USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 48:sc= -0.464 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.5! K(o=-3!,f=-0.62) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0748 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.032 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.014) USER MOD Single : A 10 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.022) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 20 THR OG1 : rot 37:sc= 0.22 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0175 (180deg=-0.176) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.297) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 168:sc= -0.889 USER MOD Single : A 47 ASN : amide:sc= -0.0071 K(o=-0.0071,f=-0.99) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-7.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.81 K(o=0.81,f=-10!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.23) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.439 30.472 -60.885 1.00 0.00 N ATOM 2 CA GLY A 1 0.182 30.971 -59.547 1.00 0.00 C ATOM 3 C GLY A 1 -1.285 30.893 -59.172 1.00 0.00 C ATOM 4 O GLY A 1 -2.149 30.776 -60.040 1.00 0.00 O ATOM 0 H1 GLY A 1 0.929 29.557 -60.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.462 30.350 -61.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.035 31.151 -61.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.768 30.397 -58.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.517 32.006 -59.478 1.00 0.00 H new ATOM 8 N SER A 2 -1.566 30.956 -57.874 1.00 0.00 N ATOM 9 CA SER A 2 -2.938 30.886 -57.385 1.00 0.00 C ATOM 10 C SER A 2 -2.988 31.104 -55.876 1.00 0.00 C ATOM 11 O SER A 2 -1.984 30.948 -55.181 1.00 0.00 O ATOM 12 CB SER A 2 -3.559 29.533 -57.737 1.00 0.00 C ATOM 13 OG SER A 2 -2.888 28.476 -57.072 1.00 0.00 O ATOM 0 H SER A 2 -0.862 31.055 -57.143 1.00 0.00 H new ATOM 0 HA SER A 2 -3.511 31.677 -57.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.613 29.530 -57.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.512 29.377 -58.815 1.00 0.00 H new ATOM 0 HG SER A 2 -3.305 27.622 -57.312 1.00 0.00 H new ATOM 19 N SER A 3 -4.165 31.467 -55.376 1.00 0.00 N ATOM 20 CA SER A 3 -4.347 31.711 -53.950 1.00 0.00 C ATOM 21 C SER A 3 -5.828 31.829 -53.604 1.00 0.00 C ATOM 22 O SER A 3 -6.684 31.850 -54.487 1.00 0.00 O ATOM 23 CB SER A 3 -3.611 32.986 -53.531 1.00 0.00 C ATOM 24 OG SER A 3 -3.343 32.986 -52.139 1.00 0.00 O ATOM 0 H SER A 3 -5.006 31.599 -55.937 1.00 0.00 H new ATOM 0 HA SER A 3 -3.930 30.864 -53.405 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.676 33.068 -54.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.212 33.858 -53.789 1.00 0.00 H new ATOM 0 HG SER A 3 -2.871 33.810 -51.897 1.00 0.00 H new ATOM 30 N GLY A 4 -6.123 31.906 -52.309 1.00 0.00 N ATOM 31 CA GLY A 4 -7.501 32.021 -51.868 1.00 0.00 C ATOM 32 C GLY A 4 -7.807 31.123 -50.685 1.00 0.00 C ATOM 33 O GLY A 4 -7.194 30.068 -50.523 1.00 0.00 O ATOM 0 H GLY A 4 -5.433 31.891 -51.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.708 33.056 -51.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.166 31.768 -52.694 1.00 0.00 H new ATOM 37 N SER A 5 -8.757 31.543 -49.856 1.00 0.00 N ATOM 38 CA SER A 5 -9.139 30.773 -48.678 1.00 0.00 C ATOM 39 C SER A 5 -10.330 31.414 -47.972 1.00 0.00 C ATOM 40 O SER A 5 -10.815 32.469 -48.383 1.00 0.00 O ATOM 41 CB SER A 5 -7.959 30.659 -47.712 1.00 0.00 C ATOM 42 OG SER A 5 -8.162 29.611 -46.780 1.00 0.00 O ATOM 0 H SER A 5 -9.276 32.412 -49.978 1.00 0.00 H new ATOM 0 HA SER A 5 -9.428 29.774 -49.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.042 30.478 -48.273 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.827 31.602 -47.181 1.00 0.00 H new ATOM 0 HG SER A 5 -7.393 29.558 -46.175 1.00 0.00 H new ATOM 48 N SER A 6 -10.796 30.770 -46.907 1.00 0.00 N ATOM 49 CA SER A 6 -11.932 31.274 -46.145 1.00 0.00 C ATOM 50 C SER A 6 -12.119 30.478 -44.857 1.00 0.00 C ATOM 51 O SER A 6 -11.396 29.517 -44.598 1.00 0.00 O ATOM 52 CB SER A 6 -13.207 31.210 -46.987 1.00 0.00 C ATOM 53 OG SER A 6 -13.543 29.870 -47.303 1.00 0.00 O ATOM 0 H SER A 6 -10.404 29.898 -46.552 1.00 0.00 H new ATOM 0 HA SER A 6 -11.730 32.313 -45.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.029 31.676 -46.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.069 31.780 -47.906 1.00 0.00 H new ATOM 0 HG SER A 6 -14.363 29.856 -47.840 1.00 0.00 H new ATOM 59 N GLY A 7 -13.096 30.886 -44.053 1.00 0.00 N ATOM 60 CA GLY A 7 -13.361 30.201 -42.801 1.00 0.00 C ATOM 61 C GLY A 7 -14.642 30.674 -42.142 1.00 0.00 C ATOM 62 O GLY A 7 -14.692 31.770 -41.584 1.00 0.00 O ATOM 0 H GLY A 7 -13.709 31.678 -44.246 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.424 29.128 -42.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.525 30.360 -42.119 1.00 0.00 H new ATOM 66 N ILE A 8 -15.679 29.846 -42.207 1.00 0.00 N ATOM 67 CA ILE A 8 -16.965 30.186 -41.611 1.00 0.00 C ATOM 68 C ILE A 8 -17.464 29.067 -40.704 1.00 0.00 C ATOM 69 O ILE A 8 -17.443 27.894 -41.077 1.00 0.00 O ATOM 70 CB ILE A 8 -18.028 30.469 -42.690 1.00 0.00 C ATOM 71 CG1 ILE A 8 -17.624 31.684 -43.528 1.00 0.00 C ATOM 72 CG2 ILE A 8 -19.389 30.691 -42.047 1.00 0.00 C ATOM 73 CD1 ILE A 8 -17.379 32.931 -42.706 1.00 0.00 C ATOM 0 H ILE A 8 -15.654 28.935 -42.666 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.810 31.088 -41.019 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.096 29.603 -43.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.720 31.445 -44.088 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.407 31.888 -44.258 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -20.129 30.890 -42.822 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -19.678 29.800 -41.489 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -19.336 31.542 -41.369 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -17.097 33.752 -43.365 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.288 33.195 -42.166 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.575 32.745 -41.994 1.00 0.00 H new ATOM 85 N HIS A 9 -17.916 29.438 -39.509 1.00 0.00 N ATOM 86 CA HIS A 9 -18.423 28.466 -38.548 1.00 0.00 C ATOM 87 C HIS A 9 -19.297 29.145 -37.498 1.00 0.00 C ATOM 88 O HIS A 9 -19.143 30.335 -37.223 1.00 0.00 O ATOM 89 CB HIS A 9 -17.264 27.736 -37.869 1.00 0.00 C ATOM 90 CG HIS A 9 -16.475 28.601 -36.936 1.00 0.00 C ATOM 91 ND1 HIS A 9 -16.349 28.336 -35.588 1.00 0.00 N ATOM 92 CD2 HIS A 9 -15.769 29.734 -37.162 1.00 0.00 C ATOM 93 CE1 HIS A 9 -15.600 29.268 -35.026 1.00 0.00 C ATOM 94 NE2 HIS A 9 -15.235 30.128 -35.960 1.00 0.00 N ATOM 0 H HIS A 9 -17.941 30.405 -39.184 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.032 27.741 -39.089 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.657 26.883 -37.315 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -16.597 27.339 -38.635 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.648 30.235 -38.111 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.332 29.318 -33.981 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.651 30.951 -35.812 1.00 0.00 H new ATOM 102 N HIS A 10 -20.215 28.380 -36.915 1.00 0.00 N ATOM 103 CA HIS A 10 -21.114 28.909 -35.895 1.00 0.00 C ATOM 104 C HIS A 10 -21.716 27.780 -35.064 1.00 0.00 C ATOM 105 O HIS A 10 -22.286 26.832 -35.606 1.00 0.00 O ATOM 106 CB HIS A 10 -22.228 29.731 -36.543 1.00 0.00 C ATOM 107 CG HIS A 10 -22.570 29.287 -37.932 1.00 0.00 C ATOM 108 ND1 HIS A 10 -22.681 30.158 -38.995 1.00 0.00 N ATOM 109 CD2 HIS A 10 -22.823 28.054 -38.431 1.00 0.00 C ATOM 110 CE1 HIS A 10 -22.990 29.481 -40.086 1.00 0.00 C ATOM 111 NE2 HIS A 10 -23.081 28.202 -39.771 1.00 0.00 N ATOM 0 H HIS A 10 -20.356 27.393 -37.131 1.00 0.00 H new ATOM 0 HA HIS A 10 -20.535 29.554 -35.234 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.121 29.671 -35.921 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -21.927 30.778 -36.569 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -22.822 27.127 -37.878 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -23.142 29.902 -41.069 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -23.306 27.447 -40.418 1.00 0.00 H new ATOM 119 N LEU A 11 -21.586 27.887 -33.746 1.00 0.00 N ATOM 120 CA LEU A 11 -22.117 26.875 -32.840 1.00 0.00 C ATOM 121 C LEU A 11 -22.026 27.340 -31.390 1.00 0.00 C ATOM 122 O LEU A 11 -21.008 27.873 -30.947 1.00 0.00 O ATOM 123 CB LEU A 11 -21.359 25.558 -33.014 1.00 0.00 C ATOM 124 CG LEU A 11 -22.013 24.320 -32.399 1.00 0.00 C ATOM 125 CD1 LEU A 11 -23.156 23.830 -33.273 1.00 0.00 C ATOM 126 CD2 LEU A 11 -20.983 23.218 -32.196 1.00 0.00 C ATOM 0 H LEU A 11 -21.117 28.665 -33.281 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.167 26.718 -33.086 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.221 25.379 -34.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.366 25.673 -32.579 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.420 24.593 -31.425 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -23.609 22.949 -32.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.905 24.616 -33.366 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -22.774 23.574 -34.261 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.466 22.345 -31.758 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.546 22.947 -33.