USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 6 HIS : no HD1:sc= -0.132 K(o=-0.3,f=-1.5) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.167 K(o=-0.3,f=-3.7) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 139:sc= 0.774 (180deg=-0.0358) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0.836 USER MOD Set 3.1: A 4 HIS : no HE2:sc= 0.126 K(o=0.024,f=-1.4) USER MOD Set 3.2: A 76 SER OG : rot -80:sc= -0.102 USER MOD Single : A 1 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.041) USER MOD Single : A 1 HIS N :NH3+ -171:sc= 0 (180deg=-0.0432) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 3 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 80:sc= -0.606 USER MOD Single : A 8 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.47) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -120:sc= -0.119 USER MOD Single : A 19 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-0.85) USER MOD Single : A 20 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.049) USER MOD Single : A 21 THR OG1 : rot -140:sc= -1.53! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 33 THR OG1 : rot 40:sc= 0.219 USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.0239 USER MOD Single : A 38 THR OG1 : rot 10:sc= 0.795 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HE2:sc= 0.294 K(o=0.29,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.8) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00308 USER MOD Single : A 67 SER OG : rot -33:sc= 0.0222 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.1!) USER MOD Single : A 78 ASN : amide:sc= 0.389 K(o=0.39,f=-3.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -13.892 -17.811 5.359 1.00 75.00 N ATOM 2 CA HIS A 1 -12.879 -17.016 4.633 1.00 75.00 C ATOM 3 C HIS A 1 -11.474 -17.371 5.162 1.00 75.00 C ATOM 4 O HIS A 1 -10.976 -16.755 6.115 1.00 75.00 O ATOM 5 CB HIS A 1 -13.168 -15.490 4.764 1.00 75.00 C ATOM 6 CG HIS A 1 -14.556 -15.066 4.329 1.00 75.00 C ATOM 7 ND1 HIS A 1 -14.906 -14.865 3.008 1.00 75.00 N ATOM 8 CD2 HIS A 1 -15.685 -14.807 5.049 1.00 75.00 C ATOM 9 CE1 HIS A 1 -16.174 -14.506 2.936 1.00 75.00 C ATOM 10 NE2 HIS A 1 -16.668 -14.468 4.155 1.00 75.00 N ATOM 0 H1 HIS A 1 -14.820 -17.689 4.905 1.00 75.00 H new ATOM 0 H2 HIS A 1 -13.625 -18.816 5.338 1.00 75.00 H new ATOM 0 H3 HIS A 1 -13.945 -17.488 6.346 1.00 75.00 H new ATOM 0 HA HIS A 1 -12.925 -17.260 3.572 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -13.022 -15.195 5.803 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -12.434 -14.943 4.172 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -15.786 -14.859 6.123 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -16.715 -14.281 2.029 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -17.629 -14.225 4.396 1.00 75.00 H new ATOM 21 N HIS A 2 -10.867 -18.419 4.565 1.00 75.00 N ATOM 22 CA HIS A 2 -9.554 -18.962 4.974 1.00 75.00 C ATOM 23 C HIS A 2 -8.784 -19.441 3.727 1.00 75.00 C ATOM 24 O HIS A 2 -9.219 -20.381 3.061 1.00 75.00 O ATOM 25 CB HIS A 2 -9.735 -20.138 5.985 1.00 75.00 C ATOM 26 CG HIS A 2 -10.177 -19.723 7.373 1.00 75.00 C ATOM 27 ND1 HIS A 2 -11.403 -20.054 7.920 1.00 75.00 N ATOM 28 CD2 HIS A 2 -9.537 -18.998 8.323 1.00 75.00 C ATOM 29 CE1 HIS A 2 -11.488 -19.559 9.141 1.00 75.00 C ATOM 30 NE2 HIS A 2 -10.371 -18.915 9.408 1.00 75.00 N ATOM 0 H HIS A 2 -11.280 -18.917 3.777 1.00 75.00 H new ATOM 0 HA HIS A 2 -8.984 -18.175 5.469 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -10.467 -20.837 5.580 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -8.791 -20.677 6.066 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -8.551 -18.565 8.240 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -12.331 -19.664 9.808 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -10.160 -18.432 10.281 1.00 75.00 H new ATOM 39 N HIS A 3 -7.651 -18.774 3.417 1.00 75.00 N ATOM 40 CA HIS A 3 -6.774 -19.149 2.286 1.00 75.00 C ATOM 41 C HIS A 3 -5.337 -18.613 2.514 1.00 75.00 C ATOM 42 O HIS A 3 -4.747 -17.962 1.641 1.00 75.00 O ATOM 43 CB HIS A 3 -7.377 -18.664 0.927 1.00 75.00 C ATOM 44 CG HIS A 3 -7.644 -17.178 0.840 1.00 75.00 C ATOM 45 ND1 HIS A 3 -8.858 -16.610 1.156 1.00 75.00 N ATOM 46 CD2 HIS A 3 -6.844 -16.142 0.480 1.00 75.00 C ATOM 47 CE1 HIS A 3 -8.783 -15.304 0.993 1.00 75.00 C ATOM 48 NE2 HIS A 3 -7.575 -15.001 0.585 1.00 75.00 N ATOM 0 H HIS A 3 -7.320 -17.964 3.941 1.00 75.00 H new ATOM 0 HA HIS A 3 -6.712 -20.236 2.235 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -6.695 -18.943 0.124 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -8.311 -19.197 0.751 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -5.813 -16.212 0.167 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -9.584 -14.601 1.167 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -7.238 -14.061 0.379 1.00 75.00 H new ATOM 57 N HIS A 4 -4.773 -18.923 3.697 1.00 75.00 N ATOM 58 CA HIS A 4 -3.392 -18.532 4.068 1.00 75.00 C ATOM 59 C HIS A 4 -2.360 -19.315 3.216 1.00 75.00 C ATOM 60 O HIS A 4 -1.834 -20.348 3.651 1.00 75.00 O ATOM 61 CB HIS A 4 -3.136 -18.768 5.595 1.00 75.00 C ATOM 62 CG HIS A 4 -3.803 -17.786 6.533 1.00 75.00 C ATOM 63 ND1 HIS A 4 -3.112 -17.099 7.520 1.00 75.00 N ATOM 64 CD2 HIS A 4 -5.099 -17.409 6.667 1.00 75.00 C ATOM 65 CE1 HIS A 4 -3.952 -16.349 8.204 1.00 75.00 C ATOM 66 NE2 HIS A 4 -5.159 -16.518 7.710 1.00 75.00 N ATOM 0 H HIS A 4 -5.257 -19.450 4.424 1.00 75.00 H new ATOM 0 HA HIS A 4 -3.273 -17.468 3.865 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -3.474 -19.772 5.850 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -2.061 -18.739 5.773 1.00 75.00 H new ATOM 0 HD1 HIS A 4 -2.108 -17.164 7.690 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -5.930 -17.747 6.065 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.693 -15.704 9.031 1.00 75.00 H new ATOM 75 N HIS A 5 -2.115 -18.829 1.977 1.00 75.00 N ATOM 76 CA HIS A 5 -1.147 -19.437 1.041 1.00 75.00 C ATOM 77 C HIS A 5 0.286 -19.057 1.476 1.00 75.00 C ATOM 78 O HIS A 5 0.947 -19.834 2.182 1.00 75.00 O ATOM 79 CB HIS A 5 -1.436 -18.998 -0.429 1.00 75.00 C ATOM 80 CG HIS A 5 -2.723 -19.496 -1.030 1.00 75.00 C ATOM 81 ND1 HIS A 5 -3.038 -19.300 -2.358 1.00 75.00 N ATOM 82 CD2 HIS A 5 -3.766 -20.188 -0.507 1.00 75.00 C ATOM 83 CE1 HIS A 5 -4.204 -19.846 -2.621 1.00 75.00 C ATOM 84 NE2 HIS A 5 -4.670 -20.396 -1.516 1.00 75.00 N ATOM 0 H HIS A 5 -2.584 -18.005 1.600 1.00 75.00 H new ATOM 0 HA HIS A 5 -1.248 -20.522 1.072 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -1.439 -17.909 -0.467 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.611 -19.337 -1.056 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -3.866 -20.515 0.517 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -4.698 -19.845 -3.581 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -5.556 -20.893 -1.427 1.00 75.00 H new ATOM 93 N HIS A 6 0.734 -17.843 1.085 1.00 75.00 N ATOM 94 CA HIS A 6 2.028 -17.286 1.518 1.00 75.00 C ATOM 95 C HIS A 6 2.109 -15.797 1.136 1.00 75.00 C ATOM 96 O HIS A 6 1.629 -15.398 0.067 1.00 75.00 O ATOM 97 CB HIS A 6 3.221 -18.065 0.891 1.00 75.00 C ATOM 98 CG HIS A 6 4.517 -17.865 1.625 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.598 -17.192 1.107 1.00 75.00 N ATOM 100 CD2 HIS A 6 4.889 -18.263 2.862 1.00 75.00 C ATOM 101 CE1 HIS A 6 6.577 -17.200 1.985 1.00 75.00 C ATOM 102 NE2 HIS A 6 6.175 -17.842 3.061 1.00 75.00 N ATOM 0 H HIS A 6 0.209 -17.227 0.464 1.00 75.00 H new ATOM 0 HA HIS A 6 2.096 -17.388 2.601 1.00 75.00 H new ATOM 0 HB2 HIS A 6 2.982 -19.128 0.874 1.00 75.00 H new ATOM 0 HB3 HIS A 6 3.347 -17.750 -0.145 1.00 75.00 H new ATOM 0 HD2 HIS A 6 4.281 -18.813 3.565 1.00 75.00 H new ATOM 0 HE1 HIS A 6 7.550 -16.753 1.846 1.00 75.00 H new ATOM 0 HE2 HIS A 6 6.730 -17.999 3.902 1.00 75.00 H new ATOM 111 N SER A 7 2.724 -14.990 2.014 1.00 75.00 N ATOM 112 CA SER A 7 2.854 -13.536 1.823 1.00 75.00 C ATOM 113 C SER A 7 4.161 -13.013 2.447 1.00 75.00 C ATOM 114 O SER A 7 5.023 -13.795 2.860 1.00 75.00 O ATOM 115 CB SER A 7 1.611 -12.816 2.428 1.00 75.00 C ATOM 116 OG SER A 7 0.425 -13.150 1.717 1.00 75.00 O ATOM 0 H SER A 7 3.146 -15.328 2.879 1.00 75.00 H new ATOM 0 HA SER A 7 2.897 -13.321 0.755 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.500 -13.095 3.476 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.763 -11.737 2.400 1.00 75.00 H new ATOM 0 HG SER A 7 0.102 -14.027 2.013 1.00 75.00 H new ATOM 122 N HIS A 8 4.313 -11.678 2.438 1.00 50.00 N ATOM 123 CA HIS A 8 5.392 -10.964 3.144 1.00 50.00 C ATOM 124 C HIS A 8 4.944 -10.702 4.600 1.00 50.00 C ATOM 125 O HIS A 8 3.739 -10.787 4.901 1.00 50.00 O ATOM 126 CB HIS A 8 5.711 -9.640 2.393 1.00 50.00 C ATOM 127 CG HIS A 8 6.911 -8.884 2.900 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.842 -7.599 3.392 1.00 75.00 N ATOM 129 CD2 HIS A 8 8.220 -9.233 2.971 1.00 75.00 C ATOM 130 CE1 HIS A 8 8.048 -7.195 3.739 1.00 75.00 C ATOM 131 NE2 HIS A 8 8.897 -8.166 3.497 1.00 75.00 N ATOM 0 H HIS A 8 3.682 -11.056 1.934 1.00 50.00 H new ATOM 0 HA HIS A 8 6.303 -11.562 3.166 1.00 50.00 H new ATOM 0 HB2 HIS A 8 5.865 -9.868 1.338 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.839 -8.988 2.454 1.00 50.00 H new ATOM 0 HD2 HIS A 8 8.648 -10.177 2.669 1.00 75.00 H new ATOM 0 HE1 HIS A 8 8.295 -6.228 4.152 1.00 75.00 H new ATOM 0 HE2 HIS A 8 9.901 -8.131 3.673 1.00 75.00 H new ATOM 140 N MET A 9 5.920 -10.420 5.498 1.00 10.00 N ATOM 141 CA MET A 9 5.658 -10.128 6.925 1.00 10.00 C ATOM 142 C MET A 9 4.614 -8.999 7.090 1.00 10.00 C ATOM 143 O MET A 9 4.693 -7.960 6.407 1.00 50.00 O ATOM 144 CB MET A 9 6.986 -9.774 7.673 1.00 50.00 C ATOM 145 CG MET A 9 7.732 -8.534 7.152 1.00 50.00 C ATOM 146 SD MET A 9 9.259 -8.201 8.058 1.00 50.00 S ATOM 147 CE MET A 9 9.858 -6.724 7.234 1.00 75.00 C ATOM 0 H MET A 9 6.909 -10.389 5.251 1.00 10.00 H new ATOM 0 HA MET A 9 5.242 -11.029 7.376 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.758 -9.622 8.728 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.656 -10.631 7.612 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.965 -8.673 6.096 1.00 50.00 H new ATOM 0 HG3 MET A 9 7.077 -7.666 7.222 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.795 -6.407 7.691 1.00 75.00 H new ATOM 0 HE2 MET A 9 10.024 -6.938 6.178 1.00 75.00 H new ATOM 0 HE3 MET A 9 9.119 -5.928 7.331 1.00 75.00 H new ATOM 157 N VAL A 10 3.618 -9.235 7.977 1.00 10.00 N ATOM 158 CA VAL A 10 2.534 -8.274 8.233 1.00 10.00 C ATOM 159 C VAL A 10 3.090 -7.041 8.967 1.00 10.00 C ATOM 160 O VAL A 10 3.960 -7.164 9.848 1.00 50.00 O ATOM 161 CB VAL A 10 1.315 -8.914 9.020 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.744 -10.135 8.268 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.657 -9.282 10.483 1.00 50.00 C ATOM 0 H VAL A 10 3.549 -10.091 8.528 1.00 10.00 H new ATOM 0 HA VAL A 10 2.136 -7.965 7.267 1.00 10.00 H new ATOM 0 HB VAL A 10 0.548 -8.141 9.067 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.090 -10.552 8.832 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.397 -9.825 