USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 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 25 GLN : amide:sc= 0.236 K(o=-3.2,f=-4.9) USER MOD Set 1.2: A 88 GLN : amide:sc= -3.45! C(o=-3.2!,f=-5.8!) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.456 K(o=0.063,f=-4.2!) USER MOD Set 2.2: A 17 HIS : no HE2:sc= 0.519 K(o=0.063,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.136) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0598 (180deg=-0.319) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0688 (180deg=-0.471) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.466 K(o=-0.47,f=-3!) USER MOD Single : A 19 ASN : amide:sc= -3.31! C(o=-3.3!,f=-8.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 114:sc= 1.29 USER MOD Single : A 31 GLN : amide:sc= -5.99! C(o=-6!,f=-11!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= -0.888! (180deg=-0.937!) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0684) USER MOD Single : A 37 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.068) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -144:sc= -0.877 (180deg=-2.74) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 0.327 (180deg=-0.152) USER MOD Single : A 47 TYR OH : rot 0:sc= 1.24 USER MOD Single : A 48 CYS SG : rot 153:sc= -6.2! USER MOD Single : A 51 GLN : amide:sc= -3.42 K(o=-3.4,f=-6.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 173:sc= -1.74 (180deg=-1.91) USER MOD Single : A 57 GLN : amide:sc= -5.98! K(o=-6!,f=-0.58) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.018) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.988 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.43) USER MOD Single : A 78 MET CE :methyl 161:sc= -0.103 (180deg=-0.9) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.21! C(o=-3.2!,f=-6.2!) USER MOD Single : A 90 GLN : amide:sc= -1.93! X(o=-1.9!,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.972 0.302 16.574 1.00 0.00 N ATOM 2 CA MET A 1 -16.301 -0.839 17.236 1.00 0.00 C ATOM 3 C MET A 1 -14.778 -0.670 17.194 1.00 0.00 C ATOM 4 O MET A 1 -14.029 -1.654 17.173 1.00 0.00 O ATOM 5 CB MET A 1 -16.695 -2.156 16.544 1.00 0.00 C ATOM 6 CG MET A 1 -16.213 -2.271 15.102 1.00 0.00 C ATOM 7 SD MET A 1 -16.578 -3.875 14.360 1.00 0.00 S ATOM 8 CE MET A 1 -15.772 -3.693 12.770 1.00 0.00 C ATOM 0 H1 MET A 1 -17.987 0.099 16.477 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.844 1.160 17.147 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.557 0.450 15.632 1.00 0.00 H new ATOM 0 HA MET A 1 -16.621 -0.868 18.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.292 -2.990 17.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.781 -2.252 16.562 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.679 -1.487 14.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.137 -2.099 15.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.906 -4.605 12.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.211 -2.852 12.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.708 -3.512 12.920 1.00 0.00 H new ATOM 18 N ALA A 2 -14.305 0.572 17.218 1.00 0.00 N ATOM 19 CA ALA A 2 -12.877 0.836 17.095 1.00 0.00 C ATOM 20 C ALA A 2 -12.246 1.264 18.421 1.00 0.00 C ATOM 21 O ALA A 2 -11.135 1.783 18.450 1.00 0.00 O ATOM 22 CB ALA A 2 -12.631 1.892 16.026 1.00 0.00 C ATOM 0 H ALA A 2 -14.885 1.405 17.321 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.399 -0.098 16.801 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.561 2.082 15.942 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.013 1.537 15.069 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.143 2.814 16.301 1.00 0.00 H new ATOM 28 N ASP A 3 -12.935 1.037 19.528 1.00 0.00 N ATOM 29 CA ASP A 3 -12.395 1.406 20.840 1.00 0.00 C ATOM 30 C ASP A 3 -11.858 0.192 21.547 1.00 0.00 C ATOM 31 O ASP A 3 -11.824 0.115 22.777 1.00 0.00 O ATOM 32 CB ASP A 3 -13.438 2.121 21.692 1.00 0.00 C ATOM 33 CG ASP A 3 -13.929 3.407 21.060 1.00 0.00 C ATOM 34 OD1 ASP A 3 -13.137 4.374 20.962 1.00 0.00 O ATOM 35 OD2 ASP A 3 -15.113 3.465 20.654 1.00 0.00 O ATOM 0 H ASP A 3 -13.859 0.605 19.552 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.573 2.104 20.682 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.285 1.455 21.856 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.012 2.342 22.671 1.00 0.00 H new ATOM 40 N GLU A 4 -11.417 -0.751 20.765 1.00 0.00 N ATOM 41 CA GLU A 4 -10.771 -1.935 21.247 1.00 0.00 C ATOM 42 C GLU A 4 -9.415 -1.955 20.604 1.00 0.00 C ATOM 43 O GLU A 4 -9.320 -1.878 19.382 1.00 0.00 O ATOM 44 CB GLU A 4 -11.558 -3.184 20.849 1.00 0.00 C ATOM 45 CG GLU A 4 -12.979 -3.213 21.380 1.00 0.00 C ATOM 46 CD GLU A 4 -13.716 -4.469 20.981 1.00 0.00 C ATOM 47 OE1 GLU A 4 -13.549 -5.504 21.661 1.00 0.00 O ATOM 48 OE2 GLU A 4 -14.475 -4.431 19.990 1.00 0.00 O ATOM 0 H GLU A 4 -11.499 -0.716 19.749 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.705 -1.931 22.335 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.586 -3.252 19.761 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.028 -4.065 21.210 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.960 -3.136 22.467 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.521 -2.343 21.008 1.00 0.00 H new ATOM 55 N LYS A 5 -8.352 -2.047 21.394 1.00 0.00 N ATOM 56 CA LYS A 5 -6.986 -1.954 20.871 1.00 0.00 C ATOM 57 C LYS A 5 -6.686 -0.645 20.112 1.00 0.00 C ATOM 58 O LYS A 5 -6.151 -0.677 19.002 1.00 0.00 O ATOM 59 CB LYS A 5 -6.623 -3.177 20.023 1.00 0.00 C ATOM 60 CG LYS A 5 -6.008 -4.316 20.824 1.00 0.00 C ATOM 61 CD LYS A 5 -6.975 -4.909 21.845 1.00 0.00 C ATOM 62 CE LYS A 5 -8.140 -5.617 21.176 1.00 0.00 C ATOM 63 NZ LYS A 5 -9.028 -6.277 22.166 1.00 0.00 N ATOM 0 H LYS A 5 -8.406 -2.186 22.403 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.345 -1.937 21.753 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.520 -3.540 19.522 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.924 -2.873 19.244 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.682 -5.100 20.141 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.119 -3.953 21.340 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.442 -5.612 22.485 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.354 -4.116 22.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.716 -4.898 20.594 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.759 -6.361 20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.811 -6.749 21.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.485 -6.981 22.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.412 -5.563 22.818 1.00 0.00 H new ATOM 77 N PRO A 6 -7.001 0.530 20.706 1.00 0.00 N ATOM 78 CA PRO A 6 -6.673 1.801 20.108 1.00 0.00 C ATOM 79 C PRO A 6 -5.282 2.262 20.546 1.00 0.00 C ATOM 80 O PRO A 6 -5.043 2.573 21.720 1.00 0.00 O ATOM 81 CB PRO A 6 -7.748 2.729 20.653 1.00 0.00 C ATOM 82 CG PRO A 6 -8.084 2.176 22.003 1.00 0.00 C ATOM 83 CD PRO A 6 -7.701 0.705 21.990 1.00 0.00 C ATOM 0 HA PRO A 6 -6.648 1.770 19.019 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.386 3.755 20.725 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.623 2.745 20.003 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.541 2.709 22.784 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.146 2.296 22.215 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.058 0.453 22.833 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.580 0.063 22.056 1.00 0.00 H new ATOM 91 N LYS A 7 -4.357 2.284 19.615 1.00 0.00 N ATOM 92 CA LYS A 7 -2.977 2.645 19.907 1.00 0.00 C ATOM 93 C LYS A 7 -2.716 4.112 19.600 1.00 0.00 C ATOM 94 O LYS A 7 -1.570 4.547 19.469 1.00 0.00 O ATOM 95 CB LYS A 7 -2.029 1.756 19.110 1.00 0.00 C ATOM 96 CG LYS A 7 -2.146 0.284 19.462 1.00 0.00 C ATOM 97 CD LYS A 7 -1.239 -0.567 18.596 1.00 0.00 C ATOM 98 CE LYS A 7 -1.304 -2.028 19.000 1.00 0.00 C ATOM 99 NZ LYS A 7 -0.837 -2.242 20.393 1.00 0.00 N ATOM 0 H LYS A 7 -4.532 2.054 18.637 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.799 2.492 20.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.230 1.885 18.046 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.004 2.083 19.283 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.891 0.138 20.512 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.179 -0.040 19.337 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.529 -0.463 17.550 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.213 -0.210 18.679 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.329 -2.386 18.902 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.694 -2.620 18.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.639 -3.252 20.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.030 -1.692 20.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.574 -1.932 21.058 1.00 0.00 H new ATOM 113 N GLU A 8 -3.779 4.874 19.504 1.00 0.00 N ATOM 114 CA GLU A 8 -3.686 6.290 19.220 1.00 0.00 C ATOM 115 C GLU A 8 -4.323 7.080 20.358 1.00 0.00 C ATOM 116 O GLU A 8 -4.396 6.592 21.492 1.00 0.00 O ATOM 117 CB GLU A 8 -4.344 6.591 17.869 1.00 0.00 C ATOM 118 CG GLU A 8 -3.710 5.808 16.716 1.00 0.00 C ATOM 119 CD GLU A 8 -4.377 6.041 15.379 1.00 0.00 C ATOM 120 OE1 GLU A 8 -5.596 5.824 15.270 1.00 0.00 O ATOM 121 OE2 GLU A 8 -3.671 6.410 14.415 1.00 0.00 O ATOM 0 H GLU A 8 -4.733 4.532 19.620 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.641 6.593 19.150 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.406 6.351 17.925 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.269 7.659 17.663 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.658 6.082 16.639 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.746 4.744 16.949 1.00 0.00 H new ATOM 128 N GLY A 9 -4.780 8.283 20.082 1.00 0.00 N ATOM 129 CA GLY A 9 -5.367 9.101 21.128 1.00 0.00 C ATOM 130 C GLY A 9 -4.348 9.996 21.791 1.00 0.00 C ATOM 131 O GLY A 9 -4.393 10.241 22.998 1.00 0.00 O ATOM 0 H GLY A 9 -4.759 8.714 19.158 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.164 9.712 20.705 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.824 8.456 21.878 1.00 0.00 H new ATOM 135 N VAL A 10 -3.419 10.482 21.006 1.00 0.00 N ATOM 136 CA VAL A 10 -2.383 11.368 21.495 1.00 0.00 C ATOM 137 C VAL A 10 -2.641 12.772 20.987 1.00 0.00 C ATOM 138 O VAL A 10 -2.638 13.014 19.777 1.00 0.00 O ATOM 139 CB VAL A 10 -0.982 10.908 21.038 1.00 0.00 C ATOM 140 CG1 VAL A 10 0.095 11.833 21.589 1.00 0.00 C ATOM 141 CG2 VAL A 10 -0.728 9.470 21.464 1.00 0.00 C ATOM 0 H VAL A 10 -3.356 10.277 20.009 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.408 11.349 22.585 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.943 10.954 19.950 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.074 11.491 21.255 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.077 12.847 21.229 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.060 11.824 22.678 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.264 9.162 21.134 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.788 9.396 22.550 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.478 8.819 21.014 1.00 0.00 H new ATOM 151 N LYS A 11 -2.877 13.699 21.891 1.00 0.00 N ATOM 152 CA LYS A 11 -3.178 15.051 21.500 1.00 0.00 C ATOM 153 C LYS A 11 -2.113 16.047 21.943 1.00 0.00 C ATOM 154 O LYS A 11 -2.083 16.511 23.082 1.00 0.00 O ATOM 155 CB LYS A 11 -4.587 15.490 21.950 1.00 0.00 C ATOM 156 CG LYS A 11 -4.908 15.273 23.426 1.00 0.00 C ATOM 157 CD LYS A 11 -5.297 13.826 23.719 1.00 0.00 C ATOM 158 CE LYS A 11 -5.888 13.679 25.109 1.00 0.00 C ATOM 159 NZ LYS A 11 -7.162 14.426 25.240 1.00 0.00 N ATOM 0 H LYS A 11 -2.865 13.537 22.898 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.171 15.053 20.410 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.707 16.549 21.723 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.323 14.951 21.354 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.042 15.545 24.029 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.723 15.934 23.721 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.020 13.485 22.977 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.419 13.186 23.