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.198 23.572 -31.528 1.00 0.00 H new ATOM 138 N PRO A 12 -23.113 27.133 -30.632 1.00 0.00 N ATOM 139 CA PRO A 12 -23.179 27.521 -29.220 1.00 0.00 C ATOM 140 C PRO A 12 -22.280 26.660 -28.340 1.00 0.00 C ATOM 141 O PRO A 12 -21.883 25.554 -28.709 1.00 0.00 O ATOM 142 CB PRO A 12 -24.650 27.300 -28.860 1.00 0.00 C ATOM 143 CG PRO A 12 -25.124 26.266 -29.822 1.00 0.00 C ATOM 144 CD PRO A 12 -24.361 26.503 -31.095 1.00 0.00 C ATOM 0 HA PRO A 12 -22.836 28.544 -29.062 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -24.759 26.962 -27.830 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -25.224 28.222 -28.955 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -24.940 25.263 -29.438 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.198 26.352 -29.989 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.168 25.572 -31.627 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.910 27.152 -31.778 1.00 0.00 H new ATOM 152 N PRO A 13 -21.950 27.175 -27.146 1.00 0.00 N ATOM 153 CA PRO A 13 -21.095 26.469 -26.188 1.00 0.00 C ATOM 154 C PRO A 13 -21.786 25.252 -25.581 1.00 0.00 C ATOM 155 O PRO A 13 -23.012 25.143 -25.610 1.00 0.00 O ATOM 156 CB PRO A 13 -20.824 27.522 -25.111 1.00 0.00 C ATOM 157 CG PRO A 13 -21.983 28.454 -25.192 1.00 0.00 C ATOM 158 CD PRO A 13 -22.387 28.487 -26.640 1.00 0.00 C ATOM 0 HA PRO A 13 -20.193 26.078 -26.658 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -20.750 27.068 -24.123 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.884 28.043 -25.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.805 28.109 -24.565 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.709 29.449 -24.840 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -23.462 28.624 -26.754 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.903 29.305 -27.174 1.00 0.00 H new ATOM 166 N VAL A 14 -20.992 24.339 -25.031 1.00 0.00 N ATOM 167 CA VAL A 14 -21.528 23.131 -24.415 1.00 0.00 C ATOM 168 C VAL A 14 -21.021 22.971 -22.986 1.00 0.00 C ATOM 169 O VAL A 14 -19.821 23.066 -22.727 1.00 0.00 O ATOM 170 CB VAL A 14 -21.153 21.875 -25.225 1.00 0.00 C ATOM 171 CG1 VAL A 14 -21.661 20.621 -24.530 1.00 0.00 C ATOM 172 CG2 VAL A 14 -21.704 21.970 -26.640 1.00 0.00 C ATOM 0 H VAL A 14 -19.975 24.413 -24.999 1.00 0.00 H new ATOM 0 HA VAL A 14 -22.613 23.236 -24.402 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.066 21.814 -25.286 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -21.387 19.744 -25.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -21.215 20.549 -23.538 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.746 20.671 -24.437 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -21.430 21.075 -27.198 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.790 22.056 -26.603 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.287 22.848 -27.135 1.00 0.00 H new ATOM 182 N LYS A 15 -21.943 22.727 -22.061 1.00 0.00 N ATOM 183 CA LYS A 15 -21.591 22.551 -20.657 1.00 0.00 C ATOM 184 C LYS A 15 -22.383 21.404 -20.038 1.00 0.00 C ATOM 185 O LYS A 15 -23.277 20.842 -20.669 1.00 0.00 O ATOM 186 CB LYS A 15 -21.852 23.843 -19.880 1.00 0.00 C ATOM 187 CG LYS A 15 -20.882 24.962 -20.217 1.00 0.00 C ATOM 188 CD LYS A 15 -21.498 26.329 -19.966 1.00 0.00 C ATOM 189 CE LYS A 15 -22.285 26.815 -21.174 1.00 0.00 C ATOM 190 NZ LYS A 15 -23.363 27.766 -20.786 1.00 0.00 N ATOM 0 H LYS A 15 -22.940 22.647 -22.259 1.00 0.00 H new ATOM 0 HA LYS A 15 -20.530 22.308 -20.601 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -22.868 24.181 -20.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -21.794 23.633 -18.812 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.978 24.854 -19.618 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.583 24.883 -21.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.155 26.279 -19.098 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.712 27.046 -19.730 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.608 27.300 -21.877 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.723 25.961 -21.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.876 28.074 -21.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -24.023 27.295 -20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.943 28.593 -20.316 1.00 0.00 H new ATOM 204 N ALA A 16 -22.049 21.063 -18.797 1.00 0.00 N ATOM 205 CA ALA A 16 -22.731 19.985 -18.092 1.00 0.00 C ATOM 206 C ALA A 16 -22.692 20.206 -16.583 1.00 0.00 C ATOM 207 O ALA A 16 -21.796 20.862 -16.050 1.00 0.00 O ATOM 208 CB ALA A 16 -22.107 18.644 -18.447 1.00 0.00 C ATOM 0 H ALA A 16 -21.311 21.518 -18.260 1.00 0.00 H new ATOM 0 HA ALA A 16 -23.775 19.982 -18.406 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -22.626 17.848 -17.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -22.192 18.476 -19.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.055 18.645 -18.162 1.00 0.00 H new ATOM 214 N PRO A 17 -23.686 19.647 -15.877 1.00 0.00 N ATOM 215 CA PRO A 17 -23.787 19.770 -14.419 1.00 0.00 C ATOM 216 C PRO A 17 -22.699 18.985 -13.695 1.00 0.00 C ATOM 217 O PRO A 17 -22.268 17.928 -14.158 1.00 0.00 O ATOM 218 CB PRO A 17 -25.166 19.183 -14.109 1.00 0.00 C ATOM 219 CG PRO A 17 -25.442 18.247 -15.235 1.00 0.00 C ATOM 220 CD PRO A 17 -24.787 18.852 -16.446 1.00 0.00 C ATOM 0 HA PRO A 17 -23.663 20.801 -14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -25.168 18.662 -13.152 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -25.924 19.964 -14.049 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -25.038 17.256 -15.027 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -26.514 18.128 -15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -24.419 18.086 -17.128 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -25.482 19.474 -17.010 1.00 0.00 H new ATOM 228 N LEU A 18 -22.258 19.508 -12.556 1.00 0.00 N ATOM 229 CA LEU A 18 -21.220 18.855 -11.766 1.00 0.00 C ATOM 230 C LEU A 18 -21.384 19.171 -10.282 1.00 0.00 C ATOM 231 O LEU A 18 -21.120 20.290 -9.844 1.00 0.00 O ATOM 232 CB LEU A 18 -19.835 19.298 -12.242 1.00 0.00 C ATOM 233 CG LEU A 18 -19.191 18.435 -13.328 1.00 0.00 C ATOM 234 CD1 LEU A 18 -18.068 19.194 -14.017 1.00 0.00 C ATOM 235 CD2 LEU A 18 -18.673 17.132 -12.737 1.00 0.00 C ATOM 0 H LEU A 18 -22.603 20.382 -12.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.318 17.778 -11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.910 20.319 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.167 19.321 -11.381 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.950 18.196 -14.073 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.622 18.564 -14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.468 20.098 -14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.308 19.464 -13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.218 16.531 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.929 17.350 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.501 16.580 -12.291 1.00 0.00 H new ATOM 247 N GLN A 19 -21.821 18.177 -9.516 1.00 0.00 N ATOM 248 CA GLN A 19 -22.019 18.349 -8.082 1.00 0.00 C ATOM 249 C GLN A 19 -20.900 17.677 -7.293 1.00 0.00 C ATOM 250 O GLN A 19 -21.146 17.024 -6.278 1.00 0.00 O ATOM 251 CB GLN A 19 -23.372 17.774 -7.660 1.00 0.00 C ATOM 252 CG GLN A 19 -23.820 18.223 -6.278 1.00 0.00 C ATOM 253 CD GLN A 19 -24.360 19.639 -6.271 1.00 0.00 C ATOM 254 OE1 GLN A 19 -23.789 20.531 -5.642 1.00 0.00 O ATOM 255 NE2 GLN A 19 -25.467 19.855 -6.973 1.00 0.00 N ATOM 0 H GLN A 19 -22.045 17.245 -9.864 1.00 0.00 H new ATOM 0 HA GLN A 19 -22.002 19.417 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -24.126 18.068 -8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -23.317 16.686 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -24.589 17.543 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -22.979 18.156 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -25.908 19.087 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -25.876 20.789 -7.005 1.00 0.00 H new ATOM 264 N THR A 20 -19.668 17.840 -7.766 1.00 0.00 N ATOM 265 CA THR A 20 -18.511 17.248 -7.107 1.00 0.00 C ATOM 266 C THR A 20 -17.330 18.211 -7.100 1.00 0.00 C ATOM 267 O THR A 20 -16.864 18.646 -8.154 1.00 0.00 O ATOM 268 CB THR A 20 -18.085 15.935 -7.791 1.00 0.00 C ATOM 269 OG1 THR A 20 -17.890 16.154 -9.192 1.00 0.00 O ATOM 270 CG2 THR A 20 -19.133 14.852 -7.582 1.00 0.00 C ATOM 0 H THR A 20 -19.446 18.378 -8.604 1.00 0.00 H new ATOM 0 HA THR A 20 -18.808 17.034 -6.080 1.00 0.00 H new ATOM 0 HB THR A 20 -17.149 15.604 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.492 17.038 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.811 13.934 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.258 14.668 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.082 15.177 -8.007 1.00 0.00 H new ATOM 278 N LYS A 21 -16.847 18.540 -5.907 1.00 0.00 N ATOM 279 CA LYS A 21 -15.718 19.451 -5.762 1.00 0.00 C ATOM 280 C LYS A 21 -14.433 18.682 -5.468 1.00 0.00 C ATOM 281 O LYS A 21 -13.578 18.524 -6.340 1.00 0.00 O ATOM 282 CB LYS A 21 -15.989 20.459 -4.643 1.00 0.00 C ATOM 283 CG LYS A 21 -16.724 21.703 -5.111 1.00 0.00 C ATOM 284 CD LYS A 21 -15.764 22.743 -5.664 1.00 0.00 C ATOM 285 CE LYS A 21 -16.469 23.708 -6.605 1.00 0.00 C ATOM 286 NZ LYS A 21 -16.818 23.063 -7.901 1.00 0.00 N ATOM 0 H LYS A 21 -17.220 18.189 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.593 19.987 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.574 19.974 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.041 20.755 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.449 21.431 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.285 