7.282 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.522 -10.891 8.158 1.00 50.00 H new ATOM 0 HG21 VAL A 10 0.780 -9.715 10.964 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.472 -10.006 10.495 1.00 50.00 H new ATOM 0 HG23 VAL A 10 1.961 -8.385 11.022 1.00 50.00 H new ATOM 173 N GLY A 11 2.612 -5.855 8.568 1.00 10.00 N ATOM 174 CA GLY A 11 3.138 -4.598 9.090 1.00 10.00 C ATOM 175 C GLY A 11 4.108 -3.917 8.130 1.00 10.00 C ATOM 176 O GLY A 11 4.776 -2.954 8.520 1.00 50.00 O ATOM 0 H GLY A 11 1.862 -5.745 7.885 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.309 -3.923 9.301 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.644 -4.787 10.037 1.00 10.00 H new ATOM 180 N ASP A 12 4.198 -4.427 6.881 1.00 10.00 N ATOM 181 CA ASP A 12 5.130 -3.897 5.857 1.00 10.00 C ATOM 182 C ASP A 12 4.855 -2.395 5.594 1.00 10.00 C ATOM 183 O ASP A 12 3.849 -2.050 4.972 1.00 50.00 O ATOM 184 CB ASP A 12 4.989 -4.704 4.530 1.00 50.00 C ATOM 185 CG ASP A 12 6.017 -4.356 3.421 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.932 -3.531 3.634 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.899 -4.925 2.316 1.00 50.00 O ATOM 0 H ASP A 12 3.632 -5.211 6.555 1.00 10.00 H new ATOM 0 HA ASP A 12 6.148 -4.004 6.232 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.076 -5.766 4.761 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.986 -4.545 4.134 1.00 50.00 H new ATOM 192 N THR A 13 5.774 -1.523 6.034 1.00 10.00 N ATOM 193 CA THR A 13 5.569 -0.075 5.977 1.00 10.00 C ATOM 194 C THR A 13 5.654 0.407 4.520 1.00 10.00 C ATOM 195 O THR A 13 6.703 0.321 3.881 1.00 50.00 O ATOM 196 CB THR A 13 6.611 0.675 6.861 1.00 50.00 C ATOM 197 OG1 THR A 13 6.519 0.186 8.210 1.00 50.00 O ATOM 198 CG2 THR A 13 6.396 2.198 6.861 1.00 50.00 C ATOM 0 H THR A 13 6.670 -1.801 6.435 1.00 10.00 H new ATOM 0 HA THR A 13 4.577 0.148 6.370 1.00 10.00 H new ATOM 0 HB THR A 13 7.598 0.484 6.441 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.291 0.926 8.811 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.148 2.672 7.492 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.484 2.578 5.843 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.403 2.425 7.248 1.00 50.00 H new ATOM 206 N VAL A 14 4.505 0.844 3.994 1.00 10.00 N ATOM 207 CA VAL A 14 4.356 1.353 2.625 1.00 10.00 C ATOM 208 C VAL A 14 3.574 2.684 2.644 1.00 10.00 C ATOM 209 O VAL A 14 3.247 3.225 3.710 1.00 50.00 O ATOM 210 CB VAL A 14 3.613 0.312 1.701 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.403 -1.013 1.574 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.159 0.070 2.185 1.00 50.00 C ATOM 0 H VAL A 14 3.631 0.854 4.520 1.00 10.00 H new ATOM 0 HA VAL A 14 5.353 1.517 2.216 1.00 10.00 H new ATOM 0 HB VAL A 14 3.559 0.744 0.702 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.857 -1.702 0.930 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.383 -0.812 1.142 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.526 -1.459 2.561 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.672 -0.652 1.529 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.174 -0.318 3.203 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.607 1.010 2.163 1.00 50.00 H new ATOM 222 N TRP A 15 3.289 3.189 1.443 1.00 10.00 N ATOM 223 CA TRP A 15 2.453 4.365 1.203 1.00 10.00 C ATOM 224 C TRP A 15 1.329 3.951 0.250 1.00 10.00 C ATOM 225 O TRP A 15 1.483 2.979 -0.502 1.00 50.00 O ATOM 226 CB TRP A 15 3.288 5.505 0.557 1.00 50.00 C ATOM 227 CG TRP A 15 4.395 6.065 1.427 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.401 6.182 2.789 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.661 6.583 0.987 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.574 6.747 3.212 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.364 7.001 2.129 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.259 6.738 -0.266 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.634 7.562 2.062 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.521 7.294 -0.331 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.197 7.703 0.826 1.00 50.00 C ATOM 0 H TRP A 15 3.646 2.776 0.581 1.00 10.00 H new ATOM 0 HA TRP A 15 2.049 4.733 2.146 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.728 5.132 -0.368 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.615 6.318 0.285 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.595 5.873 3.439 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.818 6.946 4.182 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.745 6.430 -1.164 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.156 7.875 2.954 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.997 7.416 -1.293 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.182 8.138 0.739 1.00 50.00 H new ATOM 246 N VAL A 16 0.217 4.689 0.270 1.00 10.00 N ATOM 247 CA VAL A 16 -0.862 4.521 -0.716 1.00 10.00 C ATOM 248 C VAL A 16 -0.874 5.746 -1.633 1.00 10.00 C ATOM 249 O VAL A 16 -1.101 6.868 -1.170 1.00 50.00 O ATOM 250 CB VAL A 16 -2.286 4.293 -0.052 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.438 4.394 -1.092 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.326 2.921 0.663 1.00 50.00 C ATOM 0 H VAL A 16 0.036 5.415 0.963 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.661 3.616 -1.290 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.439 5.087 0.679 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.394 4.231 -0.593 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.431 5.384 -1.548 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.298 3.638 -1.864 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.307 2.775 1.115 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -2.138 2.128 -0.061 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.561 2.893 1.439 1.00 50.00 H new ATOM 262 N ARG A 17 -0.564 5.510 -2.920 1.00 10.00 N ATOM 263 CA ARG A 17 -0.609 6.522 -3.974 1.00 10.00 C ATOM 264 C ARG A 17 -2.068 6.778 -4.401 1.00 10.00 C ATOM 265 O ARG A 17 -2.779 5.839 -4.773 1.00 50.00 O ATOM 266 CB ARG A 17 0.224 6.045 -5.200 1.00 50.00 C ATOM 267 CG ARG A 17 0.118 6.955 -6.453 1.00 50.00 C ATOM 268 CD ARG A 17 0.836 6.377 -7.683 1.00 50.00 C ATOM 269 NE ARG A 17 2.298 6.309 -7.505 1.00 50.00 N ATOM 270 CZ ARG A 17 3.073 5.256 -7.814 1.00 50.00 C ATOM 271 NH1 ARG A 17 2.553 4.134 -8.318 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.383 5.335 -7.624 1.00 75.00 N ATOM 0 H ARG A 17 -0.271 4.593 -3.256 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.185 7.450 -3.591 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.271 5.977 -4.905 1.00 50.00 H new ATOM 0 HB3 ARG A 17 -0.097 5.039 -5.471 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.934 7.110 -6.694 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.539 7.933 -6.221 1.00 50.00 H new ATOM 0 HD2 ARG A 17 0.452 5.378 -7.887 1.00 50.00 H new ATOM 0 HD3 ARG A 17 0.608 6.991 -8.554 1.00 50.00 H new ATOM 0 HE ARG A 17 2.760 7.130 -7.114 1.00 50.00 H new ATOM 0 HH11 ARG A 17 1.548 4.064 -8.476 1.00 75.00 H new ATOM 0 HH12 ARG A 17 3.161 3.347 -8.545 1.00 75.00 H new ATOM 0 HH21 ARG A 17 4.793 6.189 -7.247 1.00 75.00 H new ATOM 0 HH22 ARG A 17 4.981 4.541 -7.855 1.00 75.00 H new ATOM 286 N ARG A 18 -2.497 8.046 -4.319 1.00 10.00 N ATOM 287 CA ARG A 18 -3.758 8.519 -4.910 1.00 10.00 C ATOM 288 C ARG A 18 -3.519 9.881 -5.558 1.00 10.00 C ATOM 289 O ARG A 18 -2.791 10.709 -5.004 1.00 50.00 O ATOM 290 CB ARG A 18 -4.890 8.601 -3.854 1.00 50.00 C ATOM 291 CG ARG A 18 -6.281 8.986 -4.440 1.00 50.00 C ATOM 292 CD ARG A 18 -7.423 8.797 -3.433 1.00 50.00 C ATOM 293 NE ARG A 18 -7.478 7.399 -2.959 1.00 75.00 N ATOM 294 CZ ARG A 18 -8.247 6.928 -1.966 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.079 7.729 -1.293 1.00 75.00 N ATOM 296 NH2 ARG A 18 -8.171 5.639 -1.635 1.00 75.00 N ATOM 0 H ARG A 18 -1.975 8.778 -3.837 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.083 7.804 -5.666 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.974 7.637 -3.351 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.612 9.333 -3.096 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.258 10.026 -4.765 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.478 8.380 -5.324 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -7.281 9.468 -2.586 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.372 9.066 -3.897 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.873 6.728 -3.432 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -9.138 8.719 -1.531 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.655 7.350 -0.541 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -7.532 5.021 -2.135 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -8.751 5.271 -0.881 1.00 75.00 H new ATOM 310 N HIS A 19 -4.139 10.096 -6.735 1.00 50.00 N ATOM 311 CA HIS A 19 -4.000 11.343 -7.512 1.00 50.00 C ATOM 312 C HIS A 19 -4.430 12.578 -6.698 1.00 50.00 C ATOM 313 O HIS A 19 -3.699 13.575 -6.669 1.00 75.00 O ATOM 314 CB HIS A 19 -4.818 11.258 -8.838 1.00 75.00 C ATOM 315 CG HIS A 19 -4.195 10.402 -9.908 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.129 10.785 -11.233 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.619 9.176 -9.851 1.00 75.00 C ATOM 318 CE1 HIS A 19 -3.538 9.837 -11.931 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.221 8.854 -11.118 1.00 75.00 N ATOM 0 H HIS A 19 -4.751 9.408 -7.174 1.00 50.00 H new ATOM 0 HA HIS A 19 -2.943 11.458 -7.753 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -5.811 10.868 -8.612 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.953 12.266 -9.231 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.497 8.567 -8.968 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -3.346 9.863 -12.993 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -2.753 7.989 -11.389 1.00 75.00 H new ATOM 328 N GLN A 20 -5.599 12.455 -6.012 1.00 75.00 N ATOM 329 CA GLN A 20 -6.301 13.573 -5.327 1.00 75.00 C ATOM 330 C GLN A 20 -6.804 14.597 -6.377 1.00 75.00 C ATOM 331 O GLN A 20 -8.012 14.715 -6.632 1.00 75.00 O ATOM 332 CB GLN A 20 -5.403 14.250 -4.230 1.00 75.00 C ATOM 333 CG GLN A 20 -5.000 13.321 -3.060 1.00 75.00 C ATOM 334 CD GLN A 20 -6.178 12.836 -2.204 1.00 75.00 C ATOM 335 OE1 GLN A 20 -6.159 11.726 -1.678 1.00 75.00 O ATOM 336 NE2 GLN A 20 -7.195 13.675 -2.014 1.00 75.00 N ATOM 0 H GLN A 20 -6.086 11.564 -5.919 1.00 75.00 H new ATOM 0 HA GLN A 20 -7.164 13.166 -4.800 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -4.497 14.628 -4.704 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -5.935 15.111 -3.825 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -4.478 12.453 -3.464 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -4.293 13.849 -2.419 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -7.190 14.592 -2.461 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -7.979 13.400 -1.422 1.00 75.00 H new ATOM 345 N THR A 21 -5.851 15.310 -6.981 1.00 75.00 N ATOM 346 CA THR A 21 -6.058 16.162 -8.156 1.00 75.00 C ATOM 347 C THR A 21 -6.071 15.277 -9.433 1.00 75.00 C ATOM 348 O THR A 21 -5.239 