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.060 12.624 25.323 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.175 14.042 25.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.711 14.040 26.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.959 15.431 25.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.711 14.332 24.362 1.00 0.00 H new ATOM 173 N THR A 12 -1.223 16.335 21.032 1.00 0.00 N ATOM 174 CA THR A 12 -0.200 17.337 21.201 1.00 0.00 C ATOM 175 C THR A 12 -0.141 18.104 19.905 1.00 0.00 C ATOM 176 O THR A 12 -0.466 19.287 19.827 1.00 0.00 O ATOM 177 CB THR A 12 1.169 16.692 21.501 1.00 0.00 C ATOM 178 OG1 THR A 12 1.030 15.752 22.577 1.00 0.00 O ATOM 179 CG2 THR A 12 2.187 17.747 21.885 1.00 0.00 C ATOM 0 H THR A 12 -1.187 15.867 20.126 1.00 0.00 H new ATOM 0 HA THR A 12 -0.434 17.987 22.044 1.00 0.00 H new ATOM 0 HB THR A 12 1.516 16.182 20.603 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.899 15.341 22.767 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.145 17.270 22.092 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.304 18.455 21.065 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.845 18.276 22.775 1.00 0.00 H new ATOM 187 N GLU A 13 0.273 17.412 18.894 1.00 0.00 N ATOM 188 CA GLU A 13 0.199 17.874 17.538 1.00 0.00 C ATOM 189 C GLU A 13 -0.135 16.684 16.672 1.00 0.00 C ATOM 190 O GLU A 13 0.550 15.659 16.723 1.00 0.00 O ATOM 191 CB GLU A 13 1.504 18.543 17.066 1.00 0.00 C ATOM 192 CG GLU A 13 2.719 17.629 17.031 1.00 0.00 C ATOM 193 CD GLU A 13 3.838 18.191 16.177 1.00 0.00 C ATOM 194 OE1 GLU A 13 4.445 19.206 16.582 1.00 0.00 O ATOM 195 OE2 GLU A 13 4.104 17.631 15.085 1.00 0.00 O ATOM 0 H GLU A 13 0.684 16.483 18.987 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.571 18.642 17.464 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.345 18.950 16.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.721 19.386 17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.083 17.474 18.047 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.425 16.653 16.645 1.00 0.00 H new ATOM 202 N ASN A 14 -1.208 16.760 15.928 1.00 0.00 N ATOM 203 CA ASN A 14 -1.579 15.667 15.068 1.00 0.00 C ATOM 204 C ASN A 14 -0.876 15.781 13.740 1.00 0.00 C ATOM 205 O ASN A 14 -0.033 16.662 13.538 1.00 0.00 O ATOM 206 CB ASN A 14 -3.089 15.614 14.874 1.00 0.00 C ATOM 207 CG ASN A 14 -3.673 16.936 14.480 1.00 0.00 C ATOM 208 OD1 ASN A 14 -3.027 17.761 13.836 1.00 0.00 O ATOM 209 ND2 ASN A 14 -4.888 17.155 14.866 1.00 0.00 N ATOM 0 H ASN A 14 -1.837 17.563 15.900 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.269 14.738 15.546 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.326 14.875 14.109 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.557 15.277 15.799 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.344 18.038 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.390 16.444 15.399 1.00 0.00 H new ATOM 216 N ASN A 15 -1.204 14.908 12.828 1.00 0.00 N ATOM 217 CA ASN A 15 -0.607 14.943 11.521 1.00 0.00 C ATOM 218 C ASN A 15 -1.666 14.854 10.452 1.00 0.00 C ATOM 219 O ASN A 15 -2.819 14.500 10.717 1.00 0.00 O ATOM 220 CB ASN A 15 0.429 13.813 11.341 1.00 0.00 C ATOM 221 CG ASN A 15 -0.131 12.417 11.603 1.00 0.00 C ATOM 222 OD1 ASN A 15 -1.325 12.181 11.499 1.00 0.00 O ATOM 223 ND2 ASN A 15 0.740 11.481 11.912 1.00 0.00 N ATOM 0 H ASN A 15 -1.884 14.161 12.966 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.085 15.895 11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.823 13.852 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.267 13.990 12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.425 10.524 12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.730 11.712 11.991 1.00 0.00 H new ATOM 230 N ASP A 16 -1.289 15.172 9.247 1.00 0.00 N ATOM 231 CA ASP A 16 -2.190 15.062 8.129 1.00 0.00 C ATOM 232 C ASP A 16 -2.113 13.649 7.596 1.00 0.00 C ATOM 233 O ASP A 16 -1.349 13.359 6.681 1.00 0.00 O ATOM 234 CB ASP A 16 -1.844 16.074 7.021 1.00 0.00 C ATOM 235 CG ASP A 16 -1.936 17.517 7.484 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.063 18.059 7.540 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.878 18.116 7.793 1.00 0.00 O ATOM 0 H ASP A 16 -0.357 15.512 9.010 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.203 15.288 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.834 15.878 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.518 15.925 6.178 1.00 0.00 H new ATOM 242 N HIS A 17 -2.866 12.749 8.197 1.00 0.00 N ATOM 243 CA HIS A 17 -2.817 11.346 7.816 1.00 0.00 C ATOM 244 C HIS A 17 -4.185 10.865 7.363 1.00 0.00 C ATOM 245 O HIS A 17 -5.212 11.363 7.817 1.00 0.00 O ATOM 246 CB HIS A 17 -2.297 10.466 8.988 1.00 0.00 C ATOM 247 CG HIS A 17 -3.345 10.071 10.010 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.630 10.814 11.134 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.170 8.994 10.063 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.580 10.215 11.830 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.924 9.114 11.201 1.00 0.00 N ATOM 0 H HIS A 17 -3.519 12.961 8.951 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.121 11.251 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.856 9.559 8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.498 11.004 9.499 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.177 11.692 11.390 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.222 8.192 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.002 10.570 12.758 1.00 0.00 H new ATOM 260 N ILE A 18 -4.198 9.902 6.470 1.00 0.00 N ATOM 261 CA ILE A 18 -5.432 9.320 5.982 1.00 0.00 C ATOM 262 C ILE A 18 -5.327 7.799 5.975 1.00 0.00 C ATOM 263 O ILE A 18 -4.234 7.240 6.121 1.00 0.00 O ATOM 264 CB ILE A 18 -5.778 9.817 4.560 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.558 9.711 3.642 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.301 11.250 4.604 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.863 10.036 2.201 1.00 0.00 C ATOM 0 H ILE A 18 -3.355 9.499 6.060 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.230 9.634 6.655 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.565 9.181 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.782 10.386 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.155 8.700 3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.539 11.582 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.199 11.291 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.539 11.903 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.954 9.941 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.617 9.345 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.238 11.057 2.130 1.00 0.00 H new ATOM 279 N ASN A 19 -6.452 7.123 5.817 1.00 0.00 N ATOM 280 CA ASN A 19 -6.462 5.666 5.817 1.00 0.00 C ATOM 281 C ASN A 19 -6.585 5.144 4.403 1.00 0.00 C ATOM 282 O ASN A 19 -7.580 5.368 3.740 1.00 0.00 O ATOM 283 CB ASN A 19 -7.622 5.112 6.662 1.00 0.00 C ATOM 284 CG ASN A 19 -8.179 6.101 7.665 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.660 6.262 8.763 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.263 6.736 7.307 1.00 0.00 N ATOM 0 H ASN A 19 -7.367 7.555 5.688 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.522 5.332 6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.424 4.795 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.279 4.224 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.706 7.392 7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.666 6.576 6.384 1.00 0.00 H new ATOM 293 N LEU A 20 -5.575 4.464 3.935 1.00 0.00 N ATOM 294 CA LEU A 20 -5.581 3.902 2.601 1.00 0.00 C ATOM 295 C LEU A 20 -5.612 2.401 2.677 1.00 0.00 C ATOM 296 O LEU A 20 -4.783 1.775 3.335 1.00 0.00 O ATOM 297 CB LEU A 20 -4.366 4.378 1.806 1.00 0.00 C ATOM 298 CG LEU A 20 -4.553 5.695 1.043 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.179 6.740 1.913 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.235 6.192 0.516 1.00 0.00 C ATOM 0 H LEU A 20 -4.722 4.280 4.463 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.476 4.245 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.526 4.491 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.093 3.600 1.093 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.221 5.500 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.299 7.662 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.155 6.394 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.539 6.926 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.388 7.127 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.551 6.360 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.810 5.450 -0.160 1.00 0.00 H new ATOM 312 N LYS A 21 -6.569 1.817 2.023 1.00 0.00 N ATOM 313 CA LYS A 21 -6.740 0.393 2.061 1.00 0.00 C ATOM 314 C LYS A 21 -6.290 -0.251 0.767 1.00 0.00 C ATOM 315 O LYS A 21 -6.430 0.313 -0.304 1.00 0.00 O ATOM 316 CB LYS A 21 -8.194 0.056 2.367 1.00 0.00 C ATOM 317 CG LYS A 21 -8.533 -1.421 2.276 1.00 0.00 C ATOM 318 CD LYS A 21 -9.837 -1.716 2.977 1.00 0.00 C ATOM 319 CE LYS A 21 -10.964 -0.843 2.440 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.268 -1.163 3.071 1.00 0.00 N ATOM 0 H LYS A 21 -7.253 2.310 1.449 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.112 -0.011 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.432 0.409 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.834 0.605 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.602 -1.719 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.733 -2.011 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.094 -2.767 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.723 -1.548 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.725 0.206 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.042 -0.976 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.006 -0.545 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.511 -2.157 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.203 -1.012 4.098 1.00 0.00 H new ATOM 334 N VAL A 22 -5.760 -1.441 0.867 1.00 0.00 N ATOM 335 CA VAL A 22 -5.274 -2.156 -0.284 1.00 0.00 C ATOM 336 C VAL A 22 -6.083 -3.422 -0.472 1.00 0.00 C ATOM 337 O VAL A 22 -6.241 -4.208 0.453 1.00 0.00 O ATOM 338 CB VAL A 22 -3.779 -2.514 -0.148 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.272 -3.151 -1.423 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.960 -1.284 0.198 1.00 0.00 C ATOM 0 H VAL A 22 -5.653 -1.943 1.749 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.384 -1.506 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.670 -3.232 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.216 -3.398 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.838 -4.060 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.396 -2.454 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.909 -1.560 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.072 -0.539 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.309 -0.869 1.143 1.00 0.00 H new ATOM 350 N ALA A 23 -6.577 -3.623 -1.669 1.00 0.00 N ATOM 351 CA ALA A 23 -7.412 -4.765 -1.973 1.00 0.00 C ATOM 352 C ALA A 23 -6.959 -5.424 -3.245 1.00 0.00 C ATOM 353 O ALA A 23 -6.915 -4.807 -4.305 1.00 0.00 O ATOM 354 CB ALA A 23 -8.875 -4.360 -2.074 1.00 0.00 C ATOM 0 H ALA A 23 -6.413 -3.002 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.316 -5.481 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.480 -5.237 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.200 -3.932 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.994 -3.620 -2.866 1.00 0.00 H new ATOM 360 N GLY A 24 -6.618 -6.673 -3.151 1.00 0.00 N ATOM 361 CA GLY A 24 -6.154 -7.384 -4.309 1.00 0.00 C ATOM 362 C GLY A 24 -7.156 -8.391 -4.783 1.00 0.00 C ATOM 363 O GLY A 24 -7.916 -8.935 -3.980 1.00 0.00 O ATOM 0 H GLY A 24 -6.651 -7.221 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.944 -6.676 -5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.216 -7.887 -4.075 1.00 0.00 H new ATOM 367 N GLN A 25 -7.170 -8.664 -6.088 1.00 0.00 N ATOM 368 CA GLN A 25 -8.086 -9.661 -6.650 1.00 0.00 C ATOM 369 C GLN A 25 -7.833 -11.062 -6.070 1.00 0.00 C ATOM 370 O GLN A 25 -8.614 -11.986 -6.261 1.00 0.00 O ATOM 371 CB GLN A 25 -8.055 -9.674 -8.199 1.00 0.00 C ATOM 372 CG GLN A 25 -6.668 -9.543 -8.853 1.00 0.00 C ATOM 373 CD GLN A 25 -5.653 -10.552 -8.352 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.582 -11.677 -8.840 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.824 -10.136 -7.412 1.00 0.00 N ATOM 0 H GLN A 25 -6.563 -8.213 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.092 -9.363 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.509 -10.603 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.683 -8.860 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.774 -9.655 -9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.286 -8.538 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.915 -9.194 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.092 -10.757 -7.066 1.00 0.00 H new ATOM 384 N ASP A 26 -6.728 -11.192 -5.353 1.00 0.00 N ATOM 385 CA ASP A 26 -6.352 -12.425 -4.677 1.00 0.00 C ATOM 386 C ASP A 26 -7.271 -12.674 -3.480 1.00 0.00 C ATOM 387 O ASP A 26 -7.405 -13.794 -2.992 1.00 0.00 O ATOM 388 CB ASP A 26 -4.898 -12.302 -4.202 1.00 0.00 C ATOM 389 CG ASP A 26 -4.426 -13.468 -3.365 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.075 -14.515 -3.941 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.376 -13.330 -2.128 1.00 0.00 O ATOM 0 H ASP A 26 -6.058 -10.434 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.449 -13.264 -5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.249 -12.206 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.792 -11.385 -3.622 1.00 0.00 H new ATOM 396 N GLY A 27 -7.926 -11.615 -3.030 1.00 0.00 N ATOM 397 CA GLY A 27 -8.782 -11.694 -1.863 1.00 0.00 C ATOM 398 C GLY A 27 -8.111 -11.055 -0.679 1.00 0.00 C ATOM 399 O GLY A 27 -8.730 -10.785 0.352 1.00 0.00 O ATOM 0 H GLY A 27 -7.879 -10.690 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.730 -11.196 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.011 -12.736 -1.641 1.00 0.00 H new ATOM 403 N SER A 28 -6.830 -10.822 -0.828 1.00 0.00 N ATOM 404 CA SER A 28 -6.038 -10.181 0.179 1.00 0.00 C ATOM 405 C SER A 28 -6.325 -8.684 0.222 1.00 0.00 C ATOM 406 O SER A 28 -6.042 -7.949 -0.730 1.00 0.00 O ATOM 407 CB SER A 28 -4.559 -10.437 -0.093 1.00 0.00 C ATOM 408 OG SER A 28 -4.262 -11.823 -0.003 1.00 0.00 O ATOM 0 H SER A 28 -6.306 -11.078 -1.665 1.00 0.00 H new ATOM 0 HA SER A 28 -6.298 -10.599 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.298 -10.068 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.952 -9.883 0.623 1.00 0.00 H new ATOM 0 HG SER A 28 -4.010 -12.162 -0.887 1.00 0.00 H new ATOM 414 N VAL A 29 -6.926 -8.239 1.299 1.00 0.00 N ATOM 415 CA VAL A 29 -7.216 -6.839 1.480 1.00 0.00 C ATOM 416 C VAL A 29 -6.943 -6.406 2.925 1.00 0.00 C ATOM 417 O VAL A 29 -7.346 -7.073 3.880 1.00 0.00 O ATOM 418 CB VAL A 29 -8.673 -6.488 1.043 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.675 -7.462 1.616 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.039 -5.064 1.420 1.00 0.00 C ATOM 0 H VAL A 29 -7.226 -8.835 2.071 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.545 -6.277 0.830 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.707 -6.570 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.678 -7.186 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.444 -8.469 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.627 -7.435 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.060 -4.854 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.965 -4.943 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.356 -4.371 0.930 1.00 0.00 H new ATOM 430 N VAL A 30 -6.228 -5.294 3.075 1.00 0.00 N ATOM 431 CA VAL A 30 -5.824 -4.781 4.386 1.00 0.00 C ATOM 432 C VAL A 30 -5.895 -3.254 4.379 1.00 0.00 C ATOM 433 O VAL A 30 -5.725 -2.626 3.338 1.00 0.00 O ATOM 434 CB VAL A 30 -4.368 -5.210 4.758 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.042 -4.844 6.197 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.152 -6.694 4.533 1.00 0.00 C ATOM 0 H VAL A 30 -5.911 -4.721 2.293 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.506 -5.200 5.126 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.692 -4.665 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.023 -5.154 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.132 -3.766 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.737 -5.350 6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.129 -6.958 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.847 -7.261 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.324 -6.932 3.483 1.00 0.00 H new ATOM 446 N GLN A 31 -6.150 -2.654 5.528 1.00 0.00 N ATOM 447 CA GLN A 31 -6.234 -1.207 5.634 1.00 0.00 C ATOM 448 C GLN A 31 -4.994 -0.646 6.337 1.00 0.00 C ATOM 449 O GLN A 31 -4.476 -1.247 7.279 1.00 0.00 O ATOM 450 CB GLN A 31 -7.517 -0.817 6.372 1.00 0.00 C ATOM 451 CG GLN A 31 -7.735 0.680 6.510 1.00 0.00 C ATOM 452 CD GLN A 31 -7.015 1.301 7.711 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.614 2.453 7.672 1.00 0.00 O ATOM 454 NE2 GLN A 31 -6.865 0.546 8.789 1.00 0.00 N ATOM 0 H GLN A 31 -6.303 -3.149 6.406 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.267 -0.775 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.369 -1.248 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.498 -1.262 7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.395 1.173 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.804 0.876 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.211 -0.414 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.404 0.924 9.616 1.00 0.00 H new ATOM 463 N PHE A 32 -4.516 0.512 5.880 1.00 0.00 N ATOM 464 CA PHE A 32 -3.309 1.137 6.445 1.00 0.00 C ATOM 465 C PHE A 32 -3.500 2.641 6.619 1.00 0.00 C ATOM 466 O PHE A 32 -4.055 3.308 5.765 1.00 0.00 O ATOM 467 CB PHE A 32 -2.093 0.902 5.532 1.00 0.00 C ATOM 468 CG PHE A 32 -1.901 -0.525 5.117 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.626 -1.045 4.063 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.004 -1.345 5.781 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.470 -2.344 3.676 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.840 -2.657 5.395 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.575 -3.158 4.340 1.00 0.00 C ATOM 0 H PHE A 32 -4.943 1.040 5.119 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.135 0.677 7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.200 1.517 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.195 1.242 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.327 -0.414 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.429 -0.953 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.046 -2.735 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.139 -3.291 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.450 -4.186 4.034 1.00 0.00 H new ATOM 483 N LYS A 33 -3.026 3.177 7.722 1.00 0.00 N ATOM 484 CA LYS A 33 -3.099 4.609 7.962 1.00 0.00 C ATOM 485 C LYS A 33 -1.720 5.235 7.805 1.00 0.00 C ATOM 486 O LYS A 33 -0.802 4.947 8.579 1.00 0.00 O ATOM 487 CB LYS A 33 -3.648 4.904 9.359 1.00 0.00 C ATOM 488 CG LYS A 33 -5.153 4.755 9.480 1.00 0.00 C ATOM 489 CD LYS A 33 -5.655 5.003 10.910 1.00 0.00 C ATOM 490 CE LYS A 33 -5.057 4.027 11.925 1.00 0.00 C ATOM 491 NZ LYS A 33 -3.745 4.493 12.461 1.00 0.00 N ATOM 0 H LYS A 33 -2.584 2.645 8.471 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.778 5.043 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.169 4.235 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.371 5.920 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.640 5.455 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.442 3.752 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.409 6.023 11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.742 4.919 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.756 3.893 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.928 3.052 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.334 3.753 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.099 4.694 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.886 5.358 13.021 1.00 0.00 H new ATOM 505 N ILE A 34 -1.561 6.074 6.799 1.00 0.00 N ATOM 506 CA ILE A 34 -0.287 6.743 6.553 1.00 0.00 C ATOM 507 C ILE A 34 -0.479 8.245 6.454 1.00 0.00 C ATOM 508 O ILE A 34 -1.608 8.738 6.394 1.00 0.00 O ATOM 509 CB ILE A 34 0.409 6.241 5.261 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.493 6.451 4.038 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.813 4.776 5.394 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.189 6.144 2.722 1.00 0.00 C ATOM 0 H ILE A 34 -2.297 6.312 6.134 1.00 0.00 H new ATOM 0 HA ILE A 34 0.353 6.501 7.402 1.00 0.00 H new ATOM 0 HB ILE A 34 1.316 6.828 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.376 5.820 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.839 7.484 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.299 4.448 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.503 4.663 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.074 4.169 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.509 6.315 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.056 6.793 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.511 5.103 2.713 1.00 0.00 H new ATOM 524 N LYS A 35 0.612 8.977 6.435 1.00 0.00 N ATOM 525 CA LYS A 35 0.557 10.417 6.347 1.00 0.00 C ATOM 526 C LYS A 35 0.354 10.828 4.882 1.00 0.00 C ATOM 527 O LYS A 35 0.815 10.148 3.975 1.00 0.00 O ATOM 528 CB LYS A 35 1.853 11.012 6.926 1.00 0.00 C ATOM 529 CG LYS A 35 1.707 12.394 7.542 1.00 0.00 C ATOM 530 CD LYS A 35 1.827 13.506 6.513 1.00 0.00 C ATOM 531 CE LYS A 35 1.655 14.877 7.157 1.00 0.00 C ATOM 532 NZ LYS A 35 2.768 15.210 8.092 1.00 0.00 N ATOM 0 H LYS A 35 1.556 8.593 6.480 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.282 10.802 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.240 10.332 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.598 11.062 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.740 12.466 