0 H MET A 69 -2.692 5.374 -6.360 1.00 0.00 H new ATOM 0 HA MET A 69 -5.205 6.713 -7.369 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.734 4.392 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.186 5.368 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.594 4.900 -7.808 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.232 3.798 -7.777 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.017 3.714 -5.301 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.285 5.006 -6.282 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.277 3.750 -7.061 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.275 8.277 -5.461 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.144 9.374 -4.475 1.00 0.00 C ATOM 1062 C PRO A 70 -5.696 8.957 -3.109 1.00 0.00 C ATOM 1063 O PRO A 70 -6.526 8.075 -3.006 1.00 0.00 O ATOM 1064 CB PRO A 70 -5.990 10.493 -5.071 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.006 9.810 -5.935 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.452 8.466 -6.327 1.00 0.00 C ATOM 0 HA PRO A 70 -4.107 9.662 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.471 11.080 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.377 11.180 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.947 9.693 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.218 10.409 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.187 7.675 -6.174 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.175 8.444 -7.381 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.250 9.606 -2.065 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.752 9.280 -0.698 1.00 0.00 C ATOM 1076 C LEU A 71 -6.494 10.489 -0.118 1.00 0.00 C ATOM 1077 O LEU A 71 -5.890 11.339 0.503 1.00 0.00 O ATOM 1078 CB LEU A 71 -4.505 8.972 0.120 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.911 7.653 -0.358 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -2.883 7.931 -1.453 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.238 6.952 0.820 1.00 0.00 C ATOM 0 H LEU A 71 -4.555 10.352 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.450 8.443 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.776 9.775 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.755 8.910 1.179 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.698 7.013 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.455 6.990 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.368 8.437 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.091 8.565 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.811 6.007 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.447 7.587 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.976 6.761 1.599 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.786 10.535 -0.347 1.00 0.00 N ATOM 1094 CA PRO A 72 -8.599 11.670 0.160 1.00 0.00 C ATOM 1095 C PRO A 72 -8.705 11.625 1.685 1.00 0.00 C ATOM 1096 O PRO A 72 -8.521 10.592 2.302 1.00 0.00 O ATOM 1097 CB PRO A 72 -9.964 11.452 -0.491 1.00 0.00 C ATOM 1098 CG PRO A 72 -10.020 9.986 -0.769 1.00 0.00 C ATOM 1099 CD PRO A 72 -8.613 9.560 -1.081 1.00 0.00 C ATOM 0 HA PRO A 72 -8.168 12.642 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.773 11.761 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.063 12.033 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.409 9.442 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.685 9.775 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.420 8.540 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.413 9.590 -2.152 1.00 0.00 H new ATOM 1107 N THR A 73 -9.002 12.744 2.293 1.00 0.00 N ATOM 1108 CA THR A 73 -9.127 12.790 3.781 1.00 0.00 C ATOM 1109 C THR A 73 -10.472 12.197 4.206 1.00 0.00 C ATOM 1110 O THR A 73 -11.349 11.986 3.390 1.00 0.00 O ATOM 1111 CB THR A 73 -9.057 14.276 4.144 1.00 0.00 C ATOM 1112 OG1 THR A 73 -10.134 14.963 3.520 1.00 0.00 O ATOM 1113 CG2 THR A 73 -7.726 14.864 3.666 1.00 0.00 