14.375 -9.572 1.00 75.00 O ATOM 349 CB THR A 21 -4.914 17.229 -8.222 1.00 75.00 C ATOM 350 OG1 THR A 21 -3.641 16.564 -8.133 1.00 75.00 O ATOM 351 CG2 THR A 21 -5.016 18.272 -7.089 1.00 75.00 C ATOM 0 H THR A 21 -4.884 15.311 -6.657 1.00 75.00 H new ATOM 0 HA THR A 21 -7.014 16.681 -8.087 1.00 75.00 H new ATOM 0 HB THR A 21 -5.013 17.758 -9.170 1.00 75.00 H new ATOM 0 HG1 THR A 21 -3.036 17.090 -7.569 1.00 75.00 H new ATOM 0 HG21 THR A 21 -4.200 18.989 -7.180 1.00 75.00 H new ATOM 0 HG22 THR A 21 -5.969 18.796 -7.162 1.00 75.00 H new ATOM 0 HG23 THR A 21 -4.951 17.769 -6.124 1.00 75.00 H new ATOM 359 N LYS A 22 -7.017 15.560 -10.349 1.00 75.00 N ATOM 360 CA LYS A 22 -7.346 14.681 -11.501 1.00 75.00 C ATOM 361 C LYS A 22 -6.153 14.485 -12.470 1.00 75.00 C ATOM 362 O LYS A 22 -5.758 13.352 -12.785 1.00 75.00 O ATOM 363 CB LYS A 22 -8.551 15.290 -12.284 1.00 75.00 C ATOM 364 CG LYS A 22 -9.820 15.536 -11.431 1.00 75.00 C ATOM 365 CD LYS A 22 -10.934 16.263 -12.226 1.00 75.00 C ATOM 366 CE LYS A 22 -12.142 16.660 -11.361 1.00 75.00 C ATOM 367 NZ LYS A 22 -12.859 15.481 -10.812 1.00 75.00 N ATOM 0 H LYS A 22 -7.581 16.409 -10.315 1.00 75.00 H new ATOM 0 HA LYS A 22 -7.598 13.700 -11.098 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -8.238 16.236 -12.726 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -8.807 14.622 -13.107 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -10.201 14.582 -11.067 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -9.556 16.129 -10.555 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -10.516 17.158 -12.686 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -11.273 15.617 -13.036 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -11.805 17.291 -10.539 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -12.832 17.256 -11.958 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -13.664 15.801 -10.237 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -13.206 14.890 -11.595 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -12.210 14.925 -10.220 1.00 75.00 H new ATOM 381 N ASN A 23 -5.571 15.615 -12.902 1.00 75.00 N ATOM 382 CA ASN A 23 -4.574 15.666 -14.001 1.00 75.00 C ATOM 383 C ASN A 23 -3.155 15.951 -13.491 1.00 50.00 C ATOM 384 O ASN A 23 -2.183 15.746 -14.226 1.00 50.00 O ATOM 385 CB ASN A 23 -4.998 16.739 -15.046 1.00 50.00 C ATOM 386 CG ASN A 23 -6.267 16.349 -15.809 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.385 16.622 -15.368 1.00 75.00 O ATOM 388 ND2 ASN A 23 -6.108 15.711 -16.962 1.00 75.00 N ATOM 0 H ASN A 23 -5.776 16.530 -12.500 1.00 75.00 H new ATOM 0 HA ASN A 23 -4.552 14.683 -14.470 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.161 17.690 -14.539 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.184 16.891 -15.755 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -6.924 15.433 -17.508 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.170 15.498 -17.302 1.00 75.00 H new ATOM 395 N LEU A 24 -3.029 16.428 -12.241 1.00 10.00 N ATOM 396 CA LEU A 24 -1.709 16.734 -11.645 1.00 50.00 C ATOM 397 C LEU A 24 -1.037 15.447 -11.129 1.00 50.00 C ATOM 398 O LEU A 24 -1.660 14.375 -11.121 1.00 50.00 O ATOM 399 CB LEU A 24 -1.833 17.787 -10.514 1.00 50.00 C ATOM 400 CG LEU A 24 -2.512 19.144 -10.888 1.00 75.00 C ATOM 401 CD1 LEU A 24 -2.513 20.118 -9.689 1.00 75.00 C ATOM 402 CD2 LEU A 24 -1.859 19.786 -12.133 1.00 75.00 C ATOM 0 H LEU A 24 -3.819 16.611 -11.623 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.078 17.161 -12.424 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -2.395 17.340 -9.694 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -0.833 18.000 -10.137 1.00 50.00 H new ATOM 0 HG LEU A 24 -3.550 18.929 -11.142 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -2.992 21.053 -9.980 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -3.061 19.673 -8.859 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -1.487 20.317 -9.381 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -2.359 20.727 -12.361 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -0.804 19.974 -11.934 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -1.953 19.110 -12.983 1.00 75.00 H new ATOM 414 N GLU A 25 0.235 15.582 -10.698 1.00 50.00 N ATOM 415 CA GLU A 25 1.090 14.448 -10.282 1.00 10.00 C ATOM 416 C GLU A 25 0.432 13.613 -9.150 1.00 10.00 C ATOM 417 O GLU A 25 0.017 14.193 -8.138 1.00 50.00 O ATOM 418 CB GLU A 25 2.466 14.976 -9.802 1.00 50.00 C ATOM 419 CG GLU A 25 3.248 15.788 -10.852 1.00 50.00 C ATOM 420 CD GLU A 25 4.495 16.469 -10.266 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.359 17.559 -9.668 1.00 75.00 O ATOM 422 OE2 GLU A 25 5.612 15.921 -10.385 1.00 75.00 O ATOM 0 H GLU A 25 0.701 16.486 -10.628 1.00 50.00 H new ATOM 0 HA GLU A 25 1.220 13.798 -11.147 1.00 10.00 H new ATOM 0 HB2 GLU A 25 2.313 15.599 -8.921 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.076 14.128 -9.490 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.548 15.128 -11.666 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.593 16.546 -11.281 1.00 50.00 H new ATOM 429 N PRO A 26 0.306 12.250 -9.314 1.00 10.00 N ATOM 430 CA PRO A 26 -0.255 11.352 -8.271 1.00 50.00 C ATOM 431 C PRO A 26 0.497 11.466 -6.930 1.00 10.00 C ATOM 432 O PRO A 26 1.716 11.296 -6.871 1.00 50.00 O ATOM 433 CB PRO A 26 -0.104 9.935 -8.882 1.00 50.00 C ATOM 434 CG PRO A 26 -0.051 10.166 -10.361 1.00 50.00 C ATOM 435 CD PRO A 26 0.670 11.483 -10.539 1.00 50.00 C ATOM 0 HA PRO A 26 -1.287 11.605 -8.029 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.801 9.443 -8.525 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.943 9.295 -8.610 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.478 9.358 -10.866 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -1.053 10.206 -10.788 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.748 11.342 -10.618 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.348 11.997 -11.445 1.00 50.00 H new ATOM 443 N ARG A 27 -0.258 11.757 -5.871 1.00 10.00 N ATOM 444 CA ARG A 27 0.272 12.001 -4.519 1.00 10.00 C ATOM 445 C ARG A 27 0.243 10.672 -3.723 1.00 10.00 C ATOM 446 O ARG A 27 -0.150 9.643 -4.271 1.00 50.00 O ATOM 447 CB ARG A 27 -0.602 13.120 -3.876 1.00 50.00 C ATOM 448 CG ARG A 27 -0.081 13.728 -2.555 1.00 50.00 C ATOM 449 CD ARG A 27 -0.884 14.981 -2.154 1.00 50.00 C ATOM 450 NE ARG A 27 -0.832 16.012 -3.217 1.00 50.00 N ATOM 451 CZ ARG A 27 -0.260 17.223 -3.114 1.00 75.00 C ATOM 452 NH1 ARG A 27 0.333 17.624 -1.987 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.267 18.029 -4.171 1.00 75.00 N ATOM 0 H ARG A 27 -1.274 11.832 -5.924 1.00 10.00 H new ATOM 0 HA ARG A 27 1.309 12.338 -4.528 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.713 13.926 -4.602 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.597 12.714 -3.696 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.145 12.984 -1.761 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.972 13.989 -2.664 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.921 14.706 -1.961 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.485 15.391 -1.226 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.271 15.781 -4.108 1.00 50.00 H new ATOM 0 HH11 ARG A 27 0.359 17.005 -1.177 1.00 75.00 H new ATOM 0 HH12 ARG A 27 0.760 18.549 -1.936 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.702 17.724 -5.042 1.00 75.00 H new ATOM 0 HH22 ARG A 27 0.163 18.952 -4.111 1.00 75.00 H new ATOM 467 N TRP A 28 0.697 10.686 -2.461 1.00 10.00 N ATOM 468 CA TRP A 28 0.646 9.511 -1.565 1.00 10.00 C ATOM 469 C TRP A 28 0.417 9.957 -0.115 1.00 10.00 C ATOM 470 O TRP A 28 0.604 11.136 0.219 1.00 50.00 O ATOM 471 CB TRP A 28 1.951 8.657 -1.683 1.00 50.00 C ATOM 472 CG TRP A 28 3.238 9.446 -1.510 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.007 9.969 -2.507 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.893 9.805 -0.281 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.096 10.611 -1.981 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.047 10.531 -0.619 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.615 9.582 1.074 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.917 11.033 0.343 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.475 10.080 2.029 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.617 10.800 1.659 1.00 50.00 C ATOM 0 H TRP A 28 1.111 11.511 -2.028 1.00 10.00 H new ATOM 0 HA TRP A 28 -0.191 8.884 -1.872 1.00 10.00 H new ATOM 0 HB2 TRP A 28 1.921 7.866 -0.934 1.00 50.00 H new ATOM 0 HB3 TRP A 28 1.966 8.172 -2.659 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.788 9.888 -3.562 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.827 11.075 -2.520 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.737 9.026 1.367 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.800 11.588 0.062 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.265 9.913 3.075 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.275 11.180 2.427 1.00 50.00 H new ATOM 491 N LYS A 29 0.008 8.998 0.734 1.00 10.00 N ATOM 492 CA LYS A 29 -0.057 9.174 2.203 1.00 10.00 C ATOM 493 C LYS A 29 0.628 7.970 2.876 1.00 10.00 C ATOM 494 O LYS A 29 0.779 6.917 2.249 1.00 50.00 O ATOM 495 CB LYS A 29 -1.524 9.293 2.713 1.00 50.00 C ATOM 496 CG LYS A 29 -2.402 10.352 1.998 1.00 50.00 C ATOM 497 CD LYS A 29 -3.756 10.618 2.707 1.00 50.00 C ATOM 498 CE LYS A 29 -4.500 9.333 3.137 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.741 8.390 2.008 1.00 75.00 N ATOM 0 H LYS A 29 -0.289 8.073 0.423 1.00 10.00 H new ATOM 0 HA LYS A 29 0.453 10.102 2.459 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.005 8.320 2.610 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.501 9.526 3.778 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.846 11.287 1.932 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.595 10.023 0.977 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.579 11.236 3.588 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.398 11.192 2.039 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -3.920 8.826 3.908 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -5.456 9.606 3.584 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -4.570 7.415 2.327 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -5.725 8.480 1.684 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.096 8.616 1.224 1.00 75.00 H new ATOM 513 N GLY A 30 1.013 8.130 4.156 1.00 10.00 N ATOM 514 CA GLY A 30 1.638 7.055 4.927 1.00 10.00 C ATOM 515 C GLY A 30 1.775 7.421 6.415 1.00 10.00 C ATOM 516 O GLY A 30 1.318 8.495 6.820 1.00 50.00 O ATOM 0 H GLY A 30 0.898 9.001 4.674 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.044 6.146 4.830 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.623 6.838 4.514 1.00 10.00 H new ATOM 520 N PRO A 31 2.390 6.539 7.274 1.00 10.00 N ATOM 521 CA PRO A 31 2.856 5.188 6.887 1.00 10.00 C ATOM 522 C PRO A 31 1.754 4.101 7.021 1.00 10.00 C ATOM 523 O PRO A 31 1.231 3.842 8.115 1.00 50.00 O ATOM 524 CB PRO A 31 4.027 4.945 7.867 1.00 50.00 C ATOM 525 CG PRO A 31 3.685 5.725 