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.470 12.529 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.800 13.450 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.074 13.369 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.599 15.637 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.709 14.905 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.679 16.200 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.723 14.584 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.679 15.079 7.608 1.00 0.00 H new ATOM 546 N ARG A 36 -0.343 11.941 4.658 1.00 0.00 N ATOM 547 CA ARG A 36 -0.650 12.433 3.303 1.00 0.00 C ATOM 548 C ARG A 36 0.621 12.638 2.462 1.00 0.00 C ATOM 549 O ARG A 36 0.586 12.568 1.236 1.00 0.00 O ATOM 550 CB ARG A 36 -1.419 13.759 3.383 1.00 0.00 C ATOM 551 CG ARG A 36 -1.942 14.250 2.039 1.00 0.00 C ATOM 552 CD ARG A 36 -3.329 13.705 1.747 1.00 0.00 C ATOM 553 NE ARG A 36 -4.337 14.345 2.589 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.656 14.302 2.372 1.00 0.00 C ATOM 555 NH1 ARG A 36 -6.150 13.586 1.371 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.478 14.966 3.171 1.00 0.00 N ATOM 0 H ARG A 36 -0.713 12.530 5.404 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.262 11.673 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.259 13.640 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.766 14.521 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.970 15.340 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.257 13.946 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.572 13.867 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.342 12.628 1.915 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.010 14.864 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.523 13.063 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.157 13.558 1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.105 15.509 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.484 14.935 3.007 1.00 0.00 H new ATOM 570 N HIS A 37 1.740 12.883 3.117 1.00 0.00 N ATOM 571 CA HIS A 37 2.990 13.129 2.411 1.00 0.00 C ATOM 572 C HIS A 37 3.869 11.886 2.453 1.00 0.00 C ATOM 573 O HIS A 37 4.952 11.846 1.877 1.00 0.00 O ATOM 574 CB HIS A 37 3.723 14.325 3.030 1.00 0.00 C ATOM 575 CG HIS A 37 4.901 14.800 2.230 1.00 0.00 C ATOM 576 ND1 HIS A 37 6.206 14.574 2.599 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.958 15.498 1.074 1.00 0.00 C ATOM 578 CE1 HIS A 37 7.012 15.109 1.711 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.282 15.676 0.775 1.00 0.00 N ATOM 0 H HIS A 37 1.813 12.918 4.134 1.00 0.00 H new ATOM 0 HA HIS A 37 2.766 13.362 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.019 15.149 3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.062 14.053 4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.117 15.849 0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.091 15.087 1.744 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.644 16.169 -0.042 1.00 0.00 H new ATOM 588 N THR A 38 3.393 10.867 3.132 1.00 0.00 N ATOM 589 CA THR A 38 4.115 9.634 3.258 1.00 0.00 C ATOM 590 C THR A 38 3.914 8.773 2.014 1.00 0.00 C ATOM 591 O THR A 38 2.790 8.606 1.547 1.00 0.00 O ATOM 592 CB THR A 38 3.664 8.868 4.520 1.00 0.00 C ATOM 593 OG1 THR A 38 4.161 9.533 5.688 1.00 0.00 O ATOM 594 CG2 THR A 38 4.151 7.430 4.501 1.00 0.00 C ATOM 0 H THR A 38 2.492 10.876 3.611 1.00 0.00 H new ATOM 0 HA THR A 38 5.176 9.864 3.356 1.00 0.00 H new ATOM 0 HB THR A 38 2.574 8.853 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.873 9.047 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.816 6.920 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.748 6.921 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.240 7.415 4.459 1.00 0.00 H new ATOM 602 N PRO A 39 5.007 8.238 1.455 1.00 0.00 N ATOM 603 CA PRO A 39 4.949 7.410 0.259 1.00 0.00 C ATOM 604 C PRO A 39 4.200 6.109 0.507 1.00 0.00 C ATOM 605 O PRO A 39 4.232 5.552 1.615 1.00 0.00 O ATOM 606 CB PRO A 39 6.421 7.133 -0.067 1.00 0.00 C ATOM 607 CG PRO A 39 7.137 7.325 1.225 1.00 0.00 C ATOM 608 CD PRO A 39 6.381 8.388 1.960 1.00 0.00 C ATOM 0 HA PRO A 39 4.414 7.902 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.558 6.122 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.793 7.816 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.164 6.398 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.171 7.626 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.431 8.244 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.779 9.381 1.753 1.00 0.00 H new ATOM 616 N LEU A 40 3.536 5.618 -0.519 1.00 0.00 N ATOM 617 CA LEU A 40 2.753 4.399 -0.428 1.00 0.00 C ATOM 618 C LEU A 40 3.633 3.180 -0.149 1.00 0.00 C ATOM 619 O LEU A 40 3.140 2.128 0.244 1.00 0.00 O ATOM 620 CB LEU A 40 1.928 4.191 -1.697 1.00 0.00 C ATOM 621 CG LEU A 40 0.974 5.336 -2.069 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.073 4.938 -3.221 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.144 5.763 -0.872 1.00 0.00 C ATOM 0 H LEU A 40 3.523 6.052 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 40 2.071 4.510 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.612 4.028 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.343 3.279 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 40 1.581 6.184 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.593 5.766 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.682 4.693 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.519 4.068 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.523 6.575 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.446 4.918 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.804 6.104 -0.074 1.00 0.00 H new ATOM 635 N SER A 41 4.944 3.333 -0.341 1.00 0.00 N ATOM 636 CA SER A 41 5.907 2.253 -0.134 1.00 0.00 C ATOM 637 C SER A 41 5.715 1.557 1.213 1.00 0.00 C ATOM 638 O SER A 41 5.860 0.339 1.311 1.00 0.00 O ATOM 639 CB SER A 41 7.331 2.801 -0.245 1.00 0.00 C ATOM 640 OG SER A 41 7.478 3.990 0.513 1.00 0.00 O ATOM 0 H SER A 41 5.367 4.210 -0.645 1.00 0.00 H new ATOM 0 HA SER A 41 5.737 1.507 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.041 2.052 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.567 3.000 -1.290 1.00 0.00 H new ATOM 0 HG SER A 41 8.397 4.321 0.428 1.00 0.00 H new ATOM 646 N LYS A 42 5.380 2.320 2.246 1.00 0.00 N ATOM 647 CA LYS A 42 5.157 1.751 3.572 1.00 0.00 C ATOM 648 C LYS A 42 4.083 0.670 3.525 1.00 0.00 C ATOM 649 O LYS A 42 4.309 -0.469 3.938 1.00 0.00 O ATOM 650 CB LYS A 42 4.753 2.853 4.562 1.00 0.00 C ATOM 651 CG LYS A 42 5.832 3.908 4.808 1.00 0.00 C ATOM 652 CD LYS A 42 6.738 3.553 5.994 1.00 0.00 C ATOM 653 CE LYS A 42 7.494 2.245 5.787 1.00 0.00 C ATOM 654 NZ LYS A 42 8.414 1.954 6.913 1.00 0.00 N ATOM 0 H LYS A 42 5.257 3.331 2.193 1.00 0.00 H new ATOM 0 HA LYS A 42 6.088 1.296 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.856 3.348 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.490 2.391 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.440 4.018 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.358 4.872 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.453 4.360 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.134 3.479 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.782 1.427 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.062 2.297 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.909 1.057 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.110 2.722 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.869 1.879 7.796 1.00 0.00 H new ATOM 668 N LEU A 43 2.925 1.010 2.982 1.00 0.00 N ATOM 669 CA LEU A 43 1.836 0.059 2.885 1.00 0.00 C ATOM 670 C LEU A 43 2.092 -0.968 1.791 1.00 0.00 C ATOM 671 O LEU A 43 1.670 -2.113 1.900 1.00 0.00 O ATOM 672 CB LEU A 43 0.461 0.761 2.717 1.00 0.00 C ATOM 673 CG LEU A 43 0.257 1.670 1.488 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.011 0.853 0.227 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.901 2.617 1.729 1.00 0.00 C ATOM 0 H LEU A 43 2.718 1.934 2.604 1.00 0.00 H new ATOM 0 HA LEU A 43 1.793 -0.481 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.307 -0.012 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.281 1.361 3.609 1.00 0.00 H new ATOM 0 HG LEU A 43 1.170 2.247 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.129 1.525 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.868 0.206 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.883 0.243 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.037 3.255 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.811 2.042 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.689 3.236 2.601 1.00 0.00 H new ATOM 687 N MET A 44 2.796 -0.549 0.730 1.00 0.00 N ATOM 688 CA MET A 44 3.108 -1.433 -0.396 1.00 0.00 C ATOM 689 C MET A 44 3.772 -2.715 0.078 1.00 0.00 C ATOM 690 O MET A 44 3.272 -3.807 -0.154 1.00 0.00 O ATOM 691 CB MET A 44 4.067 -0.733 -1.358 1.00 0.00 C ATOM 692 CG MET A 44 3.485 -0.359 -2.707 1.00 0.00 C ATOM 693 SD MET A 44 2.255 0.938 -2.603 1.00 0.00 S ATOM 694 CE MET A 44 2.233 1.496 -4.301 1.00 0.00 C ATOM 0 H MET A 44 3.160 0.399 0.630 1.00 0.00 H new ATOM 0 HA MET A 44 2.168 -1.673 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.437 0.173 -0.878 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.928 -1.382 -1.521 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.290 -0.036 -3.367 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.036 -1.243 -3.160 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.084 2.575 -4.327 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.182 1.249 -4.777 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.420 1.004 -4.835 1.00 0.00 H new ATOM 704 N LYS A 45 4.895 -2.581 0.764 1.00 0.00 N ATOM 705 CA LYS A 45 5.615 -3.737 1.262 1.00 0.00 C ATOM 706 C LYS A 45 4.885 -4.385 2.432 1.00 0.00 C ATOM 707 O LYS A 45 4.828 -5.606 2.535 1.00 0.00 O ATOM 708 CB LYS A 45 7.056 -3.383 1.666 1.00 0.00 C ATOM 709 CG LYS A 45 7.978 -2.992 0.509 1.00 0.00 C ATOM 710 CD LYS A 45 7.661 -1.615 -0.037 1.00 0.00 C ATOM 711 CE LYS A 45 8.648 -1.189 -1.105 1.00 0.00 C ATOM 712 NZ LYS A 45 10.011 -0.978 -0.557 1.00 0.00 N ATOM 0 H LYS A 45 5.326 -1.684 0.988 1.00 0.00 H new ATOM 0 HA LYS A 45 5.661 -4.455 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.025 -2.559 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.492 -4.237 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.014 -3.017 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.887 -3.727 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.653 -1.612 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.672 -0.890 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.686 -1.948 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.300 -0.268 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.482 -0.215 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.945 -0.717 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.562 -1.855 -0.651 1.00 0.00 H new ATOM 726 N ALA A 46 4.290 -3.563 3.298 1.00 0.00 N ATOM 727 CA ALA A 46 3.607 -4.066 4.493 1.00 0.00 C ATOM 728 C ALA A 46 2.487 -5.015 4.118 1.00 0.00 C ATOM 729 O ALA A 46 2.368 -6.111 4.669 1.00 0.00 O ATOM 730 CB ALA A 46 3.066 -2.921 5.327 1.00 0.00 C ATOM 0 H ALA A 46 4.267 -2.548 3.196 1.00 0.00 H new ATOM 0 HA ALA A 46 4.338 -4.614 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.563 -3.319 