C ATOM 0 H THR A 73 -9.164 13.633 1.820 1.00 0.00 H new ATOM 0 HA THR A 73 -8.347 12.216 4.281 1.00 0.00 H new ATOM 0 HB THR A 73 -9.129 14.389 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.093 15.914 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.681 15.921 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.902 14.336 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.647 14.753 2.585 1.00 0.00 H new ATOM 1121 N LYS A 74 -10.638 11.925 5.475 1.00 0.00 N ATOM 1122 CA LYS A 74 -11.928 11.341 5.954 1.00 0.00 C ATOM 1123 C LYS A 74 -13.032 12.402 5.917 1.00 0.00 C ATOM 1124 O LYS A 74 -12.850 13.516 6.373 1.00 0.00 O ATOM 1125 CB LYS A 74 -11.659 10.893 7.394 1.00 0.00 C ATOM 1126 CG LYS A 74 -12.911 10.227 7.966 1.00 0.00 C ATOM 1127 CD LYS A 74 -13.148 8.893 7.257 1.00 0.00 C ATOM 1128 CE LYS A 74 -14.315 8.162 7.924 1.00 0.00 C ATOM 1129 NZ LYS A 74 -14.469 6.900 7.149 1.00 0.00 N ATOM 0 H LYS A 74 -9.937 12.082 6.200 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.261 10.512 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.821 10.197 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.379 11.750 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.793 10.066 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.775 10.879 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.366 9.063 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.248 8.280 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.105 7.958 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.226 8.759 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.252 6.342 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.675 7.126 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.589 6.349 7.204 1.00 0.00 H new ATOM 1143 N LEU A 75 -14.175 12.060 5.380 1.00 0.00 N ATOM 1144 CA LEU A 75 -15.301 13.039 5.308 1.00 0.00 C ATOM 1145 C LEU A 75 -16.143 12.964 6.580 1.00 0.00 C ATOM 1146 O LEU A 75 -16.458 11.893 7.063 1.00 0.00 O ATOM 1147 CB LEU A 75 -16.125 12.615 4.094 1.00 0.00 C ATOM 1148 CG LEU A 75 -15.474 13.157 2.822 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -14.367 12.203 2.366 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -16.532 13.277 1.723 1.00 0.00 C ATOM 0 H LEU A 75 -14.378 11.141 4.987 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.948 14.066 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.190 11.528 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.144 12.992 4.183 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.044 14.138 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.904 12.591 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.615 12.118 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.794 11.221 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.070 13.663 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.961 12.295 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.319 13.958 2.048 1.00 0.00 H new ATOM 1162 N ARG A 76 -16.508 14.096 7.126 1.00 0.00 N ATOM 1163 CA ARG A 76 -17.330 14.094 8.373 1.00 0.00 C ATOM 1164 C ARG A 76 -18.675 13.385 8.125 1.00 0.00 C ATOM 1165 O ARG A 76 -19.351 13.680 7.158 1.00 0.00 O ATOM 1166 CB ARG A 76 -17.555 15.565 8.723 1.00 0.00 C ATOM 1167 CG ARG A 76 -18.065 15.668 10.162 1.00 0.00 C ATOM 1168 CD ARG A 76 -17.651 17.014 10.755 1.00 0.00 C ATOM 1169 NE ARG A 76 -17.391 16.729 12.199 1.00 0.00 N ATOM 1170 CZ ARG A 76 -16.224 16.267 12.601 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -15.366 15.755 11.752 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -15.921 16.312 13.869 1.00 0.00 N ATOM 0 H ARG A 76 -16.273 15.020 6.763 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.833 13.562 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.625 16.124 8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -18.276 16.008 8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -19.150 15.568 