22.130 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.314 23.299 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.952 22.245 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.376 24.082 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.827 24.570 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.026 23.796 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.018 22.484 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.654 22.458 -7.774 1.00 0.00 H new ATOM 300 N LYS A 22 -14.304 18.204 -4.235 1.00 0.00 N ATOM 301 CA LYS A 22 -13.126 17.449 -3.826 1.00 0.00 C ATOM 302 C LYS A 22 -13.512 16.292 -2.911 1.00 0.00 C ATOM 303 O LYS A 22 -14.357 16.440 -2.027 1.00 0.00 O ATOM 304 CB LYS A 22 -12.130 18.366 -3.113 1.00 0.00 C ATOM 305 CG LYS A 22 -11.228 19.138 -4.061 1.00 0.00 C ATOM 306 CD LYS A 22 -10.748 20.439 -3.439 1.00 0.00 C ATOM 307 CE LYS A 22 -10.144 21.366 -4.482 1.00 0.00 C ATOM 308 NZ LYS A 22 -11.180 22.204 -5.146 1.00 0.00 N ATOM 0 H LYS A 22 -15.002 18.326 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.658 17.040 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.680 19.073 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.512 17.767 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.369 18.523 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.767 19.352 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.583 20.938 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.007 20.224 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.403 22.011 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.619 20.775 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.728 22.822 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.873 21.589 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.664 22.787 -4.434 1.00 0.00 H new ATOM 322 N LYS A 23 -12.888 15.139 -3.127 1.00 0.00 N ATOM 323 CA LYS A 23 -13.164 13.956 -2.320 1.00 0.00 C ATOM 324 C LYS A 23 -11.916 13.090 -2.180 1.00 0.00 C ATOM 325 O LYS A 23 -10.907 13.326 -2.846 1.00 0.00 O ATOM 326 CB LYS A 23 -14.297 13.140 -2.945 1.00 0.00 C ATOM 327 CG LYS A 23 -15.606 13.902 -3.057 1.00 0.00 C ATOM 328 CD LYS A 23 -16.725 13.015 -3.576 1.00 0.00 C ATOM 329 CE LYS A 23 -16.800 13.043 -5.095 1.00 0.00 C ATOM 330 NZ LYS A 23 -16.012 11.940 -5.710 1.00 0.00 N ATOM 0 H LYS A 23 -12.187 14.998 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.468 14.287 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.992 12.812 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.459 12.242 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.880 14.301 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.476 14.754 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.566 11.991 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.676 13.345 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.841 12.964 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.429 14.001 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.454 12.313 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.372 11.532 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.659 11.203 -6.057 1.00 0.00 H new ATOM 344 N ILE A 24 -11.992 12.086 -1.313 1.00 0.00 N ATOM 345 CA ILE A 24 -10.869 11.184 -1.089 1.00 0.00 C ATOM 346 C ILE A 24 -10.847 10.066 -2.126 1.00 0.00 C ATOM 347 O ILE A 24 -11.832 9.350 -2.303 1.00 0.00 O ATOM 348 CB ILE A 24 -10.919 10.561 0.319 1.00 0.00 C ATOM 349 CG1 ILE A 24 -10.843 11.655 1.386 1.00 0.00 C ATOM 350 CG2 ILE A 24 -9.787 9.561 0.496 1.00 0.00 C ATOM 351 CD1 ILE A 24 -12.194 12.213 1.777 1.00 0.00 C ATOM 0 H ILE A 24 -12.819 11.877 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.962 11.781 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.865 10.032 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.355 11.252 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.216 12.467 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.836 9.129 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.882 8.769 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.831 10.067 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.063 12.983 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.676 12.646 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.817 11.412 2.176 1.00 0.00 H new ATOM 363 N MET A 25 -9.716 9.922 -2.809 1.00 0.00 N ATOM 364 CA MET A 25 -9.564 8.889 -3.827 1.00 0.00 C ATOM 365 C MET A 25 -8.120 8.405 -3.899 1.00 0.00 C ATOM 366 O MET A 25 -7.184 9.178 -3.695 1.00 0.00 O ATOM 367 CB MET A 25 -10.005 9.420 -5.193 1.00 0.00 C ATOM 368 CG MET A 25 -11.506 9.344 -5.418 1.00 0.00 C ATOM 369 SD MET A 25 -11.973 9.725 -7.118 1.00 0.00 S ATOM 370 CE MET A 25 -13.226 8.478 -7.412 1.00 0.00 C ATOM 0 H MET A 25 -8.891 10.508 -2.676 1.00 0.00 H new ATOM 0 HA MET A 25 -10.198 8.046 -3.551 1.00 0.00 H new ATOM 0 HB2 MET A 25 -9.683 10.457 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.499 8.853 -5.975 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.857 8.344 -5.164 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.006 10.039 -4.743 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.613 8.583 -8.425 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.788 7.487 -7.292 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.040 8.604 -6.698 1.00 0.00 H new ATOM 380 N LYS A 26 -7.945 7.120 -4.190 1.00 0.00 N ATOM 381 CA LYS A 26 -6.615 6.532 -4.290 1.00 0.00 C ATOM 382 C LYS A 26 -6.373 5.967 -5.686 1.00 0.00 C ATOM 383 O LYS A 26 -7.306 5.530 -6.360 1.00 0.00 O ATOM 384 CB LYS A 26 -6.443 5.427 -3.245 1.00 0.00 C ATOM 385 CG LYS A 26 -6.042 5.944 -1.874 1.00 0.00 C ATOM 386 CD LYS A 26 -5.808 4.805 -0.896 1.00 0.00 C ATOM 387 CE LYS A 26 -5.617 5.320 0.523 1.00 0.00 C ATOM 388 NZ LYS A 26 -5.794 4.240 1.533 1.00 0.00 N ATOM 0 H LYS A 26 -8.709 6.466 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.883 7.318 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.378 4.874 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.688 4.723 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.135 6.543 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.822 6.601 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.655 4.119 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.928 4.238 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.620 5.750 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.331 6.120 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.656 4.631 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.753 3.846 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.096 3.488 1.363 1.00 0.00 H new ATOM 402 N HIS A 27 -5.115 5.978 -6.115 1.00 0.00 N ATOM 403 CA HIS A 27 -4.750 5.465 -7.431 1.00 0.00 C ATOM 404 C HIS A 27 -3.241 5.266 -7.538 1.00 0.00 C ATOM 405 O HIS A 27 -2.461 6.128 -7.132 1.00 0.00 O ATOM 406 CB HIS A 27 -5.230 6.420 -8.524 1.00 0.00 C ATOM 407 CG HIS A 27 -5.021 7.865 -8.192 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.996 8.654 -7.619 1.00 0.00 N ATOM 409 CD2 HIS A 27 -3.940 8.663 -8.353 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.524 9.875 -7.443 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.278 9.907 -7.880 1.00 0.00 N ATOM 0 H HIS A 27 -4.331 6.337 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.235 4.498 -7.565 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.706 6.190 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.291 6.247 -8.705 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.988 8.375 -8.775 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.065 10.706 -7.015 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.666 10.723 -7.868 1.00 0.00 H new ATOM 419 N CYS A 28 -2.837 4.125 -8.085 1.00 0.00 N ATOM 420 CA CYS A 28 -1.422 3.812 -8.245 1.00 0.00 C ATOM 421 C CYS A 28 -0.617 5.072 -8.547 1.00 0.00 C ATOM 422 O CYS A 28 -1.135 6.031 -9.121 1.00 0.00 O ATOM 423 CB CYS A 28 -1.228 2.788 -9.365 1.00 0.00 C ATOM 424 SG CYS A 28 0.505 2.293 -9.628 1.00 0.00 S ATOM 0 H CYS A 28 -3.470 3.401 -8.425 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.061 3.388 -7.308 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.818 1.900 -9.137 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.621 3.202 -10.293 1.00 0.00 H new ATOM 429 N PHE A 29 0.653 5.064 -8.157 1.00 0.00 N ATOM 430 CA PHE A 29 1.531 6.206 -8.385 1.00 0.00 C ATOM 431 C PHE A 29 2.372 6.003 -9.642 1.00 0.00 C ATOM 432 O PHE A 29 2.784 6.966 -10.289 1.00 0.00 O ATOM 433 CB PHE A 29 2.444 6.424 -7.177 1.00 0.00 C ATOM 434 CG PHE A 29 3.386 7.583 -7.339 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.901 8.855 -7.599 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.755 7.400 -7.230 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.766 9.923 -7.748 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.624 8.465 -7.378 1.00 0.00 C ATOM 439 CZ PHE A 29 5.129 9.728 -7.637 1.00 0.00 C ATOM 0 H PHE A 29 1.098 4.279 -7.681 1.00 0.00 H new ATOM 0 HA PHE A 29 0.908 7.089 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.829 6.587 -6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.023 5.517 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.836 9.013 -7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.148 6.415 -7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.376 10.910 -7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.689 8.309 -7.291 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.806 10.561 -7.753 1.00 0.00 H new ATOM 