9.113 1.00 50.00 C ATOM 526 CD PRO A 31 2.715 6.832 8.701 1.00 50.00 C ATOM 0 HA PRO A 31 3.141 5.128 5.837 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.139 3.883 8.088 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.971 5.283 7.440 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.232 5.075 9.861 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.584 6.148 9.561 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.819 6.824 9.321 1.00 50.00 H new ATOM 0 HD3 PRO A 31 3.169 7.817 8.810 1.00 50.00 H new ATOM 534 N TYR A 32 1.388 3.506 5.880 1.00 10.00 N ATOM 535 CA TYR A 32 0.509 2.323 5.816 1.00 10.00 C ATOM 536 C TYR A 32 1.312 1.040 6.110 1.00 10.00 C ATOM 537 O TYR A 32 2.542 1.081 6.180 1.00 50.00 O ATOM 538 CB TYR A 32 -0.168 2.250 4.425 1.00 50.00 C ATOM 539 CG TYR A 32 -1.260 3.303 4.208 1.00 50.00 C ATOM 540 CD1 TYR A 32 -0.975 4.569 3.699 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.595 3.012 4.512 1.00 50.00 C ATOM 542 CE1 TYR A 32 -1.979 5.501 3.504 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.596 3.936 4.316 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.284 5.180 3.810 1.00 50.00 C ATOM 545 OH TYR A 32 -4.287 6.100 3.607 1.00 50.00 O ATOM 0 H TYR A 32 1.695 3.832 4.963 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.268 2.411 6.575 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.594 2.368 3.655 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.602 1.259 4.295 1.00 50.00 H new ATOM 0 HD1 TYR A 32 0.045 4.826 3.453 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -2.845 2.040 4.910 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.740 6.479 3.112 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.619 3.688 4.557 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.146 5.711 3.874 1.00 50.00 H new ATOM 555 N THR A 33 0.604 -0.091 6.303 1.00 10.00 N ATOM 556 CA THR A 33 1.220 -1.386 6.659 1.00 10.00 C ATOM 557 C THR A 33 0.525 -2.548 5.906 1.00 10.00 C ATOM 558 O THR A 33 -0.627 -2.867 6.201 1.00 50.00 O ATOM 559 CB THR A 33 1.126 -1.622 8.218 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.216 -1.391 8.670 1.00 50.00 O ATOM 561 CG2 THR A 33 2.092 -0.723 9.023 1.00 50.00 C ATOM 0 H THR A 33 -0.411 -0.133 6.216 1.00 10.00 H new ATOM 0 HA THR A 33 2.269 -1.360 6.364 1.00 10.00 H new ATOM 0 HB THR A 33 1.417 -2.658 8.394 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.849 -1.756 8.017 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.981 -0.931 10.087 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.118 -0.927 8.718 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.859 0.324 8.832 1.00 50.00 H new ATOM 569 N VAL A 34 1.234 -3.178 4.938 1.00 10.00 N ATOM 570 CA VAL A 34 0.720 -4.345 4.193 1.00 10.00 C ATOM 571 C VAL A 34 0.733 -5.586 5.099 1.00 10.00 C ATOM 572 O VAL A 34 1.738 -5.868 5.783 1.00 50.00 O ATOM 573 CB VAL A 34 1.540 -4.643 2.873 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.988 -5.872 2.113 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.574 -3.414 1.945 1.00 50.00 C ATOM 0 H VAL A 34 2.171 -2.891 4.656 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.299 -4.105 3.890 1.00 10.00 H new ATOM 0 HB VAL A 34 2.560 -4.872 3.183 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.581 -6.040 1.214 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.044 -6.752 2.754 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.050 -5.692 1.835 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.145 -3.652 1.047 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.556 -3.140 1.666 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.045 -2.579 2.464 1.00 50.00 H new ATOM 585 N LEU A 35 -0.411 -6.284 5.131 1.00 10.00 N ATOM 586 CA LEU A 35 -0.566 -7.565 5.824 1.00 10.00 C ATOM 587 C LEU A 35 -0.428 -8.719 4.806 1.00 10.00 C ATOM 588 O LEU A 35 0.412 -9.609 4.965 1.00 50.00 O ATOM 589 CB LEU A 35 -1.947 -7.632 6.542 1.00 50.00 C ATOM 590 CG LEU A 35 -2.308 -6.427 7.477 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.654 -6.664 8.196 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.181 -6.112 8.487 1.00 50.00 C ATOM 0 H LEU A 35 -1.264 -5.968 4.669 1.00 10.00 H new ATOM 0 HA LEU A 35 0.213 -7.660 6.580 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.723 -7.718 5.782 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.979 -8.546 7.135 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.415 -5.550 6.839 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.879 -5.812 8.838 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.446 -6.780 7.456 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.589 -7.567 8.802 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.478 -5.270 9.112 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.001 -6.985 9.115 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.269 -5.859 7.947 1.00 50.00 H new ATOM 604 N LEU A 36 -1.250 -8.665 3.737 1.00 10.00 N ATOM 605 CA LEU A 36 -1.349 -9.754 2.732 1.00 10.00 C ATOM 606 C LEU A 36 -0.738 -9.284 1.396 1.00 10.00 C ATOM 607 O LEU A 36 -0.959 -8.146 0.978 1.00 50.00 O ATOM 608 CB LEU A 36 -2.844 -10.141 2.530 1.00 50.00 C ATOM 609 CG LEU A 36 -3.145 -11.371 1.598 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.731 -12.703 2.259 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.627 -11.391 1.160 1.00 50.00 C ATOM 0 H LEU A 36 -1.862 -7.872 3.543 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.799 -10.627 3.085 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -3.276 -10.345 3.510 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.366 -9.274 2.125 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.537 -11.257 0.700 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.955 -13.529 1.584 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.662 -12.687 2.471 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -3.283 -12.835 3.189 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.805 -12.253 0.517 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -5.266 -11.458 2.041 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.857 -10.476 0.613 1.00 50.00 H new ATOM 623 N THR A 37 0.003 -10.178 0.718 1.00 10.00 N ATOM 624 CA THR A 37 0.631 -9.889 -0.586 1.00 10.00 C ATOM 625 C THR A 37 0.245 -10.988 -1.593 1.00 10.00 C ATOM 626 O THR A 37 0.390 -12.184 -1.297 1.00 50.00 O ATOM 627 CB THR A 37 2.201 -9.781 -0.496 1.00 50.00 C ATOM 628 OG1 THR A 37 2.779 -11.026 -0.090 1.00 50.00 O ATOM 629 CG2 THR A 37 2.657 -8.682 0.478 1.00 50.00 C ATOM 0 H THR A 37 0.184 -11.122 1.058 1.00 10.00 H new ATOM 0 HA THR A 37 0.262 -8.918 -0.917 1.00 10.00 H new ATOM 0 HB THR A 37 2.545 -9.521 -1.497 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.752 -10.985 -0.196 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.746 -8.648 0.504 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.272 -7.718 0.145 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.277 -8.900 1.476 1.00 50.00 H new ATOM 637 N THR A 38 -0.241 -10.564 -2.766 1.00 10.00 N ATOM 638 CA THR A 38 -0.682 -11.445 -3.875 1.00 10.00 C ATOM 639 C THR A 38 -0.331 -10.749 -5.229 1.00 10.00 C ATOM 640 O THR A 38 -0.070 -9.544 -5.220 1.00 50.00 O ATOM 641 CB THR A 38 -2.233 -11.751 -3.774 1.00 50.00 C ATOM 642 OG1 THR A 38 -2.965 -10.541 -3.535 1.00 50.00 O ATOM 643 CG2 THR A 38 -2.578 -12.773 -2.668 1.00 50.00 C ATOM 0 H THR A 38 -0.345 -9.573 -2.984 1.00 10.00 H new ATOM 0 HA THR A 38 -0.165 -12.402 -3.812 1.00 10.00 H new ATOM 0 HB THR A 38 -2.520 -12.189 -4.730 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.369 -9.771 -3.645 1.00 50.00 H new ATOM 0 HG21 THR A 38 -3.655 -12.940 -2.650 1.00 50.00 H new ATOM 0 HG22 THR A 38 -2.068 -13.715 -2.871 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.254 -12.386 -1.702 1.00 50.00 H new ATOM 651 N PRO A 39 -0.270 -11.498 -6.392 1.00 10.00 N ATOM 652 CA PRO A 39 -0.024 -10.908 -7.749 1.00 10.00 C ATOM 653 C PRO A 39 -0.820 -9.602 -8.049 1.00 10.00 C ATOM 654 O PRO A 39 -2.054 -9.633 -8.168 1.00 50.00 O ATOM 655 CB PRO A 39 -0.461 -12.053 -8.690 1.00 50.00 C ATOM 656 CG PRO A 39 -0.103 -13.302 -7.942 1.00 50.00 C ATOM 657 CD PRO A 39 -0.364 -12.991 -6.477 1.00 50.00 C ATOM 0 HA PRO A 39 1.012 -10.587 -7.861 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.529 -12.008 -8.902 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.056 -12.000 -9.648 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -0.706 -14.146 -8.277 1.00 50.00 H new ATOM 0 HG3 PRO A 39 0.940 -13.571 -8.106 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -1.346 -13.346 -6.164 1.00 50.00 H new ATOM 0 HD3 PRO A 39 0.370 -13.473 -5.831 1.00 50.00 H new ATOM 665 N THR A 40 -0.087 -8.461 -8.093 1.00 10.00 N ATOM 666 CA THR A 40 -0.615 -7.120 -8.466 1.00 10.00 C ATOM 667 C THR A 40 -1.676 -6.585 -7.437 1.00 10.00 C ATOM 668 O THR A 40 -2.354 -5.578 -7.678 1.00 50.00 O ATOM 669 CB THR A 40 -1.171 -7.133 -9.950 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.231 -7.819 -10.809 1.00 50.00 O ATOM 671 CG2 THR A 40 -1.400 -5.720 -10.532 1.00 50.00 C ATOM 0 H THR A 40 0.907 -8.445 -7.866 1.00 10.00 H new ATOM 0 HA THR A 40 0.216 -6.416 -8.427 1.00 10.00 H new ATOM 0 HB THR A 40 -2.135 -7.640 -9.911 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.574 -7.829 -11.727 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.781 -5.803 -11.550 1.00 50.00 H new ATOM 0 HG22 THR A 40 -2.124 -5.186 -9.916 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.457 -5.173 -10.541 1.00 50.00 H new ATOM 679 N ALA A 41 -1.766 -7.235 -6.258 1.00 10.00 N ATOM 680 CA ALA A 41 -2.726 -6.858 -5.200 1.00 10.00 C ATOM 681 C ALA A 41 -2.065 -6.988 -3.820 1.00 10.00 C ATOM 682 O ALA A 41 -1.598 -8.064 -3.448 1.00 50.00 O ATOM 683 CB ALA A 41 -3.989 -7.744 -5.285 1.00 50.00 C ATOM 0 H ALA A 41 -1.178 -8.032 -6.014 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.025 -5.820 -5.345 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.689 -7.456 -4.500 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.461 -7.612 -6.258 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -3.709 -8.790 -5.156 1.00 50.00 H new ATOM 689 N LEU A 42 -2.031 -5.879 -3.066 1.00 10.00 N ATOM 690 CA LEU A 42 -1.496 -5.841 -1.700 1.00 10.00 C ATOM 691 C LEU A 42 -2.612 -5.349 -0.773 1.00 10.00 C ATOM 692 O LEU A 42 -3.180 -4.276 -1.002 1.00 50.00 O ATOM 693 CB LEU A 42 -0.251 -4.896 -1.611 1.00 50.00 C ATOM 694 CG LEU A 42 0.944 -5.215 -2.574 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.144 -4.279 -2.318 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.376 -6.691 -2.492 1.00 50.00 C ATOM 0 H LEU A 42 -2.377 -4.977 -3.392 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.166 -6.836 -1.402 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.583 -3.876 -1.806 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.122 -4.919 -0.587 1.00 50.00 H new ATOM 0 HG LEU A 42 0.585 -5.035 -3.587 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.953 -4.529 -3.004 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.839 -3.245 -2.478 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.488 -4.401 -1.291 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.206 -6.866 -3.176 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.690 -6.922 -1.474 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.538 -7.331 -2.768 1.00 50.00 H new ATOM 708 N LYS A 43 -2.960 -6.156 0.234 1.00 10.00 N ATOM 709 CA LYS A 43 -3.960 -5.778 1.234 1.00 10.00 C ATOM 710 C LYS A 43 -3.255 -5.157 2.444 1.00 10.00 C ATOM 711 O LYS A 43 -2.524 -5.852 3.170 1.00 50.00 O ATOM 712 CB LYS A 43 -4.809 -6.992 1.679 1.00 50.00 C ATOM 713 CG LYS A 43 -5.916 -6.634 2.705 1.00 50.00 C ATOM 714 CD LYS A 43 -6.792 -7.848 3.083 1.00 50.00 C ATOM 715 CE LYS A 43 -8.024 -7.447 3.905 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.937 -8.600 4.113 1.00 75.00 N ATOM 0 H LYS A 43 -2.559 -7.083 0.377 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.637 -5.052 0.785 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.271 -7.443 0.801 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -4.151 -7.744 2.114 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.454 -6.230 3.606 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.549 -5.849 2.292 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.115 -8.357 2.175 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -6.195 -8.560 3.652 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.706 -7.054 4.871 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.558 -6.646 3.395 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.759 -8.295 4.672 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -9.259 -8.959 3.191 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.433 -9.354 4.622 1.00 75.00 H new ATOM 730 N VAL A 44 -3.470 -3.852 2.621 1.00 10.00 N ATOM 731 CA VAL A 44 -2.994 -3.086 3.778 1.00 10.00 C ATOM 732 C VAL A 44 -4.030 -3.192 4.927 1.00 10.00 C ATOM 733 O VAL A 44 -5.213 -3.480 4.683 1.00 50.00 O ATOM 734 CB VAL A 44 -2.762 -1.576 3.352 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.396 -0.664 4.541 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.697 -1.479 2.228 1.00 50.00 C ATOM 0 H VAL A 44 -3.990 -3.285 1.951 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.046 -3.491 4.132 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.714 -1.211 2.966 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.250 0.356 4.186 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.202 -0.681 5.274 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.477 -1.022 5.005 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.554 -0.434 1.951 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.753 -1.893 2.584 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.034 -2.042 1.358 1.00 50.00 H new ATOM 746 N ASP A 45 -3.564 -2.991 6.170 1.00 10.00 N ATOM 747 CA ASP A 45 -4.418 -2.936 7.368 1.00 10.00 C ATOM 748 C ASP A 45 -5.444 -1.787 7.255 1.00 10.00 C ATOM 749 O ASP A 45 -5.064 -0.613 7.184 1.00 50.00 O ATOM 750 CB ASP A 45 -3.524 -2.746 8.618 1.00 50.00 C ATOM 751 CG ASP A 45 -4.312 -2.678 9.941 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.749 -3.737 10.442 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.482 -1.567 10.499 1.00 50.00 O ATOM 0 H ASP A 45 -2.573 -2.861 6.374 1.00 10.00 H new ATOM 0 HA ASP A 45 -4.973 -3.870 7.458 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.811 -3.569 8.672 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.945 -1.830 8.503 1.00 50.00 H new ATOM 758 N GLY A 46 -6.739 -2.148 7.219 1.00 10.00 N ATOM 759 CA GLY A 46 -7.833 -1.175 7.108 1.00 10.00 C ATOM 760 C GLY A 46 -8.533 -1.208 5.750 1.00 10.00 C ATOM 761 O GLY A 46 -9.631 -0.656 5.609 1.00 50.00 O ATOM 0 H GLY A 46 -7.052 -3.118 7.266 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.565 -1.370 7.892 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.439 -0.174 7.282 1.00 10.00 H new ATOM 765 N ILE A 47 -7.903 -1.860 4.751 1.00 10.00 N ATOM 766 CA ILE A 47 -8.421 -1.930 3.365 1.00 10.00 C ATOM 767 C ILE A 47 -9.557 -2.965 3.245 1.00 10.00 C ATOM 768 O ILE A 47 -9.507 -4.024 3.883 1.00 50.00 O ATOM 769 CB ILE A 47 -7.248 -2.249 2.358 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.198 -1.089 2.379 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.745 -2.538 0.918 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.744 0.301 2.080 1.00 50.00 C ATOM 0 H ILE A 47 -7.020 -2.354 4.881 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.840 -0.958 3.106 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.771 -3.169 2.695 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.724 -1.070 3.361 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.418 -1.317 1.653 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.891 -2.750 0.274 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.413 -3.399 0.930 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.280 -1.668 0.536 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.932 1.027 2.121 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.190 0.311 1.085 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.501 0.561 2.819 1.00 50.00 H new ATOM 784 N ALA A 48 -10.567 -2.620 2.401 1.00 10.00 N ATOM 785 CA ALA A 48 -11.793 -3.414 2.191 1.00 10.00 C ATOM 786 C ALA A 48 -11.485 -4.861 1.769 1.00 10.00 C ATOM 787 O ALA A 48 -12.001 -5.807 2.373 1.00 50.00 O ATOM 788 CB ALA A 48 -12.697 -2.719 1.153 1.00 50.00 C ATOM 0 H ALA A 48 -10.544 -1.767 1.842 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.319 -3.471 3.144 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.600 -3.311 1.003 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.969 -1.727 1.514 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.162 -2.628 0.208 1.00 50.00 H new ATOM 794 N ALA A 49 -10.627 -5.023 0.735 1.00 10.00 N ATOM 795 CA ALA A 49 -10.188 -6.357 0.279 1.00 10.00 C ATOM 796 C ALA A 49 -8.774 -6.328 -0.330 1.00 10.00 C ATOM 797 O ALA A 49 -7.888 -7.042 0.140 1.00 50.00 O ATOM 798 CB ALA A 49 -11.196 -6.932 -0.733 1.00 50.00 C ATOM 0 H ALA A 49 -10.228 -4.248 0.205 1.00 10.00 H new ATOM 0 HA ALA A 49 -10.148 -7.004 1.156 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.861 -7.916 -1.062 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -12.175 -7.021 -0.261 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -11.267 -6.267 -1.594 1.00 50.00 H new ATOM 804 N TRP A 50 -8.558 -5.515 -1.384 1.00 10.00 N ATOM 805 CA TRP A 50 -7.249 -5.449 -2.095 1.00 10.00 C ATOM 806 C TRP A 50 -6.942 -4.018 -2.556 1.00 10.00 C ATOM 807 O TRP A 50 -7.858 -3.246 -2.860 1.00 50.00 O ATOM 808 CB TRP A 50 -7.210 -6.394 -3.338 1.00 50.00 C ATOM 809 CG TRP A 50 -7.518 -7.848 -3.040 1.00 50.00 C ATOM 810 CD1 TRP A 50 -6.681 -8.766 -2.472 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.746 -8.552 -3.318 1.00 50.00 C ATOM 812 NE1 TRP A 50 -7.313 -9.978 -2.365 1.00 50.00 N ATOM 813 CE2 TRP A 50 -8.577 -9.876 -2.876 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.972 -8.186 -3.890 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -9.581 -10.837 -2.988 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.967 -9.141 -4.003 1.00 50.00 C ATOM 817 CH2 TRP A 50 -10.769 -10.452 -3.552 1.00 50.00 C ATOM 0 H TRP A 50 -9.269 -4.892 -1.768 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.495 -5.776 -1.379 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.924 -6.030 -4.076 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.221 -6.332 -3.793 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -5.669 -8.566 -2.153 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -6.904 -10.823 -1.967 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -10.137 -7.177 -4.236 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -9.428 -11.849 -2.643 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.914 -8.870 -4.447 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -11.567 -11.173 -3.651 1.00 50.00 H new ATOM 828 N ILE A 51 -5.642 -3.680 -2.625 1.00 10.00 N ATOM 829 CA ILE A 51 -5.150 -2.475 -3.315 1.00 10.00 C ATOM 830 C ILE A 51 -4.333 -2.915 -4.537 1.00 10.00 C ATOM 831 O ILE A 51 -3.376 -3.677 -4.401 1.00 50.00 O ATOM 832 CB ILE A 51 -4.273 -1.562 -2.363 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.144 -0.949 -1.225 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.527 -0.452 -3.138 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.280 -0.055 -1.700 1.00 50.00 C ATOM 0 H ILE A 51 -4.900 -4.238 -2.202 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.005 -1.874 -3.625 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.516 -2.205 -1.915 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.564 -1.761 -0.631 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.498 -0.371 -0.564 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.940 0.147 -2.441 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.864 -0.905 -3.875 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.250 0.187 -3.645 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.829 0.324 -0.838 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.872 0.782 -2.267 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.954 -0.630 -2.335 1.00 50.00 H new ATOM 847 N HIS A 52 -4.744 -2.454 -5.732 1.00 10.00 N ATOM 848 CA HIS A 52 -4.006 -2.696 -6.981 1.00 10.00 C ATOM 849 C HIS A 52 -2.638 -1.997 -6.835 1.00 10.00 C ATOM 850 O HIS A 52 -2.604 -0.798 -6.559 1.00 50.00 O ATOM 851 CB HIS A 52 -4.826 -2.145 -8.185 1.00 50.00 C ATOM 852 CG HIS A 52 -4.336 -2.556 -9.549 1.00 50.00 C ATOM 853 ND1 HIS A 52 -3.317 -1.919 -10.226 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.771 -3.535 -10.381 1.00 50.00 C ATOM 855 CE1 HIS A 52 -3.145 -2.494 -11.401 1.00 50.00 C ATOM 856 NE2 HIS A 52 -4.014 -3.471 -11.515 1.00 50.00 N ATOM 0 H HIS A 52 -5.595 -1.905 -5.857 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.851 -3.759 -7.168 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.860 -2.471 -8.077 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.828 -1.056 -8.132 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.569 -4.236 -10.183 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.414 -2.209 -12.143 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -4.109 -4.086 -12.324 1.00 50.00 H new ATOM 865 N ALA A 53 -1.542 -2.765 -7.022 1.00 10.00 N ATOM 866 CA ALA A 53 -0.165 -2.434 -6.545 1.00 10.00 C ATOM 867 C ALA A 53 0.385 -1.061 -7.012 1.00 10.00 C ATOM 868 O ALA A 53 1.326 -0.538 -6.408 1.00 50.00 O ATOM 869 CB ALA A 53 0.804 -3.579 -6.916 1.00 50.00 C ATOM 0 H ALA A 53 -1.583 -3.655 -7.519 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.241 -2.337 -5.462 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.807 -3.334 -6.567 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.471 -4.504 -6.445 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.818 -3.707 -7.998 1.00 50.00 H new ATOM 875 N ALA A 54 -0.208 -0.483 -8.069 1.00 10.00 N ATOM 876 CA ALA A 54 0.156 0.861 -8.579 1.00 10.00 C ATOM 877 C ALA A 54 -0.332 1.999 -7.644 1.00 10.00 C ATOM 878 O ALA A 54 -0.048 3.172 -7.883 1.00 50.00 O ATOM 879 CB ALA A 54 -0.380 1.034 -10.008 1.00 50.00 C ATOM 0 H ALA A 54 -0.956 -0.930 -8.599 1.00 10.00 H new ATOM 0 HA ALA A 54 1.243 0.933 -8.598 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -0.111 2.023 -10.380 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.055 0.272 -10.655 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -1.465 0.930 -10.005 1.00 50.00 H new ATOM 885 N HIS A 55 -1.083 1.635 -6.591 1.00 10.00 N ATOM 886 CA HIS A 55 -1.454 2.542 -5.485 1.00 10.00 C ATOM 887 C HIS A 55 -0.602 2.226 -4.235 1.00 10.00 C ATOM 888 O HIS A 55 -0.969 2.614 -3.132 1.00 50.00 O ATOM 889 CB HIS A 55 -2.960 2.408 -5.112 1.00 50.00 C ATOM 890 CG HIS A 55 -3.942 2.705 -6.205 1.00 50.00 C ATOM 891 ND1 HIS A 55 -4.172 3.975 -6.678 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.795 1.896 -6.880 1.00 50.00 C ATOM 893 CE1 HIS A 55 -5.110 3.930 -7.599 1.00 50.00 C ATOM 894 NE2 HIS A 55 -5.507 2.688 -7.740 1.00 50.00 N ATOM 0 H HIS A 55 -1.455 0.692 -6.480 1.00 10.00 H new ATOM 0 HA HIS A 55 -1.268 3.561 -5.823 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -3.137 1.392 -4.760 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -3.166 3.076 -4.275 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -3.692 4.818 -6.365 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.894 0.827 -6.761 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -5.491 4.778 -8.149 1.00 50.00 H new ATOM 903 N VAL A 56 0.520 1.504 -4.407 1.00 10.00 N ATOM 904 CA VAL A 56 1.440 1.171 -3.291 1.00 10.00 C ATOM 905 C VAL A 56 2.864 1.648 -3.626 1.00 10.00 C ATOM 906 O VAL A 56 3.336 1.477 -4.758 1.00 50.00 O ATOM 907 CB VAL A 56 1.469 -0.378 -2.958 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.401 -0.674 -1.755 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.050 -0.939 -2.705 1.00 50.00 C ATOM 0 H VAL A 56 0.817 1.136 -5.311 1.00 10.00 H new ATOM 0 HA VAL A 56 1.063 1.686 -2.408 1.00 10.00 H new ATOM 0 HB VAL A 56 1.871 -0.887 -3.834 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.401 -1.744 -1.549 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.414 -0.350 -1.992 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.044 -0.136 -0.877 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.114 -2.004 -2.480 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.403 -0.417 -1.862 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.563 -0.792 -3.594 1.00 50.00 H new ATOM 919 N LYS A 57 3.535 2.264 -2.630 1.00 10.00 N ATOM 920 CA LYS A 57 4.939 2.705 -2.726 1.00 10.00 C ATOM 921 C LYS A 57 5.673 2.260 -1.443 1.00 10.00 C ATOM 922 O LYS A 57 5.335 2.733 -0.357 1.00 50.00 O ATOM 923 CB LYS A 57 5.015 4.249 -2.871 1.00 50.00 C ATOM 924 CG LYS A 57 4.234 4.840 -4.068 1.00 50.00 C ATOM 925 CD LYS A 57 4.365 6.378 -4.165 1.00 50.00 C ATOM 926 CE LYS A 57 5.818 6.835 -4.379 1.00 50.00 C ATOM 927 NZ LYS A 57 5.928 8.310 -4.522 1.00 75.00 N ATOM 0 H LYS A 57 3.110 2.471 -1.726 1.00 10.00 H new ATOM 0 HA LYS A 57 5.407 2.260 -3.604 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.639 4.702 -1.954 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.062 4.538 -2.963 1.00 50.00 H new ATOM 0 HG2 LYS A 57 4.597 4.390 -4.992 1.00 50.00 H new ATOM 0 HG3 LYS A 57 3.181 4.574 -3.976 1.00 50.00 H new ATOM 0 HD2 LYS A 57 3.749 6.740 -4.988 1.00 50.00 H new ATOM 0 HD3 LYS A 57 3.976 6.830 -3.253 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.428 6.507 -3.537 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.221 6.354 -5.271 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 6.909 8.604 -4.343 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 5.655 8.587 -5.487 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 5.297 8.773 -3.837 1.00 75.00 H new ATOM 941 N ALA A 58 6.664 1.355 -1.577 1.00 10.00 N ATOM 942 CA ALA A 58 7.407 0.776 -0.433 1.00 10.00 C ATOM 943 C ALA A 58 8.138 1.875 0.380 1.00 10.00 C ATOM 944 O ALA A 58 8.958 2.612 -0.169 1.00 50.00 O ATOM 945 CB ALA A 58 8.398 -0.288 -0.943 1.00 50.00 C ATOM 0 H ALA A 58 6.974 1.003 -2.483 1.00 10.00 H new ATOM 0 HA ALA A 58 6.694 0.300 0.240 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.943 -0.712 -0.099 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.851 -1.079 -1.456 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.103 0.173 -1.635 1.00 50.00 H new ATOM 951 N ALA A 59 7.817 1.977 1.685 1.00 10.00 N ATOM 952 CA ALA A 59 8.350 3.028 2.583 1.00 10.00 C ATOM 953 C ALA A 59 9.363 2.447 3.580 1.00 10.00 C ATOM 954 O ALA A 59 9.336 1.250 3.893 1.00 50.00 O ATOM 955 CB ALA A 59 7.196 3.707 3.342 1.00 50.00 C ATOM 0 H ALA A 59 7.179 1.332 2.150 1.00 10.00 H new ATOM 0 HA ALA A 59 8.865 3.768 1.970 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.597 4.478 4.000 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.508 4.161 2.628 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.664 2.964 3.936 1.00 50.00 H new ATOM 961 N ASP A 60 10.254 3.316 4.068 1.00 10.00 N ATOM 962 CA ASP A 60 11.271 2.979 5.075 1.00 10.00 C ATOM 963 C ASP A 60 10.776 3.473 6.455 1.00 50.00 C ATOM 964 O ASP A 60 10.649 4.689 6.655 1.00 50.00 O ATOM 965 CB ASP A 60 12.637 3.638 4.688 1.00 50.00 C ATOM 966 CG ASP A 60 13.852 3.257 5.572 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.719 2.448 6.521 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.961 3.782 5.316 1.00 75.00 O ATOM 0 H ASP A 60 10.291 4.291 3.770 1.00 10.00 H new ATOM 0 HA ASP A 60 11.425 1.901 5.120 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.866 3.372 3.656 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.516 4.721 4.719 1.00 50.00 H new ATOM 973 N PRO A 61 10.479 2.543 7.425 1.00 50.00 N ATOM 974 CA PRO A 61 10.067 2.923 8.798 1.00 50.00 C ATOM 975 C PRO A 61 11.258 3.356 9.687 1.00 50.00 C ATOM 976 O PRO A 61 11.054 4.008 10.723 1.00 75.00 O ATOM 977 CB PRO A 61 9.413 1.621 9.330 1.00 75.00 C ATOM 978 CG PRO A 61 10.156 0.516 8.638 1.00 75.00 C ATOM 979 CD PRO A 61 10.508 1.054 7.259 1.00 50.00 C ATOM 0 HA PRO A 61 9.404 3.788 8.807 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.506 1.544 10.413 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.348 1.589 9.099 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.054 0.242 9.192 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.542 -0.381 8.563 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.490 0.709 6.936 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.791 0.723 6.508 1.00 50.00 H new ATOM 987 N GLY A 62 12.493 3.001 9.266 1.00 50.00 N ATOM 988 CA GLY A 62 13.688 3.126 10.106 1.00 50.00 C ATOM 989 C GLY A 62 13.812 1.939 11.045 1.00 75.00 C ATOM 990 O GLY A 62 14.751 1.143 10.956 1.00 75.00 O ATOM 0 H GLY A 62 12.680 2.622 8.338 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.575 3.192 9.477 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.637 4.049 10.684 1.00 50.00 H new ATOM 994 N GLY A 63 12.824 1.819 11.927 1.00 75.00 N ATOM 995 CA GLY A 63 12.666 0.667 12.799 1.00 75.00 C ATOM 996 C GLY A 63 11.246 0.635 13.326 1.00 75.00 C ATOM 997 O GLY A 63 10.305 0.557 12.525 1.00 75.00 O ATOM 0 H GLY A 63 12.104 2.530 12.055 1.00 75.00 H new ATOM 0 HA2 GLY A 63 12.885 -0.251 12.253 1.00 75.00 H new ATOM 0 HA3 GLY A 63 13.373 0.722 13.627 1.00 75.00 H new ATOM 1001 N GLY A 64 11.093 0.753 14.663 1.00 75.00 N ATOM 1002 CA GLY A 64 9.784 0.751 15.329 1.00 75.00 C ATOM 1003 C GLY A 64 8.952 -0.498 15.048 1.00 75.00 C ATOM 1004 O GLY A 64 7.899 -0.398 14.408 1.00 75.00 O ATOM 0 H GLY A 64 11.878 0.852 15.306 1.00 75.00 H new ATOM 0 HA2 GLY A 64 9.934 0.842 16.405 1.00 75.00 H new ATOM 0 HA3 GLY A 64 9.223 1.629 15.010 1.00 75.00 H new ATOM 1008 N PRO A 65 9.398 -1.717 15.496 1.00 75.00 N ATOM 1009 CA PRO A 65 8.664 -2.982 15.246 1.00 75.00 C ATOM 1010 C PRO A 65 7.623 -3.304 16.335 1.00 75.00 C ATOM 1011 O PRO A 65 6.906 -4.287 16.206 1.00 75.00 O ATOM 1012 CB PRO A 65 9.811 -4.015 15.240 1.00 75.00 C ATOM 1013 CG PRO A 65 10.804 -3.498 16.250 1.00 75.00 C ATOM 1014 CD PRO A 65 10.652 -1.978 16.276 1.00 75.00 C ATOM 0 HA PRO A 65 8.073 -2.955 14.330 1.00 75.00 H new ATOM 0 HB2 PRO A 65 9.451 -5.007 15.512 1.00 75.00 H new ATOM 0 HB3 PRO A 65 10.261 -4.100 14.251 1.00 75.00 H new ATOM 0 HG2 PRO A 65 10.611 -3.923 17.235 1.00 75.00 H new ATOM 0 HG3 PRO A 65 11.820 -3.781 15.974 1.00 75.00 H new ATOM 0 HD2 PRO A 65 10.571 -1.604 17.297 1.00 75.00 H new ATOM 0 HD3 PRO A 65 11.512 -1.485 15.823 1.00 75.00 H new ATOM 1022 N SER A 66 7.521 -2.419 17.344 1.00 75.00 N ATOM 1023 CA SER A 66 6.808 -2.655 18.619 1.00 75.00 C ATOM 1024 C SER A 66 5.372 -3.206 18.448 1.00 75.00 C ATOM 1025 O SER A 66 5.061 -4.317 18.904 1.00 75.00 O ATOM 1026 CB SER A 66 6.792 -1.333 19.420 1.00 75.00 C ATOM 1027 OG SER A 66 6.287 -0.265 18.628 1.00 75.00 O ATOM 0 H SER A 66 7.944 -1.492 17.296 1.00 75.00 H new ATOM 0 HA SER A 66 7.348 -3.435 19.156 1.00 75.00 H new ATOM 0 HB2 SER A 66 6.177 -1.451 20.312 1.00 75.00 H new ATOM 0 HB3 SER A 66 7.801 -1.095 19.757 1.00 75.00 H new ATOM 0 HG SER A 66 6.284 0.561 19.156 1.00 75.00 H new ATOM 1033 N SER A 67 4.513 -2.423 17.773 1.00 75.00 N ATOM 1034 CA SER A 67 3.092 -2.768 17.564 1.00 75.00 C ATOM 1035 C SER A 67 2.929 -3.832 16.450 1.00 75.00 C ATOM 1036 O SER A 67 1.858 -4.430 16.303 1.00 75.00 O ATOM 1037 CB SER A 67 2.299 -1.477 17.227 1.00 75.00 C ATOM 1038 OG SER A 67 0.908 -1.716 17.126 1.00 75.00 O ATOM 0 H SER A 67 4.782 -1.532 17.356 1.00 75.00 H new ATOM 0 HA SER A 67 2.693 -3.204 18.480 1.00 75.00 H new ATOM 0 HB2 SER A 67 2.482 -0.728 17.998 1.00 75.00 H new ATOM 0 HB3 SER A 67 2.664 -1.063 16.287 1.00 75.00 H new ATOM 0 HG SER A 67 0.756 -2.618 16.774 1.00 75.00 H new ATOM 1044 N ARG A 68 4.007 -4.059 15.674 1.00 75.00 N ATOM 1045 CA ARG A 68 4.032 -5.037 14.560 1.00 75.00 C ATOM 1046 C ARG A 68 4.688 -6.374 14.982 1.00 75.00 C ATOM 1047 O ARG A 68 4.788 -7.289 14.163 1.00 75.00 O ATOM 1048 CB ARG A 68 4.775 -4.407 13.342 1.00 75.00 C ATOM 1049 CG ARG A 68 4.080 -3.142 12.778 1.00 75.00 C ATOM 1050 CD ARG A 68 4.869 -2.483 11.636 1.00 75.00 C ATOM 1051 NE ARG A 68 6.196 -1.993 12.057 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.249 -1.801 11.239 1.00 75.00 C ATOM 1053 NH1 ARG A 68 7.170 -2.051 9.929 1.00 75.00 N ATOM 1054 NH2 ARG A 68 8.378 -1.329 11.736 1.00 75.00 N ATOM 0 H ARG A 68 4.892 -3.568 15.800 1.00 75.00 H new ATOM 0 HA ARG A 68 3.005 -5.269 14.277 1.00 75.00 H new ATOM 0 HB2 ARG A 68 5.792 -4.150 13.640 1.00 75.00 H new ATOM 0 HB3 ARG A 68 4.854 -5.152 12.550 1.00 75.00 H new ATOM 0 HG2 ARG A 68 3.086 -3.410 12.419 1.00 75.00 H new ATOM 0 HG3 ARG A 68 3.944 -2.419 13.583 1.00 75.00 H new ATOM 0 HD2 ARG A 68 4.994 -3.202 10.826 1.00 75.00 H new ATOM 0 HD3 ARG A 68 4.291 -1.650 11.236 1.00 75.00 H new ATOM 0 HE ARG A 68 6.326 -1.783 13.047 1.00 75.00 H new ATOM 0 HH11 ARG A 68 6.298 -2.395 9.527 1.00 75.00 H new ATOM 0 HH12 ARG A 68 7.982 -1.897 9.331 1.00 75.00 H new ATOM 0 HH21 ARG A 68 8.447 -1.114 12.731 1.00 75.00 H