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.659 14.854 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.761 17.407 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -18.438 17.759 10.634 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.128 16.895 12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.596 15.709 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.468 15.403 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.585 16.702 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.021 15.957 14.191 1.00 0.00 H new ATOM 1186 N PRO A 77 -19.027 12.467 9.002 1.00 0.00 N ATOM 1187 CA PRO A 77 -20.302 11.728 8.848 1.00 0.00 C ATOM 1188 C PRO A 77 -21.483 12.621 9.234 1.00 0.00 C ATOM 1189 O PRO A 77 -21.330 13.577 9.970 1.00 0.00 O ATOM 1190 CB PRO A 77 -20.162 10.559 9.819 1.00 0.00 C ATOM 1191 CG PRO A 77 -19.195 11.028 10.858 1.00 0.00 C ATOM 1192 CD PRO A 77 -18.292 12.039 10.205 1.00 0.00 C ATOM 0 HA PRO A 77 -20.488 11.402 7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -21.123 10.299 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -19.794 9.667 9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.723 11.473 11.702 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -18.616 10.192 11.249 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -18.093 12.880 10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.328 11.602 9.946 1.00 0.00 H new ATOM 1200 N SER A 78 -22.663 12.317 8.747 1.00 0.00 N ATOM 1201 CA SER A 78 -23.869 13.146 9.087 1.00 0.00 C ATOM 1202 C SER A 78 -23.604 14.627 8.790 1.00 0.00 C ATOM 1203 O SER A 78 -24.153 15.505 9.431 1.00 0.00 O ATOM 1204 CB SER A 78 -24.100 12.931 10.586 1.00 0.00 C ATOM 1205 OG SER A 78 -23.864 11.566 10.909 1.00 0.00 O ATOM 0 H SER A 78 -22.845 11.528 8.126 1.00 0.00 H new ATOM 0 HA SER A 78 -24.739 12.857 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 78 -23.435 13.573 11.164 1.00 0.00 H new ATOM 0 HB3 SER A 78 -25.120 13.208 10.851 1.00 0.00 H new ATOM 0 HG SER A 78 -24.010 11.427 11.868 1.00 0.00 H new ATOM 1211 N ALA A 79 -22.763 14.903 7.826 1.00 0.00 N ATOM 1212 CA ALA A 79 -22.453 16.323 7.479 1.00 0.00 C ATOM 1213 C ALA A 79 -23.638 16.951 6.743 1.00 0.00 C ATOM 1214 O ALA A 79 -23.598 17.158 5.544 1.00 0.00 O ATOM 1215 CB ALA A 79 -21.229 16.255 6.564 1.00 0.00 C ATOM 0 H ALA A 79 -22.277 14.205 7.263 1.00 0.00 H new ATOM 0 HA ALA A 79 -22.263 16.932 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.941 17.263 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.403 15.784 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -21.470 15.670 5.677 1.00 0.00 H new ATOM 1221 N ALA A 80 -24.690 17.258 7.455 1.00 0.00 N ATOM 1222 CA ALA A 80 -25.883 17.876 6.806 1.00 0.00 C ATOM 1223 C ALA A 80 -26.846 18.412 7.875 1.00 0.00 C ATOM 1224 O ALA A 80 -27.736 17.708 8.311 1.00 0.00 O ATOM 1225 CB ALA A 80 -26.532 16.752 6.001 1.00 0.00 C ATOM 0 H ALA A 80 -24.774 17.107 8.460 1.00 0.00 H new ATOM 0 HA ALA A 80 -25.617 18.720 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -27.419 17.133 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.824 16.378 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -26.817 15.942 6.672 1.00 0.00 H new ATOM 1231 N PRO A 81 -26.635 19.649 8.269 1.00 0.00 N ATOM 1232 CA PRO A 81 -27.501 20.271 9.300 1.00 0.00 C ATOM 1233 C PRO A 81 -28.874 20.606 8.710 1.00 0.00 C ATOM 1234 O PRO A 81 -28.988 20.984 7.559 1.00 0.00 O ATOM 1235 CB PRO A 81 -26.746 21.540 9.685 1.00 0.00 C ATOM 1236 CG PRO A 81 -25.910 21.873 8.491 1.00 0.00 C ATOM 1237 CD PRO A 81 -25.592 20.577 7.797 1.00 0.00 C ATOM 0 HA PRO A 81 -27.689 19.620 10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -27.434 22.351 9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.127 21.378 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -26.445 22.547 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -24.995 22.383 