449 N LEU A 30 2.623 4.743 -9.982 1.00 0.00 N ATOM 450 CA LEU A 30 3.415 4.412 -11.161 1.00 0.00 C ATOM 451 C LEU A 30 2.637 4.705 -12.440 1.00 0.00 C ATOM 452 O LEU A 30 2.986 5.610 -13.199 1.00 0.00 O ATOM 453 CB LEU A 30 3.826 2.939 -11.127 1.00 0.00 C ATOM 454 CG LEU A 30 4.850 2.503 -12.176 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.174 3.219 -11.959 1.00 0.00 C ATOM 456 CD2 LEU A 30 5.045 0.995 -12.136 1.00 0.00 C ATOM 0 H LEU A 30 2.289 3.934 -9.458 1.00 0.00 H new ATOM 0 HA LEU A 30 4.311 5.033 -11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.231 2.718 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.930 2.330 -11.248 1.00 0.00 H new ATOM 0 HG LEU A 30 4.471 2.774 -13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.890 2.896 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.023 4.296 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.559 2.979 -10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.777 0.703 -12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.402 0.700 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.096 0.500 -12.341 1.00 0.00 H new ATOM 468 N CYS A 31 1.579 3.935 -12.672 1.00 0.00 N ATOM 469 CA CYS A 31 0.749 4.112 -13.858 1.00 0.00 C ATOM 470 C CYS A 31 -0.443 5.017 -13.557 1.00 0.00 C ATOM 471 O CYS A 31 -0.735 5.946 -14.308 1.00 0.00 O ATOM 472 CB CYS A 31 0.258 2.757 -14.369 1.00 0.00 C ATOM 473 SG CYS A 31 -0.833 1.874 -13.208 1.00 0.00 S ATOM 0 H CYS A 31 1.276 3.182 -12.054 1.00 0.00 H new ATOM 0 HA CYS A 31 1.357 4.585 -14.629 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.274 2.906 -15.308 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.122 2.129 -14.588 1.00 0.00 H new ATOM 478 N GLY A 32 -1.127 4.737 -12.452 1.00 0.00 N ATOM 479 CA GLY A 32 -2.279 5.534 -12.071 1.00 0.00 C ATOM 480 C GLY A 32 -3.568 4.737 -12.094 1.00 0.00 C ATOM 481 O GLY A 32 -4.654 5.302 -12.226 1.00 0.00 O ATOM 0 H GLY A 32 -0.904 3.973 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.123 5.938 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.369 6.384 -12.747 1.00 0.00 H new ATOM 485 N LYS A 33 -3.450 3.420 -11.966 1.00 0.00 N ATOM 486 CA LYS A 33 -4.615 2.543 -11.972 1.00 0.00 C ATOM 487 C LYS A 33 -5.594 2.930 -10.869 1.00 0.00 C ATOM 488 O LYS A 33 -5.191 3.401 -9.804 1.00 0.00 O ATOM 489 CB LYS A 33 -4.182 1.085 -11.796 1.00 0.00 C ATOM 490 CG LYS A 33 -5.344 0.110 -11.727 1.00 0.00 C ATOM 491 CD LYS A 33 -5.680 -0.456 -13.096 1.00 0.00 C ATOM 492 CE LYS A 33 -6.588 -1.671 -12.990 1.00 0.00 C ATOM 493 NZ LYS A 33 -5.811 -2.940 -12.919 1.00 0.00 N ATOM 0 H LYS A 33 -2.559 2.936 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.117 2.654 -12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.532 0.805 -12.625 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.591 0.998 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.096 -0.705 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.219 0.614 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.166 0.311 -13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.761 -0.732 -13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.215 -1.579 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.256 -1.702 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.466 -3.745 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.231 -3.041 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.192 -2.922 -12.083 1.00 0.00 H new ATOM 507 N LYS A 34 -6.881 2.728 -11.128 1.00 0.00 N ATOM 508 CA LYS A 34 -7.918 3.053 -10.157 1.00 0.00 C ATOM 509 C LYS A 34 -7.878 2.090 -8.974 1.00 0.00 C ATOM 510 O LYS A 34 -8.561 1.066 -8.970 1.00 0.00 O ATOM 511 CB LYS A 34 -9.298 3.008 -10.818 1.00 0.00 C ATOM 512 CG LYS A 34 -9.558 1.730 -11.596 1.00 0.00 C ATOM 513 CD LYS A 34 -11.032 1.362 -11.588 1.00 0.00 C ATOM 514 CE LYS A 34 -11.317 0.183 -12.505 1.00 0.00 C ATOM 515 NZ LYS A 34 -10.884 -1.107 -11.901 1.00 0.00 N ATOM 0 H LYS A 34 -7.231 2.340 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.731 4.062 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.063 3.118 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.397 3.860 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.219 1.854 -12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.976 0.915 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.341 1.117 -10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.624 2.221 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.384 0.142 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.803 0.330 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.096 -1.886 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.861 -1.078 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.393 -1.260 -11.007 1.00 0.00 H new ATOM 529 N THR A 35 -7.073 2.426 -7.971 1.00 0.00 N ATOM 530 CA THR A 35 -6.943 1.591 -6.783 1.00 0.00 C ATOM 531 C THR A 35 -7.846 2.089 -5.660 1.00 0.00 C ATOM 532 O THR A 35 -7.433 2.899 -4.831 1.00 0.00 O ATOM 533 CB THR A 35 -5.488 1.553 -6.279 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.016 2.885 -6.047 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.585 0.857 -7.285 1.00 0.00 C ATOM 0 H THR A 35 -6.501 3.271 -7.958 1.00 0.00 H new ATOM 0 HA THR A 35 -7.246 0.584 -7.070 1.00 0.00 H new ATOM 0 HB THR A 35 -5.464 0.992 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.680 3.381 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.563 0.842 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.930 -0.166 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.614 1.395 -8.233 1.00 0.00 H new ATOM 543 N GLY A 36 -9.082 1.599 -5.639 1.00 0.00 N ATOM 544 CA GLY A 36 -10.023 2.006 -4.612 1.00 0.00 C ATOM 545 C GLY A 36 -9.606 1.549 -3.228 1.00 0.00 C ATOM 546 O GLY A 36 -8.770 2.182 -2.583 1.00 0.00 O ATOM 0 H GLY A 36 -9.448 0.928 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.117 3.092 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.007 1.599 -4.844 1.00 0.00 H new ATOM 550 N LEU A 37 -10.190 0.447 -2.770 1.00 0.00 N ATOM 551 CA LEU A 37 -9.875 -0.094 -1.452 1.00 0.00 C ATOM 552 C LEU A 37 -9.252 -1.482 -1.568 1.00 0.00 C ATOM 553 O LEU A 37 -8.103 -1.691 -1.183 1.00 0.00 O ATOM 554 CB LEU A 37 -11.137 -0.159 -0.591 1.00 0.00 C ATOM 555 CG LEU A 37 -11.636 1.172 -0.030 1.00 0.00 C ATOM 556 CD1 LEU A 37 -13.013 1.006 0.595 1.00 0.00 C ATOM 557 CD2 LEU A 37 -10.650 1.725 0.989 1.00 0.00 C ATOM 0 H LEU A 37 -10.884 -0.089 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.153 0.570 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.936 -0.602 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.949 -0.834 0.244 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.716 1.883 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.352 1.964 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.716 0.656 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.960 0.279 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.022 2.673 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.538 1.016 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.683 1.883 0.511 1.00 0.00 H new ATOM 569 N ALA A 38 -10.020 -2.426 -2.103 1.00 0.00 N ATOM 570 CA ALA A 38 -9.542 -3.793 -2.274 1.00 0.00 C ATOM 571 C ALA A 38 -8.403 -3.854 -3.286 1.00 0.00 C ATOM 572 O ALA A 38 -7.377 -4.491 -3.044 1.00 0.00 O ATOM 573 CB ALA A 38 -10.684 -4.701 -2.706 1.00 0.00 C ATOM 0 H ALA A 38 -10.975 -2.269 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.159 -4.140 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.313 -5.718 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.465 -4.690 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.093 -4.346 -3.652 1.00 0.00 H new ATOM 579 N THR A 39 -8.589 -3.188 -4.421 1.00 0.00 N ATOM 580 CA THR A 39 -7.578 -3.168 -5.471 1.00 0.00 C ATOM 581 C THR A 39 -6.487 -2.148 -5.164 1.00 0.00 C ATOM 582 O THR A 39 -6.140 -1.324 -6.009 1.00 0.00 O ATOM 583 CB THR A 39 -8.199 -2.842 -6.842 1.00 0.00 C ATOM 584 OG1 THR A 39 -9.421 -3.568 -7.012 1.00 0.00 O ATOM 585 CG2 THR A 39 -7.236 -3.190 -7.968 1.00 0.00 C ATOM 0 H THR A 39 -9.431 -2.655 -4.637 1.00 0.00 H new ATOM 0 HA THR A 39 -7.139 -4.165 -5.507 1.00 0.00 H new ATOM 0 HB THR A 39 -8.405 -1.772 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.810 -3.354 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.696 -2.951 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.318 -2.614 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.004 -4.254 -7.932 1.00 0.00 H new ATOM 593 N SER A 40 -5.950 -2.210 -3.950 1.00 0.00 N ATOM 594 CA SER A 40 -4.900 -1.290 -3.531 1.00 0.00 C ATOM 595 C SER A 40 -3.895 -1.990 -2.620 1.00 0.00 C ATOM 596 O SER A 40 -4.263 -2.836 -1.806 1.00 0.00 O ATOM 597 CB SER A 40 -5.507 -0.085 -2.808 1.00 0.00 C ATOM 598 OG SER A 40 -6.608 0.440 -3.529 1.00 0.00 O ATOM 0 H SER A 40 -6.225 -2.888 -3.239 1.00 0.00 H new ATOM 0 HA SER A 40 -4.377 -0.945 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.830 -0.380 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.749 0.688 -2.682 1.00 0.00 H new ATOM 0 HG SER A 40 -7.095 1.076 -2.965 1.00 0.00 H new ATOM 604 N PHE A 41 -2.624 -1.630 -2.765 1.00 0.00 N ATOM 605 CA PHE A 41 -1.565 -2.223 -1.958 1.00 0.00 C ATOM 606 C PHE A 41 -0.592 -1.155 -1.467 1.00 0.00 C ATOM 607 O PHE A 41 -0.573 -0.036 -1.979 1.00 0.00 O ATOM 608 CB PHE A 41 -0.812 -3.283 -2.765 1.00 0.00 C ATOM 609 CG PHE A 41 -1.713 -4.296 -3.412 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.504 -3.948 -4.494 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.768 -5.596 -2.937 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.335 -4.878 -5.091 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.596 -6.531 -3.530 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.380 -6.171 -4.608 1.00 0.00 C ATOM 0 H PHE A 41 -2.303 -0.930 -3.434 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.026 -2.696 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.221 -2.789 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.112 -3.799 -2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.471 -2.938 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.157 -5.883 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.948 -4.594 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.630 -7.542 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.028 -6.900 -5.073 1.00 0.00 H new ATOM 624 N GLU A 42 0.214 -1.510 -0.471 1.00 0.00 N ATOM 625 CA GLU A 42 1.189 -0.581 0.089 1.00 0.00 C ATOM 626 C GLU A 42 2.609 -1.112 -0.084 1.00 0.00 C ATOM 627 O GLU A 42 2.842 -2.320 -0.042 1.00 0.00 O ATOM 628 CB GLU A 42 0.901 -0.339 1.573 1.00 0.00 C ATOM 629 CG GLU A 42 1.292 -1.504 2.466 1.00 0.00 C ATOM 630 CD GLU A 42 1.215 -1.159 3.941 1.00 0.00 C ATOM 631 OE1 GLU A 42 1.589 -0.026 4.306 1.00 0.00 O ATOM 632 OE2 GLU A 42 0.779 -2.024 4.730 1.00 0.00 O ATOM 0 H GLU A 42 0.211 -2.433 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 42 1.105 0.363 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.437 0.553 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.162 -0.136 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.637 -2.351 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.307 -1.819 2.223 1.00 0.00 H new ATOM 639 N CYS A 43 3.555 -0.200 -0.282 1.00 0.00 N ATOM 640 CA CYS A 43 4.952 -0.574 -0.463 1.00 0.00 C ATOM 641 C CYS A 43 5.795 -0.124 0.727 1.00 0.00 C ATOM 642 O CYS A 43 5.393 0.755 1.488 1.00 0.00 O ATOM 643 CB CYS A 43 5.503 0.039 -1.752 1.00 0.00 C ATOM 644 SG CYS A 43 7.155 -0.569 -2.219 1.00 0.00 S ATOM 0 H CYS A 43 3.379 0.804 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 43 5.005 -1.660 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.808 -0.168 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.546 1.122 -1.637 1.00 0.00 H new ATOM 649 N ARG A 44 6.966 -0.734 0.880 1.00 0.00 N ATOM 650 CA ARG A 44 7.865 -0.398 1.977 1.00 0.00 C ATOM 651 C ARG A 44 8.102 1.108 2.043 1.00 0.00 C ATOM 652 O ARG A 44 8.251 1.677 3.125 1.00 0.00 O ATOM 653 CB ARG A 44 9.199 -1.129 1.814 1.00 0.00 C ATOM 654 CG ARG A 44 9.057 -2.639 1.712 1.00 0.00 C ATOM 655 CD ARG A 44 10.270 -3.353 2.288 1.00 0.00 C ATOM 656 NE ARG A 44 10.474 -4.664 1.679 1.00 0.00 N ATOM 657 CZ ARG A 44 11.147 -5.649 2.263 1.00 0.00 C ATOM 658 NH1 ARG A 44 11.678 -5.472 3.466 1.00 0.00 N ATOM 659 NH2 ARG A 44 11.290 -6.814 1.645 1.00 0.00 N ATOM 0 H ARG A 44 7.314 -1.464 0.258 1.00 0.00 H new ATOM 0 HA ARG A 44 7.396 -0.716 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.700 -0.758 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.841 -0.889 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.160 -2.958 2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.928 -2.924 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.158 -2.740 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.145 -3.469 3.365 1.00 0.00 H new ATOM 0 HE ARG A 44 10.078 -4.833 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.570 -4.578 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.194 -6.230 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.883 -6.954 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.807 -7.570 2.094 1.00 0.00 H new ATOM 673 N CYS A 45 8.138 1.747 0.879 1.00 0.00 N ATOM 674 CA CYS A 45 8.359 3.186 0.803 1.00 0.00 C ATOM 675 C CYS A 45 7.132 3.951 1.291 1.00 0.00 C ATOM 676 O CYS A 45 7.252 4.981 1.953 1.00 0.00 O ATOM 677 CB CYS A 45 8.692 3.597 -0.633 1.00 0.00 C ATOM 678 SG CYS A 45 7.444 3.091 -1.859 1.00 0.00 S ATOM 0 H CYS A 45 8.017 1.291 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 45 9.201 3.434 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.806 4.680 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.654 3.165 -0.910 1.00 0.00 H new ATOM 683 N GLY A 46 5.951 3.439 0.959 1.00 0.00 N ATOM 684 CA GLY A 46 4.719 4.085 1.372 1.00 0.00 C ATOM 685 C GLY A 46 3.793 4.367 0.205 1.00 0.00 C ATOM 686 O GLY A 46 2.573 4.277 0.337 1.00 0.00 O ATOM 0 H GLY A 46 5.825 2.588 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.205 3.452 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.955 5.021 1.879 1.00 0.00 H new ATOM 690 N ASN A 47 4.374 4.710 -0.940 1.00 0.00 N ATOM 691 CA ASN A 47 3.592 5.009 -2.134 1.00 0.00 C ATOM 692 C ASN A 47 2.634 3.866 -2.456 1.00 0.00 C ATOM 693 O ASN A 47 2.969 2.695 -2.286 1.00 0.00 O ATOM 694 CB ASN A 47 4.518 5.263 -3.325 1.00 0.00 C ATOM 695 CG ASN A 47 5.440 6.446 -3.099 1.00 0.00 C ATOM 696 OD1 ASN A 47 5.203 7.271 -2.216 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.497 6.534 -3.898 1.00 0.00 N ATOM 0 H ASN A 47 5.383 4.788 -1.066 1.00 0.00 H new ATOM 0 HA ASN A 47 3.006 5.908 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.115 4.371 -3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.918 5.439 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.152 7.309 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.654 5.827 -4.616 1.00 0.00 H new ATOM 704 N ASN A 48 1.440 4.217 -2.924 1.00 0.00 N ATOM 705 CA ASN A 48 0.432 3.221 -3.270 1.00 0.00 C ATOM 706 C ASN A 48 0.509 2.860 -4.750 1.00 0.00 C ATOM 707 O ASN A 48 0.522 3.738 -5.614 1.00 0.00 O ATOM 708 CB ASN A 48 -0.967 3.741 -2.933 1.00 0.00 C ATOM 709 CG ASN A 48 -1.597 4.494 -4.088 1.00 0.00 C ATOM 710 OD1 ASN A 48 -1.241 5.639 -4.366 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.540 3.852 -4.768 1.00 0.00 N ATOM 0 H ASN A 48 1.147 5.183 -3.072 1.00 0.00 H new ATOM 0 HA ASN A 48 0.629 2.323 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.607 2.903 -2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.909 4.397 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.000 4.308 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.804 2.903 -4.502 1.00 0.00 H new ATOM 718 N PHE A 49 0.560 1.564 -5.036 1.00 0.00 N ATOM 719 CA PHE A 49 0.637 1.087 -6.412 1.00 0.00 C ATOM 720 C PHE A 49 -0.449 0.051 -6.690 1.00 0.00 C ATOM 721 O PHE A 49 -1.148 -0.392 -5.778 1.00 0.00 O ATOM 722 CB PHE A 49 2.015 0.484 -6.689 1.00 0.00 C ATOM 723 CG PHE A 49 3.143 1.459 -6.510 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.342 2.484 -7.420 1.00 0.00 C ATOM 725 CD2 PHE A 49 4.006 1.350 -5.431 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.378 3.384 -7.258 1.00 0.00 C ATOM 727 CE2 PHE A 49 5.044 2.247 -5.263 1.00 0.00 C ATOM 728 CZ PHE A 49 5.231 3.264 -6.178 1.00 0.00 C ATOM 0 H PHE A 49 0.549 0.825 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 49 0.481 1.938 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.171 -0.366 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.036 0.099 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.679 2.581 -8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.866 0.555 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.521 4.180 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.708 2.153 -4.417 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.043 3.965 -6.050 1.00 0.00 H new ATOM 738 N CYS A 50 -0.584 -0.331 -7.955 1.00 0.00 N ATOM 739 CA CYS A 50 -1.584 -1.313 -8.355 1.00 0.00 C ATOM 740 C CYS A 50 -1.102 -2.731 -8.062 1.00 0.00 C ATOM 741 O CYS A 50 0.065 -2.946 -7.735 1.00 0.00 O ATOM 742 CB CYS A 50 -1.904 -1.169 -9.845 1.00 0.00 C ATOM 743 SG CYS A 50 -0.458 -1.361 -10.937 1.00 0.00 S ATOM 0 H CYS A 50 -0.013 0.025 -8.721 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.489 -1.129 -7.776 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.654 -1.912 -10.118 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.349 -0.189 -10.017 1.00 0.00 H new ATOM 748 N ALA A 51 -2.009 -3.695 -8.182 1.00 0.00 N ATOM 749 CA ALA A 51 -1.676 -5.092 -7.932 1.00 0.00 C ATOM 750 C ALA A 51 -0.491 -5.535 -8.783 1.00 0.00 C ATOM 751 O ALA A 51 0.305 -6.376 -8.366 1.00 0.00 O ATOM 752 CB ALA A 51 -2.883 -5.979 -8.203 1.00 0.00 C ATOM 0 H ALA A 51 -2.980 -3.534 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.394 -5.190 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.620 -7.019 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.704 -5.686 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.191 -5.867 -9.243 1.00 0.00 H new ATOM 758 N SER A 52 -0.380 -4.964 -9.978 1.00 0.00 N ATOM 759 CA SER A 52 0.706 -5.303 -10.890 1.00 0.00 C ATOM 760 C SER A 52 1.989 -4.574 -10.503 1.00 0.00 C ATOM 761 O SER A 52 3.092 -5.075 -10.721 1.00 0.00 O ATOM 762 CB SER A 52 0.321 -4.952 -12.329 1.00 0.00 C ATOM 763 OG SER A 52 1.151 -5.627 -13.258 1.00 0.00 O ATOM 0 H SER A 52 -1.029 -4.264 -10.337 1.00 0.00 H new ATOM 0 HA SER A 52 0.883 -6.376 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.721 -5.220 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.403 -3.875 -12.478 1.00 0.00 H new ATOM 0 HG SER A 52 0.884 -5.387 -14.170 1.00 0.00 H new ATOM 769 N HIS A 53 1.835 -3.386 -9.926 1.00 0.00 N ATOM 770 CA HIS A 53 2.981 -2.586 -9.507 1.00 0.00 C ATOM 771 C HIS A 53 3.040 -2.477 -7.986 1.00 0.00 C ATOM 772 O HIS A 53 3.647 -1.553 -7.444 1.00 0.00 O ATOM 773 CB HIS A 53 