new ATOM 0 HH22 ARG A 68 9.181 -1.180 11.125 1.00 75.00 H new ATOM 1068 N LEU A 69 5.096 -6.486 16.272 1.00 75.00 N ATOM 1069 CA LEU A 69 5.676 -7.731 16.852 1.00 75.00 C ATOM 1070 C LEU A 69 4.621 -8.855 17.035 1.00 75.00 C ATOM 1071 O LEU A 69 4.970 -9.960 17.467 1.00 75.00 O ATOM 1072 CB LEU A 69 6.362 -7.429 18.226 1.00 75.00 C ATOM 1073 CG LEU A 69 7.698 -6.613 18.197 1.00 75.00 C ATOM 1074 CD1 LEU A 69 8.187 -6.273 19.626 1.00 75.00 C ATOM 1075 CD2 LEU A 69 8.788 -7.359 17.408 1.00 75.00 C ATOM 0 H LEU A 69 5.033 -5.718 16.941 1.00 75.00 H new ATOM 0 HA LEU A 69 6.418 -8.089 16.138 1.00 75.00 H new ATOM 0 HB2 LEU A 69 5.649 -6.887 18.847 1.00 75.00 H new ATOM 0 HB3 LEU A 69 6.558 -8.380 18.721 1.00 75.00 H new ATOM 0 HG LEU A 69 7.494 -5.673 17.685 1.00 75.00 H new ATOM 0 HD11 LEU A 69 9.116 -5.706 19.567 1.00 75.00 H new ATOM 0 HD12 LEU A 69 7.431 -5.677 20.137 1.00 75.00 H new ATOM 0 HD13 LEU A 69 8.359 -7.195 20.181 1.00 75.00 H new ATOM 0 HD21 LEU A 69 9.704 -6.768 17.405 1.00 75.00 H new ATOM 0 HD22 LEU A 69 8.980 -8.324 17.877 1.00 75.00 H new ATOM 0 HD23 LEU A 69 8.453 -7.514 16.382 1.00 75.00 H new ATOM 1087 N THR A 70 3.348 -8.557 16.714 1.00 75.00 N ATOM 1088 CA THR A 70 2.228 -9.497 16.855 1.00 75.00 C ATOM 1089 C THR A 70 2.375 -10.703 15.889 1.00 75.00 C ATOM 1090 O THR A 70 2.496 -11.851 16.342 1.00 75.00 O ATOM 1091 CB THR A 70 0.870 -8.752 16.597 1.00 75.00 C ATOM 1092 OG1 THR A 70 0.846 -7.512 17.328 1.00 75.00 O ATOM 1093 CG2 THR A 70 -0.343 -9.601 17.006 1.00 75.00 C ATOM 0 H THR A 70 3.069 -7.647 16.346 1.00 75.00 H new ATOM 0 HA THR A 70 2.237 -9.886 17.873 1.00 75.00 H new ATOM 0 HB THR A 70 0.803 -8.563 15.526 1.00 75.00 H new ATOM 0 HG1 THR A 70 -0.003 -7.051 17.162 1.00 75.00 H new ATOM 0 HG21 THR A 70 -1.259 -9.045 16.809 1.00 75.00 H new ATOM 0 HG22 THR A 70 -0.350 -10.527 16.431 1.00 75.00 H new ATOM 0 HG23 THR A 70 -0.282 -9.835 18.069 1.00 75.00 H new ATOM 1101 N TRP A 71 2.360 -10.414 14.562 1.00 75.00 N ATOM 1102 CA TRP A 71 2.515 -11.418 13.476 1.00 75.00 C ATOM 1103 C TRP A 71 1.544 -12.624 13.601 1.00 75.00 C ATOM 1104 O TRP A 71 1.879 -13.764 13.239 1.00 75.00 O ATOM 1105 CB TRP A 71 3.999 -11.876 13.367 1.00 75.00 C ATOM 1106 CG TRP A 71 4.955 -10.774 12.936 1.00 75.00 C ATOM 1107 CD1 TRP A 71 4.834 -9.961 11.839 1.00 75.00 C ATOM 1108 CD2 TRP A 71 6.183 -10.389 13.571 1.00 75.00 C ATOM 1109 NE1 TRP A 71 5.888 -9.092 11.771 1.00 75.00 N ATOM 1110 CE2 TRP A 71 6.730 -9.333 12.821 1.00 75.00 C ATOM 1111 CE3 TRP A 71 6.864 -10.828 14.707 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 7.927 -8.711 13.165 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 8.053 -10.214 15.050 1.00 75.00 C ATOM 1114 CH2 TRP A 71 8.572 -9.163 14.282 1.00 75.00 C ATOM 0 H TRP A 71 2.238 -9.464 14.211 1.00 75.00 H new ATOM 0 HA TRP A 71 2.234 -10.922 12.547 1.00 75.00 H new ATOM 0 HB2 TRP A 71 4.321 -12.265 14.333 1.00 75.00 H new ATOM 0 HB3 TRP A 71 4.064 -12.698 12.655 1.00 75.00 H new ATOM 0 HD1 TRP A 71 4.021 -10.001 11.129 1.00 75.00 H new ATOM 0 HE1 TRP A 71 6.024 -8.380 11.054 1.00 75.00 H new ATOM 0 HE3 TRP A 71 6.468 -11.634 15.308 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 8.330 -7.903 12.572 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 8.591 -10.549 15.924 1.00 75.00 H new ATOM 0 HH2 TRP A 71 9.502 -8.700 14.579 1.00 75.00 H new ATOM 1125 N ARG A 72 0.313 -12.330 14.053 1.00 75.00 N ATOM 1126 CA ARG A 72 -0.742 -13.344 14.282 1.00 75.00 C ATOM 1127 C ARG A 72 -1.278 -13.943 12.957 1.00 75.00 C ATOM 1128 O ARG A 72 -1.734 -15.087 12.921 1.00 75.00 O ATOM 1129 CB ARG A 72 -1.901 -12.722 15.100 1.00 75.00 C ATOM 1130 CG ARG A 72 -2.632 -11.550 14.397 1.00 75.00 C ATOM 1131 CD ARG A 72 -3.776 -10.962 15.237 1.00 75.00 C ATOM 1132 NE ARG A 72 -4.458 -9.858 14.541 1.00 75.00 N ATOM 1133 CZ ARG A 72 -5.395 -9.062 15.087 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -5.787 -9.228 16.353 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -5.930 -8.092 14.358 1.00 75.00 N ATOM 0 H ARG A 72 0.016 -11.379 14.272 1.00 75.00 H new ATOM 0 HA ARG A 72 -0.295 -14.163 14.846 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -2.628 -13.502 15.327 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -1.507 -12.368 16.052 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -1.912 -10.763 14.173 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -3.031 -11.898 13.444 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -4.497 -11.746 15.467 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -3.381 -10.603 16.187 1.00 75.00 H new ATOM 0 HE ARG A 72 -4.200 -9.683 13.570 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -5.375 -9.967 16.922 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -6.499 -8.615 16.751 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -5.630 -7.955 13.393 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -6.641 -7.483 14.763 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.225 -13.146 11.872 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.681 -13.564 10.527 1.00 75.00 C ATOM 1151 C VAL A 73 -0.620 -14.478 9.856 1.00 75.00 C ATOM 1152 O VAL A 73 -0.935 -15.288 8.978 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.979 -12.297 9.631 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.551 -12.668 8.240 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.915 -11.305 10.367 1.00 50.00 C ATOM 0 H VAL A 73 -0.865 -12.192 11.901 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.604 -14.134 10.631 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.021 -11.807 9.455 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.736 -11.759 7.668 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.834 -13.292 7.706 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.486 -13.215 8.365 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.104 -10.442 9.729 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.859 -11.799 10.599 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.441 -10.976 11.292 1.00 50.00 H new ATOM 1165 N GLN A 74 0.636 -14.367 10.341 1.00 75.00 N ATOM 1166 CA GLN A 74 1.802 -15.112 9.817 1.00 75.00 C ATOM 1167 C GLN A 74 1.883 -16.546 10.388 1.00 75.00 C ATOM 1168 O GLN A 74 2.862 -17.260 10.133 1.00 75.00 O ATOM 1169 CB GLN A 74 3.096 -14.322 10.162 1.00 75.00 C ATOM 1170 CG GLN A 74 3.179 -12.917 9.529 1.00 75.00 C ATOM 1171 CD GLN A 74 3.374 -12.952 8.010 1.00 75.00 C ATOM 1172 OE1 GLN A 74 4.502 -13.004 7.532 1.00 75.00 O ATOM 1173 NE2 GLN A 74 2.293 -12.917 7.246 1.00 75.00 N ATOM 0 H GLN A 74 0.872 -13.749 11.118 1.00 75.00 H new ATOM 0 HA GLN A 74 1.692 -15.208 8.737 1.00 75.00 H new ATOM 0 HB2 GLN A 74 3.168 -14.223 11.245 1.00 75.00 H new ATOM 0 HB3 GLN A 74 3.959 -14.904 9.837 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.267 -12.367 9.759 1.00 75.00 H new ATOM 0 HG3 GLN A 74 4.005 -12.369 9.983 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.368 -12.874 7.673 1.00 75.00 H new ATOM 0 HE22 GLN A 74 2.386 -12.933 6.230 1.00 75.00 H new ATOM 1182 N ARG A 75 0.859 -16.959 11.174 1.00 75.00 N ATOM 1183 CA ARG A 75 0.786 -18.312 11.764 1.00 75.00 C ATOM 1184 C ARG A 75 0.249 -19.314 10.718 1.00 75.00 C ATOM 1185 O ARG A 75 -0.925 -19.701 10.731 1.00 75.00 O ATOM 1186 CB ARG A 75 -0.076 -18.291 13.062 1.00 75.00 C ATOM 1187 CG ARG A 75 0.356 -17.264 14.146 1.00 75.00 C ATOM 1188 CD ARG A 75 1.815 -17.420 14.634 1.00 75.00 C ATOM 1189 NE ARG A 75 2.815 -16.943 13.654 1.00 75.00 N ATOM 1190 CZ ARG A 75 4.083 -17.387 13.554 1.00 75.00 C ATOM 1191 NH1 ARG A 75 4.549 -18.324 14.380 1.00 75.00 N ATOM 1192 NH2 ARG A 75 4.871 -16.926 12.592 1.00 75.00 N ATOM 0 H ARG A 75 0.066 -16.365 11.414 1.00 75.00 H new ATOM 0 HA ARG A 75 1.785 -18.641 12.050 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -1.110 -18.085 12.785 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -0.057 -19.287 13.504 1.00 75.00 H new ATOM 0 HG2 ARG A 75 0.225 -16.258 13.747 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -0.312 -17.357 15.002 1.00 75.00 H new ATOM 0 HD2 ARG A 75 1.939 -16.870 15.567 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.006 -18.470 14.856 1.00 75.00 H new ATOM 0 HE ARG A 75 2.520 -16.218 13.000 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.943 -18.716 15.101 1.00 75.00 H new ATOM 0 HH12 ARG A 75 5.512 -18.649 14.291 1.00 75.00 H new ATOM 0 HH21 ARG A 75 4.517 -16.236 11.929 1.00 75.00 H new ATOM 0 HH22 ARG A 75 5.831 -17.261 12.515 1.00 75.00 H new ATOM 1206 N SER A 76 1.139 -19.667 9.780 1.00 75.00 N ATOM 1207 CA SER A 76 0.872 -20.554 8.631 1.00 75.00 C ATOM 1208 C SER A 76 2.232 -21.191 8.246 1.00 75.00 C ATOM 1209 O SER A 76 3.013 -21.550 9.146 1.00 75.00 O ATOM 1210 CB SER A 76 0.271 -19.706 7.465 1.00 75.00 C ATOM 1211 OG SER A 76 -0.893 -18.998 7.872 1.00 75.00 O ATOM 0 H SER A 76 2.102 -19.332 9.798 1.00 75.00 H new ATOM 0 HA SER A 76 0.151 -21.338 8.862 1.00 75.00 H new ATOM 0 HB2 SER A 76 1.019 -18.999 7.106 1.00 75.00 H new ATOM 0 HB3 SER A 76 0.024 -20.361 6.629 1.00 75.00 H new ATOM 0 HG SER A 76 -1.664 -19.603 7.864 1.00 75.00 H new ATOM 1217 N GLN A 77 2.519 -21.356 6.932 1.00 75.00 N ATOM 1218 CA GLN A 77 3.901 -21.552 6.444 1.00 75.00 C ATOM 1219 C GLN A 77 4.664 -20.251 6.779 1.00 75.00 C ATOM 1220 O GLN A 77 4.373 -19.213 6.176 1.00 75.00 O ATOM 1221 CB GLN A 77 3.911 -21.845 4.895 1.00 75.00 C ATOM 1222 CG GLN A 77 5.202 -22.515 4.326 1.00 75.00 C ATOM 1223 CD GLN A 77 6.489 -21.658 4.360 1.00 75.00 C ATOM 1224 OE1 GLN A 77 6.457 -20.434 4.272 1.00 75.00 O ATOM 1225 NE2 GLN A 77 7.637 -22.302 4.454 1.00 75.00 N ATOM 0 H GLN A 77 1.813 -21.357 6.196 1.00 75.00 H new ATOM 0 HA GLN A 77 4.374 -22.411 6.919 1.00 75.00 H new ATOM 0 HB2 GLN A 77 3.061 -22.487 4.663 1.00 75.00 H new ATOM 0 HB3 GLN A 77 3.753 -20.904 4.368 1.00 75.00 H new ATOM 0 HG2 GLN A 77 5.387 -23.432 4.885 1.00 75.00 H new ATOM 0 HG3 GLN A 77 5.011 -22.805 3.293 1.00 75.00 H new ATOM 0 HE21 GLN A 77 7.647 -23.319 4.526 1.00 75.00 H new ATOM 0 HE22 GLN A 77 8.515 -21.782 4.454 1.00 75.00 H new ATOM 1234 N ASN A 78 5.600 -20.324 7.753 1.00 75.00 N ATOM 1235 CA ASN A 78 6.239 -19.140 8.377 1.00 75.00 C ATOM 1236 C ASN A 78 6.989 -18.266 7.335 1.00 75.00 C ATOM 1237 O ASN A 78 8.032 -18.681 6.823 1.00 75.00 O ATOM 1238 CB ASN A 78 7.196 -19.586 9.528 1.00 75.00 C ATOM 1239 CG ASN A 78 7.939 -18.412 10.195 1.00 75.00 C ATOM 1240 OD1 ASN A 78 7.415 -17.762 11.102 1.00 75.00 O ATOM 1241 ND2 ASN A 78 9.160 -18.140 9.758 1.00 75.00 N ATOM 0 H ASN A 78 5.936 -21.210 8.131 1.00 75.00 H new ATOM 0 HA ASN A 78 5.448 -18.520 8.799 1.00 75.00 H new ATOM 0 HB2 ASN A 78 6.619 -20.118 10.284 1.00 75.00 H new ATOM 0 HB3 ASN A 78 7.927 -20.290 9.131 1.00 75.00 H new ATOM 0 HD21 ASN A 78 9.692 -17.375 10.174 1.00 75.00 H new ATOM 0 HD22 ASN A 78 9.568 -18.695 9.006 1.00 75.00 H new ATOM 1248 N PRO A 79 6.450 -17.049 6.991 1.00 75.00 N ATOM 1249 CA PRO A 79 7.103 -16.096 6.067 1.00 75.00 C ATOM 1250 C PRO A 79 8.060 -15.128 6.794 1.00 75.00 C ATOM 1251 O PRO A 79 8.703 -14.287 