8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -25.619 20.689 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -24.595 20.221 8.056 1.00 0.00 H new ATOM 1245 N THR A 82 -29.913 20.476 9.494 1.00 0.00 N ATOM 1246 CA THR A 82 -31.281 20.794 8.987 1.00 0.00 C ATOM 1247 C THR A 82 -31.585 22.272 9.212 1.00 0.00 C ATOM 1248 O THR A 82 -30.912 22.939 9.975 1.00 0.00 O ATOM 1249 CB THR A 82 -32.225 19.917 9.808 1.00 0.00 C ATOM 1250 OG1 THR A 82 -31.943 20.084 11.191 1.00 0.00 O ATOM 1251 CG2 THR A 82 -32.025 18.454 9.416 1.00 0.00 C ATOM 0 H THR A 82 -29.873 20.163 10.464 1.00 0.00 H new ATOM 0 HA THR A 82 -31.384 20.604 7.919 1.00 0.00 H new ATOM 0 HB THR A 82 -33.257 20.207 9.613 1.00 0.00 H new ATOM 0 HG1 THR A 82 -32.549 19.523 11.719 1.00 0.00 H new ATOM 0 HG21 THR A 82 -32.697 17.826 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 82 -32.241 18.329 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 82 -30.993 18.162 9.613 1.00 0.00 H new ATOM 1259 N ALA A 83 -32.593 22.788 8.560 1.00 0.00 N ATOM 1260 CA ALA A 83 -32.936 24.227 8.746 1.00 0.00 C ATOM 1261 C ALA A 83 -34.458 24.432 8.692 1.00 0.00 C ATOM 1262 O ALA A 83 -35.135 23.797 7.908 1.00 0.00 O ATOM 1263 CB ALA A 83 -32.251 24.958 7.594 1.00 0.00 C ATOM 0 H ALA A 83 -33.191 22.278 7.910 1.00 0.00 H new ATOM 0 HA ALA A 83 -32.606 24.601 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -32.459 26.026 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -31.175 24.794 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -32.629 24.577 6.645 1.00 0.00 H new ATOM 1269 N PRO A 84 -34.955 25.315 9.532 1.00 0.00 N ATOM 1270 CA PRO A 84 -36.409 25.585 9.562 1.00 0.00 C ATOM 1271 C PRO A 84 -36.811 26.493 8.388 1.00 0.00 C ATOM 1272 O PRO A 84 -36.013 27.278 7.918 1.00 0.00 O ATOM 1273 CB PRO A 84 -36.615 26.306 10.888 1.00 0.00 C ATOM 1274 CG PRO A 84 -35.297 26.946 11.196 1.00 0.00 C ATOM 1275 CD PRO A 84 -34.229 26.131 10.521 1.00 0.00 C ATOM 0 HA PRO A 84 -37.011 24.681 9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -37.407 27.052 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -36.908 25.609 11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -35.278 27.975 10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -35.130 26.980 12.273 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -33.487 26.769 10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -33.696 25.505 11.237 1.00 0.00 H new ATOM 1283 N PRO A 85 -38.044 26.358 7.951 1.00 0.00 N ATOM 1284 CA PRO A 85 -38.541 27.184 6.825 1.00 0.00 C ATOM 1285 C PRO A 85 -38.791 28.622 7.286 1.00 0.00 C ATOM 1286 O PRO A 85 -38.968 28.882 8.462 1.00 0.00 O ATOM 1287 CB PRO A 85 -39.848 26.506 6.430 1.00 0.00 C ATOM 1288 CG PRO A 85 -40.311 25.806 7.667 1.00 0.00 C ATOM 1289 CD PRO A 85 -39.082 25.441 8.455 1.00 0.00 C ATOM 0 HA PRO A 85 -37.834 27.248 5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -40.584 27.235 6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -39.696 25.802 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -40.966 26.451 8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -40.885 24.915 7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -39.242 25.570 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -38.803 24.399 8.298 1.00 0.00 H new ATOM 1297 N THR A 86 -38.810 29.552 6.369 1.00 0.00 N ATOM 1298 CA THR A 86 -39.053 30.977 6.745 1.00 0.00 C ATOM 1299 C THR A 86 -39.915 31.659 5.678 1.00 0.00 C ATOM 1300 O THR A 86 -39.902 31.277 4.522 1.00 0.00 O ATOM 1301 CB THR A 86 -37.661 31.620 6.815 1.00 0.00 C ATOM 1302 OG1 THR A 86 -37.797 33.002 7.115 1.00 0.00 O ATOM 1303 CG2 THR A 86 -36.940 31.462 5.472 1.00 0.00 C ATOM 0 H THR A 86 -38.667 29.387 5.373 1.00 0.00 H new ATOM 0 HA THR A 86 -39.585 31.071 7.692 1.00 0.00 H new ATOM 0 HB THR A 86 -37.079 31.127 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 86 -36.910 33.415 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 