USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 165:sc= 2.22 (180deg=0.879) USER MOD Set 1.2: A 88 THR OG1 : rot -101:sc= 2.17 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 1.04 K(o=2.4,f=-6.5!) USER MOD Set 2.2: B 208 THR OG1 : rot 106:sc= 1.32 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0.041 USER MOD Set 3.2: B 209 SER OG : rot -29:sc= 0.0431 USER MOD Single : A 8 MET CE :methyl 171:sc= -0.0621 (180deg=-0.289) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 33:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 43 TYR OH : rot 0:sc= 0.0158 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0379) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.759 K(o=0.76,f=-8.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -160:sc= -0.171 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.506) USER MOD Single : A 80 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 84 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.18) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-0.98) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.13) USER MOD Single : A 100 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -14.691 -8.121 1.313 1.00 0.00 N ATOM 2 CA MET A 8 -13.494 -8.521 0.640 1.00 0.00 C ATOM 3 C MET A 8 -13.551 -9.977 0.325 1.00 0.00 C ATOM 4 O MET A 8 -13.765 -10.811 1.203 1.00 0.00 O ATOM 5 CB MET A 8 -12.249 -8.163 1.469 1.00 0.00 C ATOM 6 CG MET A 8 -10.909 -8.431 0.783 1.00 0.00 C ATOM 7 SD MET A 8 -10.695 -7.640 -0.839 1.00 0.00 S ATOM 8 CE MET A 8 -10.665 -5.924 -0.247 1.00 0.00 C ATOM 0 HA MET A 8 -13.417 -7.974 -0.300 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.299 -7.106 1.732 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.280 -8.725 2.402 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.109 -8.094 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.790 -9.508 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.381 -5.262 -1.065 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.654 -5.647 0.117 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.941 -5.831 0.563 1.00 0.00 H new ATOM 18 N LYS A 9 -13.384 -10.350 -0.957 1.00 0.00 N ATOM 19 CA LYS A 9 -13.507 -11.699 -1.415 1.00 0.00 C ATOM 20 C LYS A 9 -12.186 -12.214 -1.874 1.00 0.00 C ATOM 21 O LYS A 9 -11.302 -11.408 -2.162 1.00 0.00 O ATOM 22 CB LYS A 9 -14.544 -11.820 -2.545 1.00 0.00 C ATOM 23 CG LYS A 9 -15.986 -11.611 -2.080 1.00 0.00 C ATOM 24 CD LYS A 9 -16.495 -10.167 -2.090 1.00 0.00 C ATOM 25 CE LYS A 9 -16.671 -9.600 -3.500 1.00 0.00 C ATOM 26 NZ LYS A 9 -17.005 -8.160 -3.431 1.00 0.00 N ATOM 0 H LYS A 9 -13.156 -9.689 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.854 -12.302 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.312 -11.089 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.458 -12.806 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.641 -12.210 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.079 -12.001 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.449 -10.121 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.797 -9.539 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.755 -9.742 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.461 -10.140 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.122 -7.784 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.890 -8.034 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.237 -7.648 -2.951 1.00 0.00 H new ATOM 40 N PRO A 10 -11.949 -13.487 -1.989 1.00 0.00 N ATOM 41 CA PRO A 10 -10.709 -13.993 -2.501 1.00 0.00 C ATOM 42 C PRO A 10 -10.482 -13.673 -3.938 1.00 0.00 C ATOM 43 O PRO A 10 -11.380 -13.862 -4.757 1.00 0.00 O ATOM 44 CB PRO A 10 -10.778 -15.503 -2.286 1.00 0.00 C ATOM 45 CG PRO A 10 -11.731 -15.655 -1.089 1.00 0.00 C ATOM 46 CD PRO A 10 -12.747 -14.538 -1.376 1.00 0.00 C ATOM 0 HA PRO A 10 -9.870 -13.527 -1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.158 -16.017 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.795 -15.923 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.199 -16.639 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.221 -15.513 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.538 -14.880 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.229 -14.192 -0.462 1.00 0.00 H new ATOM 54 N GLY A 11 -9.282 -13.182 -4.295 1.00 0.00 N ATOM 55 CA GLY A 11 -8.898 -12.932 -5.649 1.00 0.00 C ATOM 56 C GLY A 11 -8.520 -11.514 -5.911 1.00 0.00 C ATOM 57 O GLY A 11 -7.682 -11.247 -6.769 1.00 0.00 O ATOM 0 H GLY A 11 -8.555 -12.951 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.057 -13.576 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.721 -13.207 -6.308 1.00 0.00 H new ATOM 61 N ASP A 12 -9.135 -10.547 -5.209 1.00 0.00 N ATOM 62 CA ASP A 12 -9.012 -9.156 -5.521 1.00 0.00 C ATOM 63 C ASP A 12 -7.716 -8.516 -5.159 1.00 0.00 C ATOM 64 O ASP A 12 -7.209 -8.629 -4.044 1.00 0.00 O ATOM 65 CB ASP A 12 -10.173 -8.383 -4.874 1.00 0.00 C ATOM 66 CG ASP A 12 -11.419 -8.472 -5.745 1.00 0.00 C ATOM 67 OD1 ASP A 12 -11.446 -7.807 -6.815 1.00 0.00 O ATOM 68 OD2 ASP A 12 -12.403 -9.155 -5.353 1.00 0.00 O ATOM 0 H ASP A 12 -9.733 -10.735 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.047 -9.107 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.383 -8.790 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.891 -7.339 -4.736 1.00 0.00 H new ATOM 73 N THR A 13 -7.145 -7.767 -6.118 1.00 0.00 N ATOM 74 CA THR A 13 -6.197 -6.720 -5.889 1.00 0.00 C ATOM 75 C THR A 13 -6.913 -5.425 -6.061 1.00 0.00 C ATOM 76 O THR A 13 -7.793 -5.279 -6.908 1.00 0.00 O ATOM 77 CB THR A 13 -4.999 -6.695 -6.791 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.298 -7.106 -8.118 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.935 -7.658 -6.238 1.00 0.00 C ATOM 0 H THR A 13 -7.356 -7.899 -7.107 1.00 0.00 H new ATOM 0 HA THR A 13 -5.804 -6.896 -4.888 1.00 0.00 H new ATOM 0 HB THR A 13 -4.648 -5.664 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.484 -7.070 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.060 -7.646 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.646 -7.344 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.344 -8.668 -6.198 1.00 0.00 H new ATOM 87 N PHE A 14 -6.555 -4.416 -5.247 1.00 0.00 N ATOM 88 CA PHE A 14 -7.110 -3.099 -5.311 1.00 0.00 C ATOM 89 C PHE A 14 -5.990 -2.128 -5.459 1.00 0.00 C ATOM 90 O PHE A 14 -5.072 -2.067 -4.643 1.00 0.00 O ATOM 91 CB PHE A 14 -8.123 -2.685 -4.231 1.00 0.00 C ATOM 92 CG PHE A 14 -7.914 -3.076 -2.809 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.669 -4.373 -2.421 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.147 -2.142 -1.827 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.552 -4.719 -1.096 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.042 -2.477 -0.498 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.730 -3.762 -0.123 1.00 0.00 C ATOM 0 H PHE A 14 -5.852 -4.521 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.760 -3.100 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.196 -1.598 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.094 -3.077 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.566 -5.138 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.416 -1.133 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.321 -5.737 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.206 -1.724 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.626 -4.017 0.921 1.00 0.00 H new ATOM 107 N GLU A 15 -6.018 -1.351 -6.557 1.00 0.00 N ATOM 108 CA GLU A 15 -5.040 -0.360 -6.883 1.00 0.00 C ATOM 109 C GLU A 15 -5.588 0.967 -6.484 1.00 0.00 C ATOM 110 O GLU A 15 -6.054 1.763 -7.297 1.00 0.00 O ATOM 111 CB GLU A 15 -4.643 -0.431 -8.366 1.00 0.00 C ATOM 112 CG GLU A 15 -4.301 -1.847 -8.836 1.00 0.00 C ATOM 113 CD GLU A 15 -3.881 -1.944 -10.295 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.763 -1.507 -10.676 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.667 -2.532 -11.087 1.00 0.00 O ATOM 0 H GLU A 15 -6.761 -1.418 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.114 -0.537 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.461 -0.042 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.784 0.218 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.497 -2.239 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.168 -2.488 -8.677 1.00 0.00 H new ATOM 122 N VAL A 16 -5.593 1.230 -5.164 1.00 0.00 N ATOM 123 CA VAL A 16 -6.114 2.392 -4.514 1.00 0.00 C ATOM 124 C VAL A 16 -5.197 3.542 -4.749 1.00 0.00 C ATOM 125 O VAL A 16 -3.997 3.326 -4.916 1.00 0.00 O ATOM 126 CB VAL A 16 -6.196 2.102 