6.158 1.00 75.00 O ATOM 1252 CB PRO A 79 5.884 -15.348 5.436 1.00 75.00 C ATOM 1253 CG PRO A 79 4.650 -15.896 6.129 1.00 75.00 C ATOM 1254 CD PRO A 79 5.146 -16.485 7.426 1.00 75.00 C ATOM 0 HA PRO A 79 7.741 -16.586 5.332 1.00 75.00 H new ATOM 0 HB2 PRO A 79 5.968 -14.271 5.584 1.00 75.00 H new ATOM 0 HB3 PRO A 79 5.836 -15.519 4.361 1.00 75.00 H new ATOM 0 HG2 PRO A 79 3.919 -15.108 6.310 1.00 75.00 H new ATOM 0 HG3 PRO A 79 4.159 -16.652 5.517 1.00 75.00 H new ATOM 0 HD2 PRO A 79 5.260 -15.732 8.206 1.00 75.00 H new ATOM 0 HD3 PRO A 79 4.474 -17.249 7.817 1.00 75.00 H new ATOM 1262 N LEU A 80 8.136 -15.255 8.131 1.00 75.00 N ATOM 1263 CA LEU A 80 8.982 -14.406 8.976 1.00 75.00 C ATOM 1264 C LEU A 80 10.446 -14.841 8.832 1.00 75.00 C ATOM 1265 O LEU A 80 10.910 -15.747 9.527 1.00 75.00 O ATOM 1266 CB LEU A 80 8.506 -14.487 10.451 1.00 75.00 C ATOM 1267 CG LEU A 80 7.050 -14.008 10.715 1.00 75.00 C ATOM 1268 CD1 LEU A 80 6.660 -14.204 12.192 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.856 -12.543 10.264 1.00 75.00 C ATOM 0 H LEU A 80 7.608 -15.954 8.654 1.00 75.00 H new ATOM 0 HA LEU A 80 8.902 -13.367 8.658 1.00 75.00 H new ATOM 0 HB2 LEU A 80 8.596 -15.520 10.787 1.00 75.00 H new ATOM 0 HB3 LEU A 80 9.182 -13.892 11.065 1.00 75.00 H new ATOM 0 HG LEU A 80 6.380 -14.625 10.117 1.00 75.00 H new ATOM 0 HD11 LEU A 80 5.637 -13.860 12.347 1.00 75.00 H new ATOM 0 HD12 LEU A 80 6.731 -15.261 12.450 1.00 75.00 H new ATOM 0 HD13 LEU A 80 7.336 -13.630 12.826 1.00 75.00 H new ATOM 0 HD21 LEU A 80 5.829 -12.235 10.460 1.00 75.00 H new ATOM 0 HD22 LEU A 80 7.540 -11.899 10.816 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.062 -12.461 9.197 1.00 75.00 H new ATOM 1281 N LYS A 81 11.138 -14.225 7.868 1.00 75.00 N ATOM 1282 CA LYS A 81 12.526 -14.558 7.527 1.00 75.00 C ATOM 1283 C LYS A 81 13.461 -13.555 8.212 1.00 75.00 C ATOM 1284 O LYS A 81 13.560 -12.399 7.789 1.00 75.00 O ATOM 1285 CB LYS A 81 12.685 -14.575 5.981 1.00 75.00 C ATOM 1286 CG LYS A 81 11.705 -15.552 5.293 1.00 75.00 C ATOM 1287 CD LYS A 81 11.830 -15.612 3.754 1.00 75.00 C ATOM 1288 CE LYS A 81 10.739 -16.508 3.136 1.00 75.00 C ATOM 1289 NZ LYS A 81 10.876 -16.652 1.660 1.00 75.00 N ATOM 0 H LYS A 81 10.748 -13.475 7.297 1.00 75.00 H new ATOM 0 HA LYS A 81 12.793 -15.552 7.887 1.00 75.00 H new ATOM 0 HB2 LYS A 81 12.523 -13.570 5.592 1.00 75.00 H new ATOM 0 HB3 LYS A 81 13.708 -14.854 5.728 1.00 75.00 H new ATOM 0 HG2 LYS A 81 11.866 -16.552 5.697 1.00 75.00 H new ATOM 0 HG3 LYS A 81 10.686 -15.265 5.551 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.753 -14.606 3.342 1.00 75.00 H new ATOM 0 HD3 LYS A 81 12.814 -15.994 3.482 1.00 75.00 H new ATOM 0 HE2 LYS A 81 10.781 -17.494 3.598 1.00 75.00 H new ATOM 0 HE3 LYS A 81 9.759 -16.090 3.366 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 10.117 -17.264 1.299 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 10.808 -15.716 1.212 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 11.799 -17.077 1.437 1.00 75.00 H new ATOM 1303 N ILE A 82 14.101 -14.010 9.308 1.00 75.00 N ATOM 1304 CA ILE A 82 14.945 -13.165 10.166 1.00 75.00 C ATOM 1305 C ILE A 82 16.297 -12.844 9.471 1.00 75.00 C ATOM 1306 O ILE A 82 17.204 -13.677 9.383 1.00 75.00 O ATOM 1307 CB ILE A 82 15.136 -13.809 11.610 1.00 75.00 C ATOM 1308 CG1 ILE A 82 15.727 -15.261 11.551 1.00 75.00 C ATOM 1309 CG2 ILE A 82 13.786 -13.802 12.382 1.00 75.00 C ATOM 1310 CD1 ILE A 82 16.037 -15.889 12.910 1.00 75.00 C ATOM 0 H ILE A 82 14.044 -14.979 9.621 1.00 75.00 H new ATOM 0 HA ILE A 82 14.433 -12.215 10.319 1.00 75.00 H new ATOM 0 HB ILE A 82 15.862 -13.195 12.142 1.00 75.00 H new ATOM 0 HG12 ILE A 82 15.021 -15.903 11.024 1.00 75.00 H new ATOM 0 HG13 ILE A 82 16.643 -15.241 10.960 1.00 75.00 H new ATOM 0 HG21 ILE A 82 13.928 -14.245 13.368 1.00 75.00 H new ATOM 0 HG22 ILE A 82 13.435 -12.776 12.492 1.00 75.00 H new ATOM 0 HG23 ILE A 82 13.047 -14.381 11.828 1.00 75.00 H new ATOM 0 HD11 ILE A 82 16.441 -16.891 12.764 1.00 75.00 H new ATOM 0 HD12 ILE A 82 16.769 -15.276 13.436 1.00 75.00 H new ATOM 0 HD13 ILE A 82 15.123 -15.949 13.500 1.00 75.00 H new ATOM 1322 N ARG A 83 16.367 -11.632 8.901 1.00 75.00 N ATOM 1323 CA ARG A 83 17.559 -11.112 8.197 1.00 75.00 C ATOM 1324 C ARG A 83 18.499 -10.394 9.190 1.00 75.00 C ATOM 1325 O ARG A 83 18.208 -10.322 10.396 1.00 75.00 O ATOM 1326 CB ARG A 83 17.106 -10.146 7.064 1.00 75.00 C ATOM 1327 CG ARG A 83 16.000 -10.714 6.133 1.00 75.00 C ATOM 1328 CD ARG A 83 15.690 -9.799 4.935 1.00 75.00 C ATOM 1329 NE ARG A 83 16.832 -9.714 4.004 1.00 75.00 N ATOM 1330 CZ ARG A 83 17.177 -8.632 3.281 1.00 75.00 C ATOM 1331 NH1 ARG A 83 16.484 -7.491 3.356 1.00 75.00 N ATOM 1332 NH2 ARG A 83 18.229 -8.703 2.464 1.00 75.00 N ATOM 0 H ARG A 83 15.589 -10.973 8.914 1.00 75.00 H new ATOM 0 HA ARG A 83 18.111 -11.941 7.755 1.00 75.00 H new ATOM 0 HB2 ARG A 83 16.743 -9.222 7.515 1.00 75.00 H new ATOM 0 HB3 ARG A 83 17.974 -9.885 6.458 1.00 75.00 H new ATOM 0 HG2 ARG A 83 16.310 -11.692 5.765 1.00 75.00 H new ATOM 0 HG3 ARG A 83 15.089 -10.866 6.712 1.00 75.00 H new ATOM 0 HD2 ARG A 83 14.816 -10.177 4.405 1.00 75.00 H new ATOM 0 HD3 ARG A 83 15.438 -8.801 5.295 1.00 75.00 H new ATOM 0 HE ARG A 83 17.410 -10.548 3.899 1.00 75.00 H new ATOM 0 HH11 ARG A 83 15.673 -7.426 3.972 1.00 75.00 H new ATOM 0 HH12 ARG A 83 16.766 -6.685 2.798 1.00 75.00 H new ATOM 0 HH21 ARG A 83 18.762 -9.570 2.392 1.00 75.00 H new ATOM 0 HH22 ARG A 83 18.501 -7.890 1.911 1.00 75.00 H new ATOM 1346 N LEU A 84 19.619 -9.844 8.676 1.00 75.00 N ATOM 1347 CA LEU A 84 20.616 -9.127 9.495 1.00 75.00 C ATOM 1348 C LEU A 84 20.186 -7.665 9.717 1.00 75.00 C ATOM 1349 O LEU A 84 20.728 -6.738 9.107 1.00 75.00 O ATOM 1350 CB LEU A 84 22.028 -9.217 8.840 1.00 75.00 C ATOM 1351 CG LEU A 84 22.648 -10.647 8.751 1.00 75.00 C ATOM 1352 CD1 LEU A 84 24.009 -10.629 8.021 1.00 75.00 C ATOM 1353 CD2 LEU A 84 22.772 -11.292 10.152 1.00 75.00 C ATOM 0 H LEU A 84 19.856 -9.885 7.685 1.00 75.00 H new ATOM 0 HA LEU A 84 20.674 -9.605 10.473 1.00 75.00 H new ATOM 0 HB2 LEU A 84 21.967 -8.805 7.833 1.00 75.00 H new ATOM 0 HB3 LEU A 84 22.710 -8.581 9.404 1.00 75.00 H new ATOM 0 HG LEU A 84 21.969 -11.262 8.161 1.00 75.00 H new ATOM 0 HD11 LEU A 84 24.412 -11.641 7.977 1.00 75.00 H new ATOM 0 HD12 LEU A 84 23.874 -10.248 7.009 1.00 75.00 H new ATOM 0 HD13 LEU A 84 24.703 -9.985 8.561 1.00 75.00 H new ATOM 0 HD21 LEU A 84 23.207 -12.287 10.057 1.00 75.00 H new ATOM 0 HD22 LEU A 84 23.413 -10.674 10.781 1.00 75.00 H new ATOM 0 HD23 LEU A 84 21.784 -11.370 10.606 1.00 75.00 H new ATOM 1365 N THR A 85 19.161 -7.486 10.561 1.00 75.00 N ATOM 1366 CA THR A 85 18.687 -6.165 10.989 1.00 75.00 C ATOM 1367 C THR A 85 19.507 -5.698 12.208 1.00 75.00 C ATOM 1368 O THR A 85 19.760 -6.484 13.130 1.00 75.00 O ATOM 1369 CB THR A 85 17.158 -6.204 11.341 1.00 75.00 C ATOM 1370 OG1 THR A 85 16.416 -6.621 10.184 1.00 75.00 O ATOM 1371 CG2 THR A 85 16.613 -4.840 11.829 1.00 75.00 C ATOM 0 H THR A 85 18.635 -8.259 10.968 1.00 75.00 H new ATOM 0 HA THR A 85 18.822 -5.460 10.169 1.00 75.00 H new ATOM 0 HB THR A 85 17.037 -6.911 12.162 1.00 75.00 H new ATOM 0 HG1 THR A 85 15.461 -6.648 10.400 1.00 75.00 H new ATOM 0 HG21 THR A 85 15.551 -4.933 12.056 1.00 75.00 H new ATOM 0 HG22 THR A 85 17.151 -4.533 12.726 1.00 75.00 H new ATOM 0 HG23 THR A 85 16.753 -4.092 11.049 1.00 75.00 H new ATOM 1379 N ARG A 86 19.941 -4.426 12.180 1.00 75.00 N ATOM 1380 CA ARG A 86 20.638 -3.783 13.301 1.00 75.00 C ATOM 1381 C ARG A 86 19.638 -3.512 14.446 1.00 75.00 C ATOM 1382 O ARG A 86 18.954 -2.482 14.464 1.00 75.00 O ATOM 1383 CB ARG A 86 21.333 -2.470 12.825 1.00 75.00 C ATOM 1384 CG ARG A 86 22.486 -2.691 11.819 1.00 75.00 C ATOM 1385 CD ARG A 86 23.209 -1.382 11.443 1.00 75.00 C ATOM 1386 NE ARG A 86 24.382 -1.618 10.581 1.00 75.00 N ATOM 1387 CZ ARG A 86 25.553 -0.953 10.666 1.00 75.00 C ATOM 1388 NH1 ARG A 86 25.737 0.000 11.585 1.00 75.00 N ATOM 1389 NH2 ARG A 86 26.530 -1.240 9.819 1.00 75.00 N ATOM 0 H ARG A 86 19.816 -3.814 11.373 1.00 75.00 H new ATOM 0 HA ARG A 86 21.415 -4.448 13.677 1.00 75.00 H new ATOM 0 HB2 ARG A 86 20.586 -1.822 12.367 1.00 75.00 H new ATOM 0 HB3 ARG A 86 21.722 -1.942 13.696 1.00 75.00 H new ATOM 0 HG2 ARG A 86 23.206 -3.389 12.246 1.00 75.00 H new ATOM 0 HG3 ARG A 86 22.090 -3.155 10.915 1.00 75.00 H new ATOM 0 HD2 ARG A 86 22.512 -0.719 10.931 1.00 75.00 H new ATOM 0 HD3 ARG A 86 23.526 -0.871 12.352 1.00 75.00 H new ATOM 0 HE ARG A 86 24.302 -2.340 9.865 1.00 75.00 H new ATOM 0 HH11 ARG A 86 24.986 0.234 12.235 1.00 75.00 H new ATOM 0 HH12 ARG A 86 26.628 0.494 11.636 1.00 75.00 H new ATOM 0 HH21 ARG A 86 26.394 -1.959 9.109 1.00 75.00 H new ATOM 0 HH22 ARG A 86 27.418 -0.742 9.877 1.00 75.00 H new ATOM 1403 N GLU A 87 19.522 -4.494 15.350 1.00 75.00 N ATOM 1404 CA GLU A 87 18.600 -4.456 16.505 1.00 75.00 C ATOM 1405 C GLU A 87 19.300 -3.858 17.739 1.00 75.00 C ATOM 1406 O GLU A 87 20.482 -4.133 17.978 1.00 75.00 O ATOM 1407 CB GLU A 87 18.115 -5.893 16.830 1.00 75.00 C ATOM 1408 CG GLU A 87 17.419 -6.619 15.660 1.00 75.00 C ATOM 1409 CD GLU A 87 17.084 -8.082 15.990 1.00 75.00 C ATOM 1410 OE1 GLU A 87 17.973 -8.954 15.829 1.00 75.00 O ATOM 1411 OE2 GLU A 87 15.950 -8.361 16.446 1.00 75.00 O ATOM 0 H GLU A 87 20.072 -5.352 15.303 1.00 75.00 H new ATOM 0 HA GLU A 87 17.747 -3.828 16.249 1.00 75.00 H new ATOM 0 HB2 GLU A 87 18.971 -6.487 17.150 1.00 75.00 H new ATOM 0 HB3 GLU A 87 17.425 -5.847 17.673 1.00 75.00 H new ATOM 0 HG2 GLU A 87 16.502 -6.089 15.402 1.00 75.00 H new ATOM 0 HG3 GLU A 87 18.064 -6.587 14.782 1.00 75.00 H new ATOM 1418 N ALA A 88 18.557 -3.051 18.517 1.00 75.00 N ATOM 1419 CA ALA A 88 19.046 -2.456 19.773 1.00 75.00 C ATOM 1420 C ALA A 88 18.358 -3.148 20.979 1.00 75.00 C ATOM 1421 O ALA A 88 17.173 -2.898 21.225 1.00 75.00 O ATOM 1422 CB ALA A 88 18.789 -0.933 19.772 1.00 75.00 C ATOM 0 H ALA A 88 17.597 -2.792 18.291 1.00 75.00 H new ATOM 0 HA ALA A 88 20.121 -2.611 19.859 1.00 75.00 H new ATOM 0 HB1 ALA A 88 19.154 -0.502 20.704 1.00 75.00 H new ATOM 0 HB2 ALA A 88 19.312 -0.476 18.932 1.00 75.00 H new ATOM 0 HB3 ALA A 88 17.719 -0.745 19.679 1.00 75.00 H new ATOM 1428 N PRO A 89 19.064 -4.089 21.700 1.00 75.00 N ATOM 1429 CA PRO A 89 18.533 -4.741 22.934 1.00 75.00 C ATOM 1430 C PRO A 89 18.115 -3.711 24.029 1.00 75.00 C ATOM 1431 O PRO A 89 16.900 -3.550 24.293 1.00 75.00 O ATOM 1432 CB PRO A 89 19.721 -5.637 23.402 1.00 75.00 C ATOM 1433 CG PRO A 89 20.511 -5.906 22.154 1.00 75.00 C ATOM 1434 CD PRO A 89 20.417 -4.629 21.350 1.00 75.00 C ATOM 1435 OXT PRO A 89 19.006 -3.035 24.589 1.00 75.00 O ATOM 0 HA PRO A 89 17.619 -5.303 22.745 1.00 75.00 H new ATOM 0 HB2 PRO A 89 20.327 -5.130 24.153 1.00 75.00 H new ATOM 0 HB3 PRO A 89 19.365 -6.563 23.852 1.00 75.00 H new ATOM 0 HG2 PRO A 89 21.547 -6.150 22.388 1.00 75.00 H new ATOM 0 HG3 PRO A 89 20.101 -6.752 21.602 1.00 75.00 H new ATOM 0 HD2 PRO A 89 21.209 -3.929 21.616 1.00 75.00 H new ATOM 0 HD3 PRO A 89 20.507 -4.821 20.281 1.00 75.00 H new TER 1443 PRO A 89