86 -35.953 31.922 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 86 -36.833 30.403 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 86 -37.520 31.949 4.688 1.00 0.00 H new ATOM 1311 N GLY A 87 -40.663 32.663 6.057 1.00 0.00 N ATOM 1312 CA GLY A 87 -41.529 33.374 5.071 1.00 0.00 C ATOM 1313 C GLY A 87 -40.824 34.647 4.605 1.00 0.00 C ATOM 1314 O GLY A 87 -39.754 34.982 5.079 1.00 0.00 O ATOM 0 H GLY A 87 -40.711 33.022 7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -41.737 32.727 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -42.489 33.621 5.525 1.00 0.00 H new ATOM 1318 N ALA A 88 -41.417 35.359 3.683 1.00 0.00 N ATOM 1319 CA ALA A 88 -40.787 36.616 3.182 1.00 0.00 C ATOM 1320 C ALA A 88 -41.862 37.667 2.900 1.00 0.00 C ATOM 1321 O ALA A 88 -42.954 37.350 2.465 1.00 0.00 O ATOM 1322 CB ALA A 88 -40.074 36.214 1.892 1.00 0.00 C ATOM 0 H ALA A 88 -42.312 35.124 3.255 1.00 0.00 H new ATOM 0 HA ALA A 88 -40.099 37.053 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -39.584 37.087 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -39.328 35.450 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -40.801 35.818 1.183 1.00 0.00 H new ATOM 1328 N ALA A 89 -41.561 38.916 3.146 1.00 0.00 N ATOM 1329 CA ALA A 89 -42.560 39.997 2.896 1.00 0.00 C ATOM 1330 C ALA A 89 -42.144 40.832 1.684 1.00 0.00 C ATOM 1331 O ALA A 89 -41.503 41.858 1.818 1.00 0.00 O ATOM 1332 CB ALA A 89 -42.549 40.851 4.164 1.00 0.00 C ATOM 0 H ALA A 89 -40.663 39.234 3.511 1.00 0.00 H new ATOM 0 HA ALA A 89 -43.552 39.599 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -43.261 41.670 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -42.829 40.236 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -41.550 41.257 4.321 1.00 0.00 H new ATOM 1338 N ASP A 90 -42.507 40.401 0.505 1.00 0.00 N ATOM 1339 CA ASP A 90 -42.141 41.167 -0.723 1.00 0.00 C ATOM 1340 C ASP A 90 -43.315 42.044 -1.166 1.00 0.00 C ATOM 1341 O ASP A 90 -44.351 41.549 -1.566 1.00 0.00 O ATOM 1342 CB ASP A 90 -41.837 40.107 -1.783 1.00 0.00 C ATOM 1343 CG ASP A 90 -41.099 40.756 -2.960 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -40.390 41.723 -2.734 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -41.254 40.270 -4.069 1.00 0.00 O ATOM 0 H ASP A 90 -43.043 39.549 0.339 1.00 0.00 H new ATOM 0 HA ASP A 90 -41.291 41.829 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -41.228 39.312 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -42.763 39.648 -2.129 1.00 0.00 H new ATOM 1350 N SER A 91 -43.156 43.339 -1.100 1.00 0.00 N ATOM 1351 CA SER A 91 -44.257 44.256 -1.519 1.00 0.00 C ATOM 1352 C SER A 91 -43.878 44.968 -2.819 1.00 0.00 C ATOM 1353 O SER A 91 -42.844 45.601 -2.910 1.00 0.00 O ATOM 1354 CB SER A 91 -44.393 45.261 -0.377 1.00 0.00 C ATOM 1355 OG SER A 91 -45.244 46.324 -0.784 1.00 0.00 O ATOM 0 H SER A 91 -42.309 43.803 -0.773 1.00 0.00 H new ATOM 0 HA SER A 91 -45.191 43.725 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 91 -44.802 44.771 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 91 -43.413 45.650 -0.101 1.00 0.00 H new ATOM 0 HG SER A 91 -45.334 46.969 -0.052 1.00 0.00 H new ATOM 1361 N ILE A 92 -44.710 44.864 -3.824 1.00 0.00 N ATOM 1362 CA ILE A 92 -44.404 45.533 -5.124 1.00 0.00 C ATOM 1363 C ILE A 92 -45.481 46.574 -5.437 1.00 0.00 C ATOM 1364 O ILE A 92 -46.662 46.285 -5.412 1.00 0.00 O ATOM 1365 CB ILE A 92 -44.418 44.409 -6.167 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -43.339 43.380 -5.820 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -44.127 44.990 -7.555 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -43.513 42.140 -6.699 1.00 0.00 C ATOM 0 H ILE A 92 -45.588 44.345 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 92 -43.447 46.055 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 92 -45.398 43.932 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -42.349 43.810 