2.910 -1.191 -10.127 1.00 0.00 C ATOM 774 CG HIS A 53 2.735 -1.205 -11.615 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.177 -0.157 -12.317 1.00 0.00 N ATOM 776 CD2 HIS A 53 3.050 -2.147 -12.534 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.155 -0.455 -13.604 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.679 -1.657 -13.763 1.00 0.00 N ATOM 0 H HIS A 53 0.929 -2.957 -9.738 1.00 0.00 H new ATOM 0 HA HIS A 53 3.887 -3.084 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.081 -0.644 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.822 -0.646 -9.882 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.508 -3.105 -12.338 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.773 0.177 -14.392 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.790 -2.142 -14.653 1.00 0.00 H new ATOM 786 N ARG A 54 2.406 -3.425 -7.305 1.00 0.00 N ATOM 787 CA ARG A 54 2.384 -3.434 -5.847 1.00 0.00 C ATOM 788 C ARG A 54 3.747 -3.832 -5.286 1.00 0.00 C ATOM 789 O ARG A 54 4.131 -3.401 -4.198 1.00 0.00 O ATOM 790 CB ARG A 54 1.311 -4.397 -5.337 1.00 0.00 C ATOM 791 CG ARG A 54 1.728 -5.858 -5.388 1.00 0.00 C ATOM 792 CD ARG A 54 0.544 -6.784 -5.161 1.00 0.00 C ATOM 793 NE ARG A 54 0.952 -8.064 -4.588 1.00 0.00 N ATOM 794 CZ ARG A 54 1.372 -8.208 -3.336 1.00 0.00 C ATOM 795 NH1 ARG A 54 1.438 -7.157 -2.531 1.00 0.00 N ATOM 796 NH2 ARG A 54 1.726 -9.405 -2.887 1.00 0.00 N ATOM 0 H ARG A 54 1.900 -4.197 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 54 2.149 -2.426 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.060 -4.136 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.406 -4.266 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.180 -6.075 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.489 -6.047 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.172 -6.301 -4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.033 -6.957 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 54 0.912 -8.893 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.166 -6.235 -2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.761 -7.270 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.676 -10.216 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.048 -9.514 -1.925 1.00 0.00 H new ATOM 810 N TYR A 55 4.471 -4.656 -6.035 1.00 0.00 N ATOM 811 CA TYR A 55 5.789 -5.114 -5.611 1.00 0.00 C ATOM 812 C TYR A 55 6.838 -4.025 -5.821 1.00 0.00 C ATOM 813 O TYR A 55 6.856 -3.356 -6.853 1.00 0.00 O ATOM 814 CB TYR A 55 6.186 -6.374 -6.381 1.00 0.00 C ATOM 815 CG TYR A 55 5.046 -7.349 -6.574 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.629 -8.174 -5.537 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.388 -7.447 -7.794 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.589 -9.067 -5.709 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.346 -8.335 -7.975 1.00 0.00 C ATOM 820 CZ TYR A 55 2.950 -9.144 -6.929 1.00 0.00 C ATOM 821 OH TYR A 55 1.914 -10.031 -7.106 1.00 0.00 O ATOM 0 H TYR A 55 4.168 -5.020 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 55 5.740 -5.346 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.576 -6.086 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.995 -6.875 -5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.126 -8.116 -4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.697 -6.817 -8.615 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.278 -9.702 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.844 -8.396 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 55 1.574 -9.958 -8.022 1.00 0.00 H new ATOM 831 N ALA A 56 7.710 -3.855 -4.833 1.00 0.00 N ATOM 832 CA ALA A 56 8.764 -2.851 -4.908 1.00 0.00 C ATOM 833 C ALA A 56 9.433 -2.860 -6.278 1.00 0.00 C ATOM 834 O ALA A 56 9.354 -1.885 -7.024 1.00 0.00 O ATOM 835 CB ALA A 56 9.794 -3.083 -3.813 1.00 0.00 C ATOM 0 H ALA A 56 7.707 -4.400 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 56 8.310 -1.871 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.575 -2.326 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.310 -3.018 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.236 -4.072 -3.933 1.00 0.00 H new ATOM 841 N GLU A 57 10.093 -3.968 -6.602 1.00 0.00 N ATOM 842 CA GLU A 57 10.778 -4.102 -7.882 1.00 0.00 C ATOM 843 C GLU A 57 9.893 -3.614 -9.026 1.00 0.00 C ATOM 844 O GLU A 57 10.357 -2.924 -9.933 1.00 0.00 O ATOM 845 CB GLU A 57 11.181 -5.559 -8.120 1.00 0.00 C ATOM 846 CG GLU A 57 10.002 -6.514 -8.187 1.00 0.00 C ATOM 847 CD GLU A 57 9.431 -6.640 -9.586 1.00 0.00 C ATOM 848 OE1 GLU A 57 10.226 -6.749 -10.543 1.00 0.00 O ATOM 849 OE2 GLU A 57 8.190 -6.630 -9.723 1.00 0.00 O ATOM 0 H GLU A 57 10.168 -4.785 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 57 11.676 -3.485 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.743 -5.624 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.850 -5.877 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.316 -7.497 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.221 -6.169 -7.510 1.00 0.00 H new ATOM 856 N ALA A 58 8.617 -3.980 -8.976 1.00 0.00 N ATOM 857 CA ALA A 58 7.666 -3.579 -10.006 1.00 0.00 C ATOM 858 C ALA A 58 7.855 -2.115 -10.387 1.00 0.00 C ATOM 859 O ALA A 58 7.761 -1.751 -11.560 1.00 0.00 O ATOM 860 CB ALA A 58 6.241 -3.824 -9.533 1.00 0.00 C ATOM 0 H ALA A 58 8.217 -4.554 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 58 7.852 -4.185 -10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.542 -3.520 -10.312 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.106 -4.884 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.053 -3.244 -8.630 1.00 0.00 H new ATOM 866 N HIS A 59 8.120 -1.278 -9.389 1.00 0.00 N ATOM 867 CA HIS A 59 8.322 0.148 -9.621 1.00 0.00 C ATOM 868 C HIS A 59 9.694 0.591 -9.122 1.00 0.00 C ATOM 869 O HIS A 59 9.838 1.668 -8.545 1.00 0.00 O ATOM 870 CB HIS A 59 7.228 0.959 -8.926 1.00 0.00 C ATOM 871 CG HIS A 59 7.257 0.849 -7.433 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.447 -0.015 -6.726 1.00 0.00 N ATOM 873 CD2 HIS A 59 8.006 1.499 -6.512 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.696 0.109 -5.435 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.638 1.021 -5.278 1.00 0.00 N ATOM 0 H HIS A 59 8.200 -1.562 -8.413 1.00 0.00 H new ATOM 0 HA HIS A 59 8.270 0.327 -10.695 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.331 2.007 -9.207 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.255 0.626 -9.288 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.763 -0.650 -7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.754 2.253 -6.710 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.212 -0.442 -4.642 1.00 0.00 H new ATOM 883 N GLY A 60 10.700 -0.249 -9.347 1.00 0.00 N ATOM 884 CA GLY A 60 12.047 0.074 -8.913 1.00 0.00 C ATOM 885 C GLY A 60 12.068 0.826 -7.598 1.00 0.00 C ATOM 886 O GLY A 60 12.686 1.886 -7.490 1.00 0.00 O ATOM 0 H GLY A 60 10.606 -1.147 -9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.623 -0.846 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.538 0.674 -9.679 1.00 0.00 H new ATOM 890 N CYS A 61 11.389 0.280 -6.595 1.00 0.00 N ATOM 891 CA CYS A 61 11.329 0.907 -5.280 1.00 0.00 C ATOM 892 C CYS A 61 12.655 1.580 -4.938 1.00 0.00 C ATOM 893 O CYS A 61 13.714 1.157 -5.398 1.00 0.00 O ATOM 894 CB CYS A 61 10.980 -0.131 -4.212 1.00 0.00 C ATOM 895 SG CYS A 61 10.471 0.586 -2.617 1.00 0.00 S ATOM 0 H CYS A 61 10.872 -0.596 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 61 10.550 1.669 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.176 -0.765 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.845 -0.774 -4.050 1.00 0.00 H new ATOM 900 N ASN A 62 12.587 2.631 -4.126 1.00 0.00 N ATOM 901 CA ASN A 62 13.782 3.363 -3.722 1.00 0.00 C ATOM 902 C ASN A 62 14.170 3.020 -2.286 1.00 0.00 C ATOM 903 O ASN A 62 15.346 2.826 -1.980 1.00 0.00 O ATOM 904 CB ASN A 62 13.551 4.869 -3.854 1.00 0.00 C ATOM 905 CG ASN A 62 12.183 5.291 -3.355 1.00 0.00 C ATOM 906 OD1 ASN A 62 11.483 4.518 -2.701 1.00 0.00 O ATOM 907 ND2 ASN A 62 11.795 6.523 -3.664 1.00 0.00 N ATOM 0 H ASN A 62 11.718 2.994 -3.735 1.00 0.00 H new ATOM 0 HA ASN A 62 14.599 3.069 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.319 5.402 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.659 5.160 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.884 6.863 -3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.408 7.129 -4.208 1.00 0.00 H new ATOM 914 N TYR A 63 13.173 2.948 -1.412 1.00 0.00 N ATOM 915 CA TYR A 63 13.409 2.631 -0.008 1.00 0.00 C ATOM 916 C TYR A 63 14.466 1.539 0.133 1.00 0.00 C ATOM 917 O TYR A 63 14.255 0.398 -0.279 1.00 0.00 O ATOM 918 CB TYR A 63 12.108 2.187 0.662 1.00 0.00 C ATOM 919 CG TYR A 63 12.301 1.650 2.062 1.00 0.00 C ATOM 920 CD1 TYR A 63 12.569 0.304 2.281 1.00 0.00 C ATOM 921 CD2 TYR A 63 12.216 2.488 3.167 1.00 0.00 C ATOM 922 CE1 TYR A 63 12.745 -0.191 3.558 1.00 0.00 C ATOM 923 CE2 TYR A 63 12.392 2.002 4.448 1.00 0.00 C ATOM 924 CZ TYR A 63 12.656 0.662 4.639 1.00 0.00 C ATOM 925 OH TYR A 63 12.832 0.173 5.913 1.00 0.00 O ATOM 0 H TYR A 63 12.194 3.105 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 63 13.775 3.532 0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.421 3.032 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.637 1.419 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.641 -0.367 1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 63 12.009 3.538 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.951 -1.240 