6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.889 -2.277 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.357 -2.343 4.735 1.00 0.00 H new ATOM 736 N TYR A 47 1.665 -4.594 3.170 1.00 0.00 N ATOM 737 CA TYR A 47 0.563 -5.394 2.674 1.00 0.00 C ATOM 738 C TYR A 47 1.057 -6.738 2.159 1.00 0.00 C ATOM 739 O TYR A 47 0.568 -7.781 2.557 1.00 0.00 O ATOM 740 CB TYR A 47 -0.163 -4.624 1.557 1.00 0.00 C ATOM 741 CG TYR A 47 -1.085 -5.456 0.694 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.407 -5.681 1.059 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.633 -5.999 -0.504 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.248 -6.428 0.258 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.466 -6.745 -1.306 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.768 -6.958 -0.926 1.00 0.00 C ATOM 747 OH TYR A 47 -3.596 -7.701 -1.732 1.00 0.00 O ATOM 0 H TYR A 47 1.747 -3.681 2.722 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.132 -5.586 3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.743 -3.820 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.584 -4.156 0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.782 -5.266 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.389 -5.832 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.273 -6.597 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.097 -7.162 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.485 -7.757 -1.324 1.00 0.00 H new ATOM 757 N CYS A 48 2.048 -6.705 1.300 1.00 0.00 N ATOM 758 CA CYS A 48 2.574 -7.912 0.691 1.00 0.00 C ATOM 759 C CYS A 48 3.194 -8.846 1.723 1.00 0.00 C ATOM 760 O CYS A 48 3.078 -10.064 1.623 1.00 0.00 O ATOM 761 CB CYS A 48 3.578 -7.538 -0.364 1.00 0.00 C ATOM 762 SG CYS A 48 2.955 -6.306 -1.504 1.00 0.00 S ATOM 0 H CYS A 48 2.513 -5.847 1.002 1.00 0.00 H new ATOM 0 HA CYS A 48 1.748 -8.455 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.480 -7.159 0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.864 -8.431 -0.920 1.00 0.00 H new ATOM 0 HG CYS A 48 3.947 -5.616 -1.982 1.00 0.00 H new ATOM 768 N GLU A 49 3.841 -8.277 2.722 1.00 0.00 N ATOM 769 CA GLU A 49 4.454 -9.059 3.779 1.00 0.00 C ATOM 770 C GLU A 49 3.403 -9.818 4.584 1.00 0.00 C ATOM 771 O GLU A 49 3.577 -10.991 4.907 1.00 0.00 O ATOM 772 CB GLU A 49 5.276 -8.156 4.697 1.00 0.00 C ATOM 773 CG GLU A 49 6.530 -7.608 4.050 1.00 0.00 C ATOM 774 CD GLU A 49 7.422 -6.896 5.034 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.214 -7.576 5.726 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.352 -5.654 5.122 1.00 0.00 O ATOM 0 H GLU A 49 3.956 -7.269 2.824 1.00 0.00 H new ATOM 0 HA GLU A 49 5.117 -9.791 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.654 -7.323 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.554 -8.717 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.084 -8.425 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.252 -6.920 3.252 1.00 0.00 H new ATOM 783 N ARG A 50 2.299 -9.159 4.888 1.00 0.00 N ATOM 784 CA ARG A 50 1.240 -9.767 5.680 1.00 0.00 C ATOM 785 C ARG A 50 0.291 -10.600 4.812 1.00 0.00 C ATOM 786 O ARG A 50 -0.429 -11.456 5.312 1.00 0.00 O ATOM 787 CB ARG A 50 0.469 -8.686 6.455 1.00 0.00 C ATOM 788 CG ARG A 50 -0.106 -7.583 5.578 1.00 0.00 C ATOM 789 CD ARG A 50 -0.549 -6.380 6.399 1.00 0.00 C ATOM 790 NE ARG A 50 0.548 -5.823 7.203 1.00 0.00 N ATOM 791 CZ ARG A 50 0.393 -4.939 8.197 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.822 -4.521 8.544 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.454 -4.487 8.853 1.00 0.00 N ATOM 0 H ARG A 50 2.110 -8.199 4.598 1.00 0.00 H new ATOM 0 HA ARG A 50 1.703 -10.447 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.344 -9.159 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.135 -8.239 7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.643 -7.270 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.955 -7.971 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.936 -5.610 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.367 -6.673 7.057 1.00 0.00 H new ATOM 0 HE ARG A 50 1.496 -6.132 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.643 -4.874 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.932 -3.848 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.387 -4.813 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.337 -3.814 9.610 1.00 0.00 H new ATOM 807 N GLN A 51 0.284 -10.344 3.507 1.00 0.00 N ATOM 808 CA GLN A 51 -0.599 -11.066 2.583 1.00 0.00 C ATOM 809 C GLN A 51 0.134 -12.163 1.829 1.00 0.00 C ATOM 810 O GLN A 51 -0.468 -12.908 1.051 1.00 0.00 O ATOM 811 CB GLN A 51 -1.272 -10.098 1.615 1.00 0.00 C ATOM 812 CG GLN A 51 -2.183 -9.095 2.310 1.00 0.00 C ATOM 813 CD GLN A 51 -3.177 -9.755 3.254 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.297 -10.080 2.877 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.764 -9.961 4.484 1.00 0.00 N ATOM 0 H GLN A 51 0.877 -9.644 3.061 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.369 -11.551 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.506 -9.559 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.854 -10.666 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.574 -8.385 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.728 -8.524 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.824 -9.677 4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.383 -10.405 5.162 1.00 0.00 H new ATOM 824 N GLY A 52 1.433 -12.275 2.067 1.00 0.00 N ATOM 825 CA GLY A 52 2.231 -13.302 1.407 1.00 0.00 C ATOM 826 C GLY A 52 2.327 -13.084 -0.089 1.00 0.00 C ATOM 827 O GLY A 52 2.127 -14.008 -0.884 1.00 0.00 O ATOM 0 H GLY A 52 1.954 -11.674 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.233 -13.311 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.792 -14.281 1.602 1.00 0.00 H new ATOM 831 N LEU A 53 2.639 -11.868 -0.476 1.00 0.00 N ATOM 832 CA LEU A 53 2.739 -11.505 -1.870 1.00 0.00 C ATOM 833 C LEU A 53 4.120 -10.946 -2.182 1.00 0.00 C ATOM 834 O LEU A 53 4.809 -10.427 -1.303 1.00 0.00 O ATOM 835 CB LEU A 53 1.651 -10.489 -2.215 1.00 0.00 C ATOM 836 CG LEU A 53 0.224 -11.033 -2.188 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.784 -9.915 -2.119 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.040 -11.924 -3.385 1.00 0.00 C ATOM 0 H LEU A 53 2.831 -11.102 0.169 1.00 0.00 H new ATOM 0 HA LEU A 53 2.595 -12.396 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.719 -9.656 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.852 -10.088 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 53 0.116 -11.637 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.790 -10.333 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.618 -9.331 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.674 -9.271 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.063 -12.298 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.098 -11.352 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.654 -12.764 -3.373 1.00 0.00 H new ATOM 850 N SER A 54 4.528 -11.060 -3.427 1.00 0.00 N ATOM 851 CA SER A 54 5.825 -10.591 -3.851 1.00 0.00 C ATOM 852 C SER A 54 5.717 -9.277 -4.618 1.00 0.00 C ATOM 853 O SER A 54 4.994 -9.183 -5.602 1.00 0.00 O ATOM 854 CB SER A 54 6.498 -11.653 -4.710 1.00 0.00 C ATOM 855 OG SER A 54 6.851 -12.781 -3.931 1.00 0.00 O ATOM 0 H SER A 54 3.970 -11.480 -4.171 1.00 0.00 H new ATOM 0 HA SER A 54 6.431 -10.406 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.827 -11.956 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.389 -11.236 -5.179 1.00 0.00 H new ATOM 0 HG SER A 54 7.280 -13.452 -4.502 1.00 0.00 H new ATOM 861 N MET A 55 6.475 -8.273 -4.180 1.00 0.00 N ATOM 862 CA MET A 55 6.459 -6.928 -4.788 1.00 0.00 C ATOM 863 C MET A 55 6.813 -6.973 -6.284 1.00 0.00 C ATOM 864 O MET A 55 6.420 -6.103 -7.055 1.00 0.00 O ATOM 865 CB MET A 55 7.462 -6.001 -4.064 1.00 0.00 C ATOM 866 CG MET A 55 7.238 -5.844 -2.568 1.00 0.00 C ATOM 867 SD MET A 55 5.698 -5.003 -2.165 1.00 0.00 S ATOM 868 CE MET A 55 5.885 -3.453 -3.036 1.00 0.00 C ATOM 0 H MET A 55 7.120 -8.361 -3.395 1.00 0.00 H new ATOM 0 HA MET A 55 5.446 -6.540 -4.683 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.469 -6.386 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.419 -5.015 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.239 -6.829 -2.102 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.071 -5.288 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.955 -2.888 -2.976 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.691 -2.876 -2.582 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.124 -3.649 -4.081 1.00 0.00 H new ATOM 878 N ARG A 56 7.579 -7.979 -6.689 1.00 0.00 N ATOM 879 CA ARG A 56 7.994 -8.095 -8.089 1.00 0.00 C ATOM 880 C ARG A 56 6.914 -8.789 -8.928 1.00 0.00 C ATOM 881 O ARG A 56 6.796 -8.561 -10.130 1.00 0.00 O ATOM 882 CB ARG A 56 9.322 -8.865 -8.216 1.00 0.00 C ATOM 883 CG ARG A 56 10.408 -8.421 -7.241 1.00 0.00 C ATOM 884 CD ARG A 56 10.446 -9.321 -6.010 1.00 0.00 C ATOM 885 NE ARG A 56 10.918 -10.668 -6.336 1.00 0.00 N ATOM 886 CZ ARG A 56 11.118 -11.651 -5.446 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.921 -11.439 -4.152 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.528 -12.839 -5.862 1.00 0.00 N ATOM 0 H ARG A 56 7.924 -8.720 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 56 8.139 -7.083 -8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.127 -9.927 -8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.697 -8.752 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.377 -8.440 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.227 -7.390 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.099 -8.879 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.449 -9.381 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 56 11.110 -10.875 -7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.615 -10.522 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.076 -12.193 -3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.690 -13.003 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.682 -13.590 -5.189 1.00 0.00 H new ATOM 902 N GLN A 57 6.133 -9.644 -8.287 1.00 0.00 N ATOM 903 CA GLN A 57 5.091 -10.411 -8.972 1.00 0.00 C ATOM 904 C GLN A 57 3.741 -9.707 -8.923 1.00 0.00 C ATOM 905 O GLN A 57 2.912 -9.893 -9.790 1.00 0.00 O ATOM 906 CB GLN A 57 4.961 -11.813 -8.355 1.00 0.00 C ATOM 907 CG GLN A 57 5.866 -12.886 -8.968 1.00 0.00 C ATOM 908 CD GLN A 57 7.246 -12.995 -8.335 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.800 -14.084 -8.234 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.822 -11.882 -7.951 1.00 0.00 N ATOM 0 H GLN A 57 6.198 -9.829 -7.286 1.00 0.00 H new ATOM 0 HA GLN A 57 5.391 -10.497 -10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.178 -11.744 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.925 -12.138 -8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.367 -13.852 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.985 -12.677 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.331 -10.993 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.761 -11.905 -7.553 1.00 0.00 H new ATOM 919 N ILE A 58 3.505 -8.904 -7.914 1.00 0.00 N ATOM 920 CA ILE A 58 2.224 -8.228 -7.805 1.00 0.00 C ATOM 921 C ILE A 58 2.346 -6.772 -8.222 1.00 0.00 C ATOM 922 O ILE A 58 3.447 -6.230 -8.307 1.00 0.00 O ATOM 923 CB ILE A 58 1.640 -8.323 -6.374 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.365 -7.377 -5.433 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.745 -9.747 -5.872 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.614 -7.135 -4.160 1.00 0.00 C ATOM 0 H ILE A 58 4.167 -8.701 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 58 1.536 -8.736 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 58 0.590 -8.032 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.347 -7.788 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.530 -6.425 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.333 -9.809 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.186 -10.408 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.792 -10.051 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.181 -6.452 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.642 -6.697 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.472 -8.080 -3.636 1.00 0.00 H new ATOM 938 N ARG A 59 1.225 -6.134 -8.490 1.00 0.00 N ATOM 939 CA ARG A 59 1.228 -4.763 -8.931 1.00 0.00 C ATOM 940 C ARG A 59 0.144 -3.974 -8.229 1.00 0.00 C ATOM 941 O ARG A 59 -1.003 -4.415 -8.133 1.00 0.00 O ATOM 942 CB ARG A 59 1.007 -4.708 -10.444 1.00 0.00 C ATOM 943 CG ARG A 59 1.067 -3.311 -11.050 1.00 0.00 C ATOM 944 CD ARG A 59 2.410 -2.652 -10.792 1.00 0.00 C ATOM 945 NE ARG A 59 3.529 -3.500 -11.210 1.00 0.00 N ATOM 946 CZ ARG A 59 4.813 -3.171 -11.066 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.150 -1.982 -10.569 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.758 -4.023 -11.426 1.00 0.00 N ATOM 0 H ARG A 59 0.297 -6.550 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 59 2.194 -4.321 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.758 -5.331 -10.929 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.035 -5.145 -10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.890 -3.371 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.271 -2.696 -10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.456 -1.703 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.504 -2.426 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 59 3.312 -4.400 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.424 -1.319 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.134 -1.735 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.505 -4.932 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.740 -3.771 -11.316 1.00 0.00 H new ATOM 962 N PHE A 60 0.511 -2.817 -7.720 1.00 0.00 N ATOM 963 CA PHE A 60 -0.433 -1.916 -7.102 1.00 0.00 C ATOM 964 C PHE A 60 -0.983 -0.968 -8.154 1.00 0.00 C ATOM 965 O PHE A 60 -0.226 -0.328 -8.890 1.00 0.00 O ATOM 966 CB PHE A 60 0.243 -1.120 -5.991 1.00 0.00 C ATOM 967 CG PHE A 60 0.310 -1.821 -4.665 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.971 -3.028 -4.526 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.288 -1.260 -3.553 1.00 0.00 C ATOM 970 CE1 PHE A 60 1.028 -3.661 -3.298 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.234 -1.884 -2.330 1.00 0.00 C ATOM 972 CZ PHE A 60 0.422 -3.086 -2.200 1.00 0.00 C ATOM 0 H PHE A 60 1.472 -2.476 -7.724 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.248 -2.495 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.256 -0.872 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.291 -0.178 -5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.447 -3.480 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.806 -0.317 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.546 -4.604 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.706 -1.431 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.463 -3.579 -1.240 1.00 0.00 H new ATOM 982 N ARG A 61 -2.281 -0.891 -8.252 1.00 0.00 N ATOM 983 CA ARG A 61 -2.908 -0.052 -9.244 1.00 0.00 C ATOM 984 C ARG A 61 -4.103 0.689 -8.671 1.00 0.00 C ATOM 985 O ARG A 61 -4.818 0.179 -7.820 1.00 0.00 O ATOM 986 CB ARG A 61 -3.337 -0.912 -10.433 1.00 0.00 C ATOM 987 CG ARG A 61 -4.018 -0.153 -11.553 1.00 0.00 C ATOM 988 CD ARG A 61 -4.517 -1.095 -12.627 1.00 0.00 C ATOM 989 NE ARG A 61 -3.430 -1.863 -13.245 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.578 -3.109 -13.724 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.775 -3.688 -13.720 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.536 -3.757 -14.227 1.00 0.00 N ATOM 0 H ARG A 61 -2.932 -1.401 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.186 0.696 -9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.458 -1.415 -10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.013 -1.689 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.853 0.421 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.320 0.562 -11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.244 -1.782 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.037 -0.523 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.511 -1.426 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.583 -3.186 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.885 -4.634 -14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.620 -3.309 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.651 -4.703 -14.590 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.306 1.901 -9.127 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.440 2.691 -8.721 1.00 0.00 C ATOM 1008 C PHE A 62 -5.830 3.615 -9.846 1.00 0.00 C ATOM 1009 O PHE A 62 -4.971 4.128 -10.540 1.00 0.00 O ATOM 1010 CB PHE A 62 -5.131 3.508 -7.467 1.00 0.00 C ATOM 1011 CG PHE A 62 -6.290 4.354 -7.036 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -7.355 3.785 -6.378 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.319 5.710 -7.308 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -8.437 4.550 -5.992 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.396 6.483 -6.923 1.00 0.00 C ATOM 1016 CZ PHE A 62 -8.456 5.900 -6.265 1.00 0.00 C ATOM 0 H PHE A 62 -3.688 2.367 -9.791 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.263 2.016 -8.487 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.856 2.834 -6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.269 4.147 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.345 2.727 -6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.490 6.169 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.268 4.091 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.407 7.541 -7.137 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.301 6.501 -5.963 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.130 3.816 -10.042 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.639 4.705 -11.101 1.00 0.00 C ATOM 1028 C ASP A 63 -7.276 4.147 -12.467 1.00 0.00 C ATOM 1029 O ASP A 63 -7.172 4.870 -13.459 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.055 6.115 -10.934 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.859 7.176 -11.648 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.033 7.386 -11.277 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.320 7.819 -12.572 1.00 0.00 O ATOM 0 H ASP A 63 -7.860 3.376 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.724 4.764 -11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.005 6.358 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.033 6.126 -11.312 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.090 2.841 -12.516 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.700 2.188 -13.739 1.00 0.00 C ATOM 1040 C GLY A 64 -5.222 2.337 -14.030 1.00 0.00 C ATOM 1041 O GLY A 64 -4.663 1.608 -14.850 1.00 0.00 O ATOM 0 H GLY A 64 -7.204 2.216 -11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.950 1.129 -13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.274 2.603 -14.568 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.568 3.263 -13.350 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.157 3.498 -13.570 1.00 0.00 C ATOM 1047 C GLN A 65 -2.318 2.826 -12.486 1.00 0.00 C ATOM 1048 O GLN A 65 -2.655 2.879 -11.301 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.864 5.001 -13.615 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.300 5.732 -12.368 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.894 7.184 -12.353 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.828 7.837 -13.393 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.600 7.689 -11.176 1.00 0.00 N ATOM 0 H GLN A 65 -4.993 3.862 -12.643 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.887 3.061 -14.531 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.794 5.151 -13.761 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.368 5.437 -14.478 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.384 5.664 -12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.875 5.234 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.670 7.109 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.302 8.661 -11.098 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.236 2.153 -12.876 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.337 1.514 -11.922 1.00 0.00 C ATOM 1064 C PRO A 66 0.412 2.553 -11.093 1.00 0.00 C ATOM 1065 O PRO A 66 0.955 3.517 -11.632 1.00 0.00 O ATOM 1066 CB PRO A 66 0.638 0.731 -12.806 1.00 0.00 C ATOM 1067 CG PRO A 66 0.583 1.405 -14.135 1.00 0.00 C ATOM 1068 CD PRO A 66 -0.806 1.956 -14.272 1.00 0.00 C ATOM 0 HA PRO A 66 -0.867 0.883 -11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.647 0.752 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.347 -0.317 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.325 2.201 -14.198 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.803 0.701 -14.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.813 2.892 -14.830 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.462 1.264 -14.801 1.00 0.00 H new ATOM 1076 N ILE A 67 0.435 2.372 -9.791 1.00 0.00 N ATOM 1077 CA ILE A 67 1.114 3.308 -8.912 1.00 0.00 C ATOM 1078 C ILE A 67 2.495 2.796 -8.537 1.00 0.00 C ATOM 1079 O ILE A 67 2.923 1.731 -9.003 1.00 0.00 O ATOM 1080 CB ILE A 67 0.291 3.619 -7.647 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.233 2.327 -7.014 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.846 4.581 -7.978 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.160 2.541 -5.840 1.00 0.00 C ATOM 0 H ILE A 67 -0.008 1.586 -9.314 1.00 0.00 H new ATOM 0 HA ILE A 67 1.225 4.240 -9.465 1.00 0.00 H new ATOM 0 HB ILE A 67 0.938 4.105 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.757 1.750 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.616 1.726 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.419 4.792 -7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.434 5.510 -8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.499 4.129 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.484 1.575 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.635 3.089 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.030 3.113 -6.163 1.00 0.00 H new ATOM 1095 N ASN A 68 3.196 3.533 -7.696 1.00 0.00 N ATOM 1096 CA ASN A 68 4.567 3.190 -7.364 1.00 0.00 C ATOM 1097 C ASN A 68 4.782 3.270 -5.887 1.00 0.00 C ATOM 1098 O ASN A 68 3.996 3.840 -5.162 1.00 0.00 O ATOM 1099 CB ASN A 68 5.547 4.158 -8.032 1.00 0.00 C ATOM 1100 CG ASN A 68 5.076 4.658 -9.366 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.355 4.065 -10.411 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.364 5.761 -9.341 1.00 0.00 N ATOM 0 H ASN A 68 2.841 4.369 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 68 4.744 2.175 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.713 5.009 -7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.509 