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -43.409 43.105 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -44.138 44.189 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -44.889 45.727 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -43.147 45.468 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -42.744 41.408 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -44.497 41.706 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -43.421 42.422 -7.748 1.00 0.00 H new ATOM 1380 N ARG A 93 -45.078 47.779 -5.737 1.00 0.00 N ATOM 1381 CA ARG A 93 -46.071 48.843 -6.059 1.00 0.00 C ATOM 1382 C ARG A 93 -45.463 49.847 -7.047 1.00 0.00 C ATOM 1383 O ARG A 93 -45.049 50.922 -6.657 1.00 0.00 O ATOM 1384 CB ARG A 93 -46.387 49.512 -4.725 1.00 0.00 C ATOM 1385 CG ARG A 93 -47.665 50.336 -4.867 1.00 0.00 C ATOM 1386 CD ARG A 93 -47.595 51.545 -3.935 1.00 0.00 C ATOM 1387 NE ARG A 93 -46.738 52.530 -4.652 1.00 0.00 N ATOM 1388 CZ ARG A 93 -45.804 53.171 -4.006 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -46.108 53.890 -2.960 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -44.563 53.094 -4.405 1.00 0.00 N ATOM 0 H ARG A 93 -44.102 48.073 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 93 -46.970 48.444 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -46.510 48.759 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -45.559 50.152 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -47.786 50.665 -5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -48.534 49.725 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -48.587 51.952 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -47.166 51.276 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 93 -46.882 52.703 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -47.077 53.951 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -45.377 54.391 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -44.324 52.532 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -43.833 53.596 -3.899 1.00 0.00 H new ATOM 1404 N PRO A 94 -45.425 49.465 -8.303 1.00 0.00 N ATOM 1405 CA PRO A 94 -44.855 50.352 -9.341 1.00 0.00 C ATOM 1406 C PRO A 94 -45.806 51.520 -9.635 1.00 0.00 C ATOM 1407 O PRO A 94 -46.927 51.535 -9.169 1.00 0.00 O ATOM 1408 CB PRO A 94 -44.726 49.451 -10.563 1.00 0.00 C ATOM 1409 CG PRO A 94 -45.747 48.377 -10.359 1.00 0.00 C ATOM 1410 CD PRO A 94 -45.899 48.192 -8.875 1.00 0.00 C ATOM 0 HA PRO A 94 -43.906 50.795 -9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -44.913 50.004 -11.483 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -43.723 49.032 -10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -46.698 48.658 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -45.430 47.448 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -46.936 47.994 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -45.308 47.349 -8.516 1.00 0.00 H new ATOM 1418 N PRO A 95 -45.326 52.469 -10.404 1.00 0.00 N ATOM 1419 CA PRO A 95 -46.154 53.645 -10.753 1.00 0.00 C ATOM 1420 C PRO A 95 -47.228 53.270 -11.786 1.00 0.00 C ATOM 1421 O PRO A 95 -47.193 52.193 -12.347 1.00 0.00 O ATOM 1422 CB PRO A 95 -45.156 54.627 -11.358 1.00 0.00 C ATOM 1423 CG PRO A 95 -44.042 53.776 -11.876 1.00 0.00 C ATOM 1424 CD PRO A 95 -43.986 52.546 -11.013 1.00 0.00 C ATOM 0 HA PRO A 95 -46.685 54.053 -9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -45.612 55.210 -12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -44.797 55.335 -10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -44.215 53.508 -12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -43.096 54.316 -11.839 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -43.765 51.656 -11.602 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -43.208 52.627 -10.254 1.00 0.00 H new ATOM 1432 N PRO A 96 -48.150 54.180 -12.009 1.00 0.00 N ATOM 1433 CA PRO A 96 -49.235 53.935 -12.990 1.00 0.00 