3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.323 2.668 5.295 1.00 0.00 H new ATOM 0 HH TYR A 63 12.739 0.903 6.560 1.00 0.00 H new ATOM 935 N ASP A 64 15.602 1.898 0.720 1.00 0.00 N ATOM 936 CA ASP A 64 16.693 0.950 0.918 1.00 0.00 C ATOM 937 C ASP A 64 16.303 -0.122 1.930 1.00 0.00 C ATOM 938 O ASP A 64 16.581 0.005 3.123 1.00 0.00 O ATOM 939 CB ASP A 64 17.952 1.680 1.389 1.00 0.00 C ATOM 940 CG ASP A 64 19.156 0.762 1.473 1.00 0.00 C ATOM 941 OD1 ASP A 64 19.493 0.132 0.449 1.00 0.00 O ATOM 942 OD2 ASP A 64 19.760 0.673 2.562 1.00 0.00 O ATOM 0 H ASP A 64 15.792 2.838 1.067 1.00 0.00 H new ATOM 0 HA ASP A 64 16.899 0.466 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.171 2.500 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.767 2.123 2.368 1.00 0.00 H new ATOM 947 N TYR A 65 15.656 -1.177 1.447 1.00 0.00 N ATOM 948 CA TYR A 65 15.224 -2.270 2.310 1.00 0.00 C ATOM 949 C TYR A 65 16.343 -3.290 2.499 1.00 0.00 C ATOM 950 O TYR A 65 16.146 -4.489 2.304 1.00 0.00 O ATOM 951 CB TYR A 65 13.989 -2.955 1.722 1.00 0.00 C ATOM 952 CG TYR A 65 14.020 -3.069 0.215 1.00 0.00 C ATOM 953 CD1 TYR A 65 15.086 -3.680 -0.434 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.983 -2.566 -0.561 1.00 0.00 C ATOM 955 CE1 TYR A 65 15.119 -3.785 -1.811 1.00 0.00 C ATOM 956 CE2 TYR A 65 13.006 -2.668 -1.938 1.00 0.00 C ATOM 957 CZ TYR A 65 14.076 -3.278 -2.559 1.00 0.00 C ATOM 958 OH TYR A 65 14.105 -3.383 -3.930 1.00 0.00 O ATOM 0 H TYR A 65 15.419 -1.298 0.462 1.00 0.00 H new ATOM 0 HA TYR A 65 14.970 -1.851 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.898 -3.953 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.100 -2.398 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.903 -4.080 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.144 -2.087 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 65 15.956 -4.261 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.191 -2.272 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 65 13.296 -2.978 -4.306 1.00 0.00 H new ATOM 968 N LYS A 66 17.519 -2.803 2.881 1.00 0.00 N ATOM 969 CA LYS A 66 18.671 -3.670 3.099 1.00 0.00 C ATOM 970 C LYS A 66 18.295 -4.869 3.963 1.00 0.00 C ATOM 971 O LYS A 66 17.169 -4.965 4.452 1.00 0.00 O ATOM 972 CB LYS A 66 19.806 -2.886 3.763 1.00 0.00 C ATOM 973 CG LYS A 66 20.719 -2.183 2.774 1.00 0.00 C ATOM 974 CD LYS A 66 21.712 -1.275 3.480 1.00 0.00 C ATOM 975 CE LYS A 66 22.584 -0.523 2.486 1.00 0.00 C ATOM 976 NZ LYS A 66 23.384 0.545 3.147 1.00 0.00 N ATOM 0 H LYS A 66 17.699 -1.813 3.046 1.00 0.00 H new ATOM 0 HA LYS A 66 19.008 -4.035 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.378 -2.146 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.400 -3.568 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.258 -2.925 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.120 -1.597 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.174 -0.563 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 66 22.342 -1.869 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 66 23.255 -1.224 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.955 -0.080 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.965 1.034 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.744 1.228 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.003 0.120 3.867 1.00 0.00 H new ATOM 990 N SER A 67 19.244 -5.781 4.148 1.00 0.00 N ATOM 991 CA SER A 67 19.010 -6.976 4.951 1.00 0.00 C ATOM 992 C SER A 67 18.067 -6.674 6.111 1.00 0.00 C ATOM 993 O SER A 67 17.155 -7.448 6.401 1.00 0.00 O ATOM 994 CB SER A 67 20.335 -7.524 5.485 1.00 0.00 C ATOM 995 OG SER A 67 20.218 -8.893 5.830 1.00 0.00 O ATOM 0 H SER A 67 20.182 -5.715 3.753 1.00 0.00 H new ATOM 0 HA SER A 67 18.545 -7.728 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.113 -7.401 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 67 20.644 -6.950 6.359 1.00 0.00 H new ATOM 0 HG SER A 67 21.078 -9.220 6.167 1.00 0.00 H new ATOM 1001 N ALA A 68 18.294 -5.543 6.772 1.00 0.00 N ATOM 1002 CA ALA A 68 17.464 -5.137 7.899 1.00 0.00 C ATOM 1003 C ALA A 68 17.182 -6.315 8.826 1.00 0.00 C ATOM 1004 O ALA A 68 16.063 -6.484 9.308 1.00 0.00 O ATOM 1005 CB ALA A 68 16.160 -4.530 7.403 1.00 0.00 C ATOM 0 H ALA A 68 19.046 -4.892 6.546 1.00 0.00 H new ATOM 0 HA ALA A 68 18.010 -4.384 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.550 -4.231 8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.376 -3.657 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.618 -5.267 6.810 1.00 0.00 H new ATOM 1011 N GLY A 69 18.206 -7.128 9.071 1.00 0.00 N ATOM 1012 CA GLY A 69 18.047 -8.280 9.939 1.00 0.00 C ATOM 1013 C GLY A 69 17.021 -9.264 9.413 1.00 0.00 C ATOM 1014 O GLY A 69 15.887 -9.302 9.890 1.00 0.00 O ATOM 0 H GLY A 69 19.142 -7.009 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.007 -8.784 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.749 -7.944 10.932 1.00 0.00 H new ATOM 1018 N ARG A 70 17.419 -10.062 8.428 1.00 0.00 N ATOM 1019 CA ARG A 70 16.525 -11.049 7.835 1.00 0.00 C ATOM 1020 C ARG A 70 17.301 -12.279 7.375 1.00 0.00 C ATOM 1021 O ARG A 70 18.471 -12.184 7.004 1.00 0.00 O ATOM 1022 CB ARG A 70 15.768 -10.439 6.654 1.00 0.00 C ATOM 1023 CG ARG A 70 14.695 -11.351 6.081 1.00 0.00 C ATOM 1024 CD ARG A 70 13.360 -11.147 6.780 1.00 0.00 C ATOM 1025 NE ARG A 70 12.802 -9.823 6.518 1.00 0.00 N ATOM 1026 CZ ARG A 70 11.510 -9.535 6.629 1.00 0.00 C ATOM 1027 NH1 ARG A 70 10.647 -10.474 6.996 1.00 0.00 N ATOM 1028 NH2 ARG A 70 11.078 -8.307 6.374 1.00 0.00 N ATOM 0 H ARG A 70 18.355 -10.044 8.024 1.00 0.00 H new ATOM 0 HA ARG A 70 15.809 -11.357 8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.306 -9.505 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.480 -10.190 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.582 -11.157 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.006 -12.391 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.656 -11.910 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.489 -11.280 7.854 1.00 0.00 H new ATOM 0 HE ARG A 70 13.439 -9.079 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.975 -11.419 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.655 -10.250 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.738 -7.582 6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.086 -8.087 6.460 1.00 0.00 H new ATOM 1042 N ARG A 71 16.642 -13.433 7.402 1.00 0.00 N ATOM 1043 CA ARG A 71 17.270 -14.682 6.990 1.00 0.00 C ATOM 1044 C ARG A 71 16.896 -15.030 5.552 1.00 0.00 C ATOM 1045 O ARG A 71 15.730 -15.283 5.247 1.00 0.00 O ATOM 1046 CB ARG A 71 16.856 -15.819 7.926 1.00 0.00 C ATOM 1047 CG ARG A 71 17.700 -17.074 7.770 1.00 0.00 C ATOM 1048 CD ARG A 71 17.564 -17.991 8.976 1.00 0.00 C ATOM 1049 NE ARG A 71 16.372 -18.831 8.892 1.00 0.00 N ATOM 1050 CZ ARG A 71 15.860 -19.484 9.929 1.00 0.00 C ATOM 1051 NH1 ARG A 71 16.431 -19.394 11.122 1.00 0.00 N ATOM 1052 NH2 ARG A 71 14.773 -20.229 9.773 1.00 0.00 N ATOM 0 H ARG A 71 15.673 -13.528 7.705 1.00 0.00 H new ATOM 0 HA ARG A 71 18.351 -14.552 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.923 -15.472 8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.811 -16.069 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.397 -17.608 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.746 -16.796 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.449 -18.623 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.522 -17.391 9.885 1.00 0.00 H new ATOM 0 HE ARG A 71 15.908 -18.921 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.266 -18.822 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.035 -19.897 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.331 -20.300 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.380 -20.731 10.569 1.00 0.00 H new ATOM 1066 N TYR A 72 17.892 -15.041 4.673 1.00 0.00 N ATOM 1067 CA TYR A 72 17.667 -15.355 3.267 1.00 0.00 C ATOM 1068 C TYR A 72 16.791 -16.596 3.120 1.00 0.00 C ATOM 1069 O TYR A 72 17.050 -17.630 3.735 1.00 0.00 O ATOM 1070 CB TYR A 72 19.002 -15.571 2.552 1.00 0.00 C ATOM 1071 CG TYR A 72 20.010 -16.344 3.372 1.00 0.00 C ATOM 1072 CD1 TYR A 72 19.938 -17.728 3.474 1.00 0.00 C ATOM 1073 CD2 TYR A 72 21.035 -15.690 4.045 1.00 0.00 C ATOM 1074 CE1 TYR A 72 20.857 -18.438 4.222 1.00 0.00 C ATOM 1075 CE2 TYR A 72 21.959 -16.392 4.795 1.00 0.00 C ATOM 1076 CZ TYR A 72 21.866 -17.765 4.880 1.00 0.00 C ATOM 1077 OH TYR A 72 22.783 -18.468 5.627 1.00 0.00 O ATOM 0 H TYR A 72 18.863 -14.836 4.909 1.00 0.00 H new ATOM 0 HA TYR A 72 17.150 -14.511 2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 72 18.822 -16.103 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 72 19.426 -14.601 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 72 19.150 -18.258 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 72 21.111 -14.615 3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 72 20.786 -19.513 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 72 22.750 -15.868 5.312 1.00 0.00 H new ATOM 0 HH TYR A 72 23.427 -17.846 6.024 1.00 0.00 H new ATOM 1087 N LEU A 73 15.753 -16.484 2.298 1.00 0.00 N ATOM 1088 CA LEU A 73 14.838 -17.596 2.067 1.00 0.00 C ATOM 1089 C LEU A 73 15.595 -18.841 1.619 1.00 0.00 C ATOM 1090 O LEU A 73 16.817 -18.816 1.471 1.00 0.00 O ATOM 1091 CB LEU A 73 13.795 -17.213 1.015 1.00 0.00 C ATOM 1092 CG LEU A 73 12.726 -16.216 1.461 1.00 0.00 C ATOM 1093 CD1 LEU A 73 11.805 -16.847 2.494 1.00 0.00 C ATOM 1094 CD2 LEU A 73 13.371 -14.956 