3.660 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.016 6.163 -10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.159 6.216 -8.451 1.00 0.00 H new ATOM 1109 N GLU A 69 5.877 2.736 -5.433 1.00 0.00 N ATOM 1110 CA GLU A 69 6.198 2.819 -4.031 1.00 0.00 C ATOM 1111 C GLU A 69 6.763 4.208 -3.732 1.00 0.00 C ATOM 1112 O GLU A 69 6.956 4.593 -2.583 1.00 0.00 O ATOM 1113 CB GLU A 69 7.190 1.722 -3.626 1.00 0.00 C ATOM 1114 CG GLU A 69 8.590 1.900 -4.182 1.00 0.00 C ATOM 1115 CD GLU A 69 9.558 0.891 -3.607 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.648 -0.221 -4.151 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.212 1.198 -2.592 1.00 0.00 O ATOM 0 H GLU A 69 6.561 2.241 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 69 5.292 2.664 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.247 1.686 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.802 0.759 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.565 1.801 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.943 2.908 -3.962 1.00 0.00 H new ATOM 1124 N THR A 70 7.003 4.969 -4.790 1.00 0.00 N ATOM 1125 CA THR A 70 7.542 6.297 -4.667 1.00 0.00 C ATOM 1126 C THR A 70 6.473 7.356 -4.968 1.00 0.00 C ATOM 1127 O THR A 70 6.785 8.533 -5.183 1.00 0.00 O ATOM 1128 CB THR A 70 8.771 6.495 -5.597 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.341 7.798 -5.402 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.380 6.325 -7.057 1.00 0.00 C ATOM 0 H THR A 70 6.827 4.676 -5.751 1.00 0.00 H new ATOM 0 HA THR A 70 7.871 6.421 -3.635 1.00 0.00 H new ATOM 0 HB THR A 70 9.510 5.736 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.623 8.462 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.257 6.468 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.981 5.323 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.621 7.062 -7.319 1.00 0.00 H new ATOM 1138 N ASP A 71 5.209 6.954 -4.956 1.00 0.00 N ATOM 1139 CA ASP A 71 4.142 7.899 -5.180 1.00 0.00 C ATOM 1140 C ASP A 71 3.488 8.214 -3.852 1.00 0.00 C ATOM 1141 O ASP A 71 3.538 7.404 -2.912 1.00 0.00 O ATOM 1142 CB ASP A 71 3.110 7.406 -6.231 1.00 0.00 C ATOM 1143 CG ASP A 71 1.950 6.628 -5.671 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.023 7.254 -5.128 1.00 0.00 O ATOM 1145 OD2 ASP A 71 1.949 5.396 -5.823 1.00 0.00 O ATOM 0 H ASP A 71 4.908 5.993 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 71 4.567 8.809 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.721 8.271 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.627 6.783 -6.960 1.00 0.00 H new ATOM 1150 N THR A 72 2.939 9.394 -3.733 1.00 0.00 N ATOM 1151 CA THR A 72 2.333 9.812 -2.497 1.00 0.00 C ATOM 1152 C THR A 72 0.838 10.032 -2.669 1.00 0.00 C ATOM 1153 O THR A 72 0.382 10.419 -3.752 1.00 0.00 O ATOM 1154 CB THR A 72 2.981 11.116 -1.975 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.838 12.158 -2.953 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.460 10.910 -1.684 1.00 0.00 C ATOM 0 H THR A 72 2.899 10.086 -4.481 1.00 0.00 H new ATOM 0 HA THR A 72 2.496 9.015 -1.771 1.00 0.00 H new ATOM 0 HB THR A 72 2.475 11.398 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.249 12.982 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.892 11.842 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.577 10.134 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.972 10.607 -2.597 1.00 0.00 H new ATOM 1164 N PRO A 73 0.049 9.819 -1.597 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.400 10.029 -1.632 1.00 0.00 C ATOM 1166 C PRO A 73 -1.747 11.489 -1.939 1.00 0.00 C ATOM 1167 O PRO A 73 -2.865 11.813 -2.329 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.859 9.659 -0.211 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.631 9.727 0.625 1.00 0.00 C ATOM 1170 CD PRO A 73 0.505 9.350 -0.276 1.00 0.00 C ATOM 0 HA PRO A 73 -1.883 9.437 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.620 10.351 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.298 8.662 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.491 10.729 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.699 9.046 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.436 9.832 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.686 8.275 -0.270 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.770 12.365 -1.776 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.953 13.784 -2.043 1.00 0.00 C ATOM 1180 C ALA A 74 -0.822 14.078 -3.526 1.00 0.00 C ATOM 1181 O ALA A 74 -1.293 15.102 -4.015 1.00 0.00 O ATOM 1182 CB ALA A 74 0.066 14.600 -1.271 1.00 0.00 C ATOM 0 H ALA A 74 0.166 12.117 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.957 14.060 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.082 15.659 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.057 14.420 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.071 14.308 -1.574 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.180 13.179 -4.245 1.00 0.00 N ATOM 1189 CA GLN A 75 0.048 13.361 -5.654 1.00 0.00 C ATOM 1190 C GLN A 75 -1.240 13.129 -6.437 1.00 0.00 C ATOM 1191 O GLN A 75 -1.680 13.979 -7.209 1.00 0.00 O ATOM 1192 CB GLN A 75 1.123 12.388 -6.127 1.00 0.00 C ATOM 1193 CG GLN A 75 1.972 12.926 -7.245 1.00 0.00 C ATOM 1194 CD GLN A 75 2.928 13.999 -6.773 1.00 0.00 C ATOM 1195 OE1 GLN A 75 2.592 15.181 -6.763 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.125 13.594 -6.387 1.00 0.00 N ATOM 0 H GLN A 75 0.194 12.309 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 75 0.381 14.384 -5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.766 12.132 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.646 11.465 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.538 12.110 -7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.328 13.333 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.360 12.602 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.814 14.274 -6.064 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.849 11.978 -6.219 1.00 0.00 N ATOM 1206 CA LEU A 76 -3.071 11.605 -6.930 1.00 0.00 C ATOM 1207 C LEU A 76 -4.340 12.043 -6.180 1.00 0.00 C ATOM 1208 O LEU A 76 -5.449 11.631 -6.531 1.00 0.00 O ATOM 1209 CB LEU A 76 -3.105 10.088 -7.223 1.00 0.00 C ATOM 1210 CG LEU A 76 -3.404 9.138 -6.042 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -3.464 7.705 -6.533 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.362 9.264 -4.941 1.00 0.00 C ATOM 0 H LEU A 76 -1.520 11.279 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.057 12.140 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.855 9.912 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.141 9.806 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.369 9.423 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.675 7.042 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.253 7.609 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.507 7.433 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.607 8.580 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.379 9.015 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.353 10.287 -4.564 1.00 0.00 H new ATOM 1224 N GLU A 77 -4.175 12.896 -5.160 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.307 13.412 -4.362 1.00 0.00 C ATOM 1226 C GLU A 77 -6.111 12.277 -3.736 1.00 0.00 C ATOM 1227 O GLU A 77 -7.335 12.208 -3.874 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.230 14.291 -5.218 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.576 15.551 -5.749 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.069 16.456 -4.649 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.897 17.069 -3.944 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -3.837 16.572 -4.492 1.00 0.00 O ATOM 0 H GLU A 77 -3.265 13.248 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.885 14.019 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.594 13.702 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.100 14.570 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.746 15.277 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.294 16.097 -6.361 1.00 0.00 H new ATOM 1239 N MET A 78 -5.431 11.400 -3.037 1.00 0.00 N ATOM 1240 CA MET A 78 -6.069 10.269 -2.399 1.00 0.00 C ATOM 1241 C MET A 78 -6.662 10.700 -1.079 1.00 0.00 C ATOM 1242 O MET A 78 -6.037 11.448 -0.326 1.00 0.00 O ATOM 1243 CB MET A 78 -5.042 9.171 -2.170 1.00 0.00 C ATOM 1244 CG MET A 78 -5.465 7.808 -2.675 1.00 0.00 C ATOM 1245 SD MET A 78 -4.071 6.685 -2.808 1.00 0.00 S ATOM 1246 CE MET A 78 -4.819 5.346 -3.712 1.00 0.00 C ATOM 0 H MET A 78 -4.422 11.448 -2.893 1.00 0.00 H new ATOM 0 HA MET A 78 -6.864 9.890 -3.041 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.110 9.454 -2.659 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.833 9.101 -1.102 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.209 7.385 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.941 7.913 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.040 4.734 -4.167 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.411 4.733 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.465 5.750 -4.492 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.863 10.247 -0.797 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.537 10.590 0.440 1.00 0.00 C ATOM 1258 C GLU A 79 -8.497 9.428 1.400 1.00 0.00 C ATOM 1259 O GLU A 79 -7.879 8.402 1.125 1.00 0.00 O ATOM 1260 CB GLU A 79 -9.980 10.976 0.155 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.104 12.194 -0.724 1.00 0.00 C ATOM 1262 CD GLU A 79 -9.767 13.488 0.009 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -8.670 13.587 0.599 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -10.601 14.416 -0.007 1.00 0.00 O ATOM 0 H GLU A 79 -8.399 9.635 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.023 11.437 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.486 10.137 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.493 11.162 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.442 12.085 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.121 12.255 -1.111 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.152 9.576 2.530 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.192 8.517 3.504 1.00 0.00 C ATOM 1273 C ASP A 80 -10.220 7.481 3.111 1.00 0.00 C ATOM 1274 O ASP A 80 -11.183 7.771 2.394 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.493 9.051 4.908 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.867 9.680 5.021 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.134 10.669 4.311 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.674 9.200 5.835 1.00 0.00 O ATOM 0 H ASP A 80 -9.662 10.419 2.794 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.206 8.054 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.413 8.235 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.738 9.789 5.179 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.993 6.268 3.573 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.850 5.123 3.300 1.00 0.00 C ATOM 1285 C GLU A 81 -10.870 4.800 1.805 1.00 0.00 C ATOM 1286 O GLU A 81 -11.760 4.099 1.309 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.261 5.341 3.858 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.269 5.697 5.335 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.633 5.547 5.968 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -14.061 4.398 6.208 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -14.275 6.577 