C ATOM 1434 C PRO A 96 -48.681 53.999 -14.415 1.00 0.00 C ATOM 1435 O PRO A 96 -47.693 54.661 -14.674 1.00 0.00 O ATOM 1436 CB PRO A 96 -50.217 55.074 -12.733 1.00 0.00 C ATOM 1437 CG PRO A 96 -49.391 56.169 -12.138 1.00 0.00 C ATOM 1438 CD PRO A 96 -48.271 55.509 -11.382 1.00 0.00 C ATOM 0 HA PRO A 96 -49.698 52.954 -12.886 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -50.696 55.398 -13.657 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -51.011 54.765 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -48.999 56.823 -12.916 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -49.993 56.789 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -47.344 56.076 -11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -48.500 55.429 -10.319 1.00 0.00 H new ATOM 1446 N TYR A 97 -49.309 53.321 -15.339 1.00 0.00 N ATOM 1447 CA TYR A 97 -48.821 53.344 -16.749 1.00 0.00 C ATOM 1448 C TYR A 97 -49.993 53.558 -17.705 1.00 0.00 C ATOM 1449 O TYR A 97 -51.110 53.163 -17.429 1.00 0.00 O ATOM 1450 CB TYR A 97 -48.184 51.972 -16.976 1.00 0.00 C ATOM 1451 CG TYR A 97 -47.584 51.916 -18.362 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -46.317 52.464 -18.599 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -48.295 51.317 -19.408 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -45.762 52.412 -19.883 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -47.740 51.264 -20.692 1.00 0.00 C ATOM 1456 CZ TYR A 97 -46.473 51.813 -20.930 1.00 0.00 C ATOM 1457 OH TYR A 97 -45.925 51.760 -22.194 1.00 0.00 O ATOM 0 H TYR A 97 -50.140 52.752 -15.178 1.00 0.00 H new ATOM 0 HA TYR A 97 -48.112 54.152 -16.928 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -47.413 51.789 -16.227 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -48.933 51.188 -16.861 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -45.769 52.926 -17.792 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -49.272 50.895 -19.225 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -44.785 52.834 -20.066 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -48.288 50.800 -21.499 1.00 0.00 H new ATOM 0 HH TYR A 97 -46.548 51.311 -22.802 1.00 0.00 H new ATOM 1467 N SER A 98 -49.745 54.180 -18.828 1.00 0.00 N ATOM 1468 CA SER A 98 -50.842 54.423 -19.807 1.00 0.00 C ATOM 1469 C SER A 98 -50.343 54.219 -21.244 1.00 0.00 C ATOM 1470 O SER A 98 -49.159 54.313 -21.506 1.00 0.00 O ATOM 1471 CB SER A 98 -51.265 55.874 -19.589 1.00 0.00 C ATOM 1472 OG SER A 98 -52.293 55.920 -18.610 1.00 0.00 O ATOM 0 H SER A 98 -48.829 54.530 -19.108 1.00 0.00 H new ATOM 0 HA SER A 98 -51.672 53.731 -19.663 1.00 0.00 H new ATOM 0 HB2 SER A 98 -50.411 56.469 -19.265 1.00 0.00 H new ATOM 0 HB3 SER A 98 -51.618 56.307 -20.525 1.00 0.00 H new ATOM 0 HG SER A 98 -52.190 55.166 -17.992 1.00 0.00 H new ATOM 1478 N PRO A 99 -51.268 53.943 -22.138 1.00 0.00 N ATOM 1479 CA PRO A 99 -50.906 53.725 -23.559 1.00 0.00 C ATOM 1480 C PRO A 99 -50.591 55.061 -24.239 1.00 0.00 C ATOM 1481 O PRO A 99 -50.793 56.086 -23.610 1.00 0.00 O ATOM 1482 CB PRO A 99 -52.162 53.098 -24.157 1.00 0.00 C ATOM 1483 CG PRO A 99 -53.285 53.561 -23.285 1.00 0.00 C ATOM 1484 CD PRO A 99 -52.718 53.807 -21.915 1.00 0.00 C ATOM 1485 OXT PRO A 99 -50.153 55.035 -25.378 1.00 0.00 O ATOM 0 HA PRO A 99 -50.021 53.101 -23.685 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -52.308 53.417 -25.189 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -52.093 52.010 -24.166 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -53.731 54.472 -23.685 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -54.074 52.810 -23.245 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -53.137 54.708 -21.467 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -52.940 52.982 -21.239 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.170 -2.439 -1.949 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.802 1.417 -2.577 1.00 0.00 ZN