2.020 1.00 0.00 C ATOM 0 H LEU A 73 15.524 -15.635 1.781 1.00 0.00 H new ATOM 0 HA LEU A 73 14.333 -17.820 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.315 -16.796 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.297 -18.122 0.678 1.00 0.00 H new ATOM 0 HG LEU A 73 12.129 -15.940 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.050 -16.122 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.316 -17.719 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.388 -17.152 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.595 -14.258 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.992 -15.215 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.989 -14.492 1.251 1.00 0.00 H new ATOM 1106 N GLU A 74 14.862 -19.928 1.402 1.00 0.00 N ATOM 1107 CA GLU A 74 15.466 -21.183 0.970 1.00 0.00 C ATOM 1108 C GLU A 74 14.896 -21.626 -0.375 1.00 0.00 C ATOM 1109 O GLU A 74 13.764 -22.101 -0.454 1.00 0.00 O ATOM 1110 CB GLU A 74 15.235 -22.274 2.017 1.00 0.00 C ATOM 1111 CG GLU A 74 16.294 -23.364 2.004 1.00 0.00 C ATOM 1112 CD GLU A 74 15.769 -24.693 2.513 1.00 0.00 C ATOM 1113 OE1 GLU A 74 15.744 -24.887 3.746 1.00 0.00 O ATOM 1114 OE2 GLU A 74 15.384 -25.538 1.678 1.00 0.00 O ATOM 0 H GLU A 74 13.849 -19.965 1.518 1.00 0.00 H new ATOM 0 HA GLU A 74 16.538 -21.020 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.208 -21.817 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.258 -22.726 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.668 -23.490 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.139 -23.052 2.618 1.00 0.00 H new ATOM 1121 N GLU A 75 15.690 -21.465 -1.429 1.00 0.00 N ATOM 1122 CA GLU A 75 15.264 -21.847 -2.771 1.00 0.00 C ATOM 1123 C GLU A 75 16.463 -21.980 -3.705 1.00 0.00 C ATOM 1124 O GLU A 75 17.395 -21.178 -3.654 1.00 0.00 O ATOM 1125 CB GLU A 75 14.280 -20.817 -3.330 1.00 0.00 C ATOM 1126 CG GLU A 75 13.825 -21.117 -4.748 1.00 0.00 C ATOM 1127 CD GLU A 75 12.498 -20.465 -5.086 1.00 0.00 C ATOM 1128 OE1 GLU A 75 11.462 -20.919 -4.556 1.00 0.00 O ATOM 1129 OE2 GLU A 75 12.496 -19.501 -5.879 1.00 0.00 O ATOM 0 H GLU A 75 16.630 -21.073 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 75 14.767 -22.815 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.407 -20.771 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 75 14.746 -19.832 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.584 -20.772 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.739 -22.196 -4.877 1.00 0.00 H new ATOM 1136 N ALA A 76 16.431 -22.999 -4.558 1.00 0.00 N ATOM 1137 CA ALA A 76 17.513 -23.237 -5.504 1.00 0.00 C ATOM 1138 C ALA A 76 17.061 -24.155 -6.635 1.00 0.00 C ATOM 1139 O ALA A 76 16.513 -25.229 -6.394 1.00 0.00 O ATOM 1140 CB ALA A 76 18.718 -23.831 -4.790 1.00 0.00 C ATOM 0 H ALA A 76 15.667 -23.673 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 76 17.798 -22.279 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.519 -24.004 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.063 -23.139 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.437 -24.777 -4.327 1.00 0.00 H new ATOM 1146 N ASN A 77 17.294 -23.722 -7.871 1.00 0.00 N ATOM 1147 CA ASN A 77 16.909 -24.505 -9.039 1.00 0.00 C ATOM 1148 C ASN A 77 17.978 -24.423 -10.125 1.00 0.00 C ATOM 1149 O ASN A 77 18.695 -23.430 -10.250 1.00 0.00 O ATOM 1150 CB ASN A 77 15.568 -24.014 -9.589 1.00 0.00 C ATOM 1151 CG ASN A 77 14.470 -24.042 -8.544 1.00 0.00 C ATOM 1152 OD1 ASN A 77 13.908 -23.006 -8.190 1.00 0.00 O ATOM 1153 ND2 ASN A 77 14.159 -25.233 -8.044 1.00 0.00 N ATOM 0 H ASN A 77 17.747 -22.834 -8.088 1.00 0.00 H new ATOM 0 HA ASN A 77 16.808 -25.546 -8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 77 15.683 -22.997 -9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.276 -24.635 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.428 -25.314 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.651 -26.066 -8.367 1.00 0.00 H new ATOM 1160 N PRO A 78 18.086 -25.490 -10.931 1.00 0.00 N ATOM 1161 CA PRO A 78 19.063 -25.562 -12.021 1.00 0.00 C ATOM 1162 C PRO A 78 18.727 -24.610 -13.165 1.00 0.00 C ATOM 1163 O PRO A 78 17.754 -23.860 -13.095 1.00 0.00 O ATOM 1164 CB PRO A 78 18.965 -27.016 -12.490 1.00 0.00 C ATOM 1165 CG PRO A 78 17.590 -27.445 -12.109 1.00 0.00 C ATOM 1166 CD PRO A 78 17.263 -26.707 -10.839 1.00 0.00 C ATOM 0 HA PRO A 78 20.061 -25.272 -11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 78 19.121 -27.096 -13.566 1.00 0.00 H new ATOM 0 HB3 PRO A 78 19.721 -27.638 -12.011 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.874 -27.205 -12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.546 -28.523 -11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.201 -26.470 -10.774 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.513 -27.296 -9.956 1.00 0.00 H new ATOM 1174 N VAL A 79 19.539 -24.647 -14.217 1.00 0.00 N ATOM 1175 CA VAL A 79 19.327 -23.789 -15.376 1.00 0.00 C ATOM 1176 C VAL A 79 20.143 -24.268 -16.571 1.00 0.00 C ATOM 1177 O VAL A 79 21.282 -24.709 -16.421 1.00 0.00 O ATOM 1178 CB VAL A 79 19.699 -22.326 -15.068 1.00 0.00 C ATOM 1179 CG1 VAL A 79 21.173 -22.214 -14.711 1.00 0.00 C ATOM 1180 CG2 VAL A 79 19.357 -21.430 -16.248 1.00 0.00 C ATOM 0 H VAL A 79 20.349 -25.262 -14.290 1.00 0.00 H new ATOM 0 HA VAL A 79 18.266 -23.843 -15.619 1.00 0.00 H new ATOM 0 HB VAL A 79 19.116 -21.994 -14.209 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.417 -21.174 -14.497 1.00 0.00 H new ATOM 0 HG12 VAL A 79 21.382 -22.824 -13.832 1.00 0.00 H new ATOM 0 HG13 VAL A 79 21.778 -22.564 -15.548 1.00 0.00 H new ATOM 0 HG21 VAL A 79 19.626 -20.400 -16.013 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.911 -21.759 -17.127 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.288 -21.488 -16.451 1.00 0.00 H new ATOM 1190 N SER A 80 19.552 -24.178 -17.759 1.00 0.00 N ATOM 1191 CA SER A 80 20.223 -24.606 -18.981 1.00 0.00 C ATOM 1192 C SER A 80 21.454 -23.747 -19.253 1.00 0.00 C ATOM 1193 O SER A 80 21.608 -22.665 -18.688 1.00 0.00 O ATOM 1194 CB SER A 80 19.262 -24.531 -20.168 1.00 0.00 C ATOM 1195 OG SER A 80 18.769 -23.214 -20.344 1.00 0.00 O ATOM 0 H SER A 80 18.610 -23.813 -17.901 1.00 0.00 H new ATOM 0 HA SER A 80 20.544 -25.639 -18.848 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.773 -24.855 -21.074 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.429 -25.216 -20.009 1.00 0.00 H new ATOM 0 HG SER A 80 18.158 -23.193 -21.110 1.00 0.00 H new ATOM 1201 N GLY A 81 22.330 -24.238 -20.125 1.00 0.00 N ATOM 1202 CA GLY A 81 23.536 -23.505 -20.458 1.00 0.00 C ATOM 1203 C GLY A 81 24.340 -24.177 -21.554 1.00 0.00 C ATOM 1204 O GLY A 81 24.471 -25.400 -21.595 1.00 0.00 O ATOM 0 H GLY A 81 22.225 -25.131 -20.607 1.00 0.00 H new ATOM 0 HA2 GLY A 81 23.269 -22.497 -20.774 1.00 0.00 H new ATOM 0 HA3 GLY A 81 24.155 -23.406 -19.566 1.00 0.00 H new ATOM 1208 N PRO A 82 24.894 -23.367 -22.468 1.00 0.00 N ATOM 1209 CA PRO A 82 25.698 -23.869 -23.587 1.00 0.00 C ATOM 1210 C PRO A 82 27.039 -24.433 -23.130 1.00 0.00 C ATOM 1211 O PRO A 82 27.353 -24.427 -21.940 1.00 0.00 O ATOM 1212 CB PRO A 82 25.908 -22.628 -24.458 1.00 0.00 C ATOM 1213 CG PRO A 82 25.785 -21.480 -23.517 1.00 0.00 C ATOM 1214 CD PRO A 82 24.780 -21.899 -22.481 1.00 0.00 C ATOM 0 HA PRO A 82 25.206 -24.692 -24.106 1.00 0.00 H new ATOM 0 HB2 PRO A 82 26.886 -22.643 -24.939 1.00 0.00 H new ATOM 0 HB3 PRO A 82 25.163 -22.571 -25.252 1.00 0.00 H new ATOM 0 HG2 PRO A 82 26.746 -21.248 -23.057 1.00 0.00 H new ATOM 0 HG3 PRO A 82 25.456 -20.581 -24.039 1.00 0.00 H new ATOM 0 HD2 PRO A 82 25.007 -21.470 -21.505 1.00 0.00 H new ATOM 0 HD3 PRO A 82 23.773 -21.577 -22.745 1.00 0.00 H new ATOM 1222 N SER A 83 27.827 -24.919 -24.084 1.00 0.00 N ATOM 1223 CA SER A 83 29.134 -25.490 -23.778 1.00 0.00 C ATOM 1224 C SER A 83 30.069 -24.430 -23.204 1.00 0.00 C ATOM 1225 O SER A 83 30.708 -24.643 -22.174 1.00 0.00 O ATOM 1226 CB SER A 83 29.752 -26.104 -25.036 1.00 0.00 C ATOM 1227 OG SER A 83 31.134 -26.358 -24.853 1.00 0.00 O ATOM 0 H SER A 83 27.584 -24.929 -25.074 1.00 0.00 H new ATOM 0 HA SER A 83 28.996 -26.271 -23.030 1.00 0.00 H new ATOM 0 HB2 SER A 83 29.238 -27.033 -25.281 1.00 0.00 H new ATOM 0 HB3 SER A 83 29.612 -25.429 -25.880 1.00 0.00 H new ATOM 0 HG SER A 83 31.505 -26.751 -25.670 1.00 0.00 H new ATOM 1233 N SER A 84 30.143 -23.287 -23.878 1.00 0.00 N ATOM 1234 CA SER A 84 31.002 -22.194 -23.438 1.00 0.00 C ATOM 1235 C SER A 84 30.558 -21.669 -22.076 1.00 0.00 C ATOM 1236 O SER A 84 29.407 -21.841 -21.677 1.00 0.00 O ATOM 1237 CB SER A 84 30.986 -21.060 -24.465 1.00 0.00 C ATOM 1238 OG SER A 84 29.667 -20.592 -24.688 1.00 0.00 O ATOM 0 H SER A 84 29.618 -23.094 -24.731 1.00 0.00 H new ATOM 0 HA SER A 84 32.018 -22.577 -23.346 1.00 0.00 H new ATOM 0 HB2 SER A 84 31.612 -20.239 -24.115 1.00 0.00 H new ATOM 0 HB3 SER A 84 31.415 -21.410 -25.404 1.00 0.00 H new ATOM 0 HG SER A 84 29.684 -19.867 -25.347 1.00 0.00 H new ATOM 1244 N GLY A 85 31.481 -21.026 -21.367 1.00 0.00 N ATOM 1245 CA GLY A 85 31.167 -20.485 -20.058 1.00 0.00 C ATOM 1246 C GLY A 85 32.294 -20.683 -19.063 1.00 0.00 C ATOM 1247 O GLY A 85 32.483 -21.802 -18.588 1.00 0.00 O ATOM 0 H GLY A 85 32.440 -20.870 -21.676 1.00 0.00 H new ATOM 0 HA2 GLY A 85 30.951 -19.421 -20.150 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.263 -20.962 -19.678 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.247 0.796 -11.454 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.293 1.281 -3.057 1.00 0.00 ZN