6.249 1.00 0.00 O ATOM 0 H GLU A 81 -9.191 6.042 4.162 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.434 4.257 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.749 6.137 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.850 4.436 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.558 5.060 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.928 6.725 5.458 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.866 5.305 1.094 1.00 0.00 N ATOM 1299 CA ASP A 82 -9.706 5.044 -0.326 1.00 0.00 C ATOM 1300 C ASP A 82 -9.050 3.668 -0.486 1.00 0.00 C ATOM 1301 O ASP A 82 -8.408 3.176 0.448 1.00 0.00 O ATOM 1302 CB ASP A 82 -8.855 6.159 -0.972 1.00 0.00 C ATOM 1303 CG ASP A 82 -8.862 6.115 -2.480 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -8.036 5.399 -3.055 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -9.697 6.821 -3.097 1.00 0.00 O ATOM 0 H ASP A 82 -9.143 5.906 1.489 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.672 5.040 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.227 7.129 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.828 6.074 -0.617 1.00 0.00 H new ATOM 1310 N THR A 83 -9.208 3.028 -1.629 1.00 0.00 N ATOM 1311 CA THR A 83 -8.712 1.666 -1.788 1.00 0.00 C ATOM 1312 C THR A 83 -7.869 1.486 -3.064 1.00 0.00 C ATOM 1313 O THR A 83 -8.124 2.104 -4.086 1.00 0.00 O ATOM 1314 CB THR A 83 -9.891 0.661 -1.776 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.710 0.901 -0.623 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.391 -0.778 -1.736 1.00 0.00 C ATOM 0 H THR A 83 -9.668 3.418 -2.452 1.00 0.00 H new ATOM 0 HA THR A 83 -8.054 1.466 -0.942 1.00 0.00 H new ATOM 0 HB THR A 83 -10.467 0.804 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.457 0.267 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.242 -1.459 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.777 -0.974 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.796 -0.931 -0.836 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.883 0.597 -2.983 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.966 0.314 -4.084 1.00 0.00 C ATOM 1326 C ILE A 84 -6.216 -1.097 -4.627 1.00 0.00 C ATOM 1327 O ILE A 84 -6.453 -2.025 -3.861 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.471 0.421 -3.631 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.087 1.864 -3.269 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.534 -0.122 -4.698 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.515 2.297 -1.879 1.00 0.00 C ATOM 0 H ILE A 84 -6.696 0.048 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.151 1.056 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.366 -0.189 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.006 1.971 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.532 2.540 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.503 -0.035 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.766 -1.170 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.660 0.449 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.204 3.327 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.599 2.226 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.049 1.649 -1.137 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.156 -1.260 -5.947 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.360 -2.563 -6.589 1.00 0.00 C ATOM 1345 C ASP A 85 -5.033 -3.273 -6.818 1.00 0.00 C ATOM 1346 O ASP A 85 -4.123 -2.727 -7.438 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.084 -2.413 -7.934 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.572 -2.220 -7.792 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.286 -3.224 -7.562 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.046 -1.070 -7.933 1.00 0.00 O ATOM 0 H ASP A 85 -5.966 -0.500 -6.601 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.977 -3.158 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.664 -1.563 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.896 -3.299 -8.541 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.907 -4.479 -6.307 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.698 -5.263 -6.502 1.00 0.00 C ATOM 1357 C VAL A 86 -3.944 -6.452 -7.434 1.00 0.00 C ATOM 1358 O VAL A 86 -4.967 -7.144 -7.337 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.129 -5.759 -5.150 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.052 -6.807 -5.362 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.575 -4.593 -4.362 1.00 0.00 C ATOM 0 H VAL A 86 -5.626 -4.942 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.964 -4.607 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.941 -6.218 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.670 -7.137 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.473 -7.659 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.238 -6.379 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.177 -4.952 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.778 -4.114 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.370 -3.871 -4.173 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.980 -6.718 -8.309 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.085 -7.792 -9.298 1.00 0.00 C ATOM 1373 C PHE A 87 -1.807 -8.626 -9.291 1.00 0.00 C ATOM 1374 O PHE A 87 -0.755 -8.150 -8.860 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.326 -7.212 -10.698 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.536 -6.327 -10.783 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.441 -4.980 -10.488 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.768 -6.844 -11.147 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.545 -4.163 -10.553 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.881 -6.031 -11.215 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.770 -4.687 -10.917 1.00 0.00 C ATOM 0 H PHE A 87 -2.104 -6.198 -8.355 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.931 -8.428 -9.037 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.448 -6.642 -11.002 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.436 -8.032 -11.408 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.486 -4.563 -10.202 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.859 -7.895 -11.380 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.454 -3.112 -10.320 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.837 -6.445 -11.501 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.639 -4.047 -10.968 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.891 -9.870 -9.748 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.732 -10.760 -9.778 1.00 0.00 C ATOM 1393 C GLN A 88 -0.241 -11.003 -11.198 1.00 0.00 C ATOM 1394 O GLN A 88 -0.964 -11.541 -12.039 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.048 -12.106 -9.119 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.813 -12.160 -7.620 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.787 -11.322 -6.827 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.857 -11.786 -6.458 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.419 -10.093 -6.543 1.00 0.00 N ATOM 0 H GLN A 88 -2.751 -10.288 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 88 0.057 -10.259 -9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.091 -12.354 -9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.441 -12.877 -9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.882 -13.195 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.201 -11.823 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.518 -9.742 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.034 -9.490 -5.997 1.00 0.00 H new ATOM 1408 N GLN A 89 0.975 -10.590 -11.466 1.00 0.00 N ATOM 1409 CA GLN A 89 1.610 -10.834 -12.744 1.00 0.00 C ATOM 1410 C GLN A 89 2.806 -11.769 -12.564 1.00 0.00 C ATOM 1411 O GLN A 89 3.028 -12.299 -11.472 1.00 0.00 O ATOM 1412 CB GLN A 89 2.023 -9.517 -13.417 1.00 0.00 C ATOM 1413 CG GLN A 89 2.888 -8.613 -12.549 1.00 0.00 C ATOM 1414 CD GLN A 89 2.411 -7.174 -12.527 1.00 0.00 C ATOM 1415 OE1 GLN A 89 3.214 -6.242 -12.415 1.00 0.00 O ATOM 1416 NE2 GLN A 89 1.106 -6.975 -12.596 1.00 0.00 N ATOM 0 H GLN A 89 1.555 -10.074 -10.804 1.00 0.00 H new ATOM 0 HA GLN A 89 0.891 -11.320 -13.404 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.565 -9.746 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.124 -8.972 -13.705 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.900 -9.001 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.915 -8.643 -12.914 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.473 -7.770 -12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.732 -6.027 -12.557 1.00 0.00 H new ATOM 1425 N GLN A 90 3.590 -11.953 -13.628 1.00 0.00 N ATOM 1426 CA GLN A 90 4.715 -12.899 -13.641 1.00 0.00 C ATOM 1427 C GLN A 90 4.273 -14.301 -13.208 1.00 0.00 C ATOM 1428 O GLN A 90 5.082 -15.108 -12.737 1.00 0.00 O ATOM 1429 CB GLN A 90 5.876 -12.401 -12.772 1.00 0.00 C ATOM 1430 CG GLN A 90 6.754 -11.354 -13.449 1.00 0.00 C ATOM 1431 CD GLN A 90 6.030 -10.055 -13.725 1.00 0.00 C ATOM 1432 OE1 GLN A 90 5.418 -9.877 -14.778 1.00 0.00 O ATOM 1433 NE2 GLN A 90 6.103 -9.135 -12.791 1.00 0.00 N ATOM 0 H GLN A 90 3.465 -11.451 -14.507 1.00 0.00 H new ATOM 0 HA GLN A 90 5.070 -12.963 -14.669 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.472 -11.981 -11.851 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.496 -13.252 -12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.620 -11.153 -12.818 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.131 -11.758 -14.388 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.620 -9.321 -11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.643 -8.235 -12.925 1.00 0.00 H new ATOM 1442 N THR A 91 2.994 -14.594 -13.393 1.00 0.00 N ATOM 1443 CA THR A 91 2.435 -15.877 -13.028 1.00 0.00 C ATOM 1444 C THR A 91 2.906 -16.952 -13.990 1.00 0.00 C ATOM 1445 O THR A 91 3.413 -18.004 -13.589 1.00 0.00 O ATOM 1446 CB THR A 91 0.895 -15.822 -13.048 1.00 0.00 C ATOM 1447 OG1 THR A 91 0.448 -14.635 -12.379 1.00 0.00 O ATOM 1448 CG2 THR A 91 0.298 -17.040 -12.361 1.00 0.00 C ATOM 0 H THR A 91 2.319 -13.946 -13.800 1.00 0.00 H new ATOM 0 HA THR A 91 2.774 -16.117 -12.020 1.00 0.00 H new ATOM 0 HB THR A 91 0.566 -15.812 -14.087 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.531 -14.600 -12.394 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.790 -16.977 -12.389 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.622 -17.944 -12.877 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.633 -17.074 -11.324 1.00 0.00 H new ATOM 1456 N GLY A 92 2.746 -16.678 -15.259 1.00 0.00 N ATOM 1457 CA GLY A 92 3.131 -17.612 -16.279 1.00 0.00 C ATOM 1458 C GLY A 92 2.003 -17.848 -17.244 1.00 0.00 C ATOM 1459 O GLY A 92 2.061 -17.438 -18.402 1.00 0.00 O ATOM 0 H GLY A 92 2.348 -15.807 -15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.001 -17.232 -16.816 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.426 -18.556 -15.821 1.00 0.00 H new ATOM 1463 N GLY A 93 0.953 -18.482 -16.771 1.00 0.00 N ATOM 1464 CA GLY A 93 -0.190 -18.744 -17.596 1.00 0.00 C ATOM 1465 C GLY A 93 -1.331 -19.289 -16.784 1.00 0.00 C ATOM 1466 O GLY A 93 -1.382 -19.003 -15.574 1.00 0.00 O ATOM 1467 OXT GLY A 93 -2.186 -19.992 -17.348 1.00 0.00 O ATOM 0 H GLY A 93 0.874 -18.824 -15.814 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.501 -17.826 -18.094 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.077 -19.456 -18.377 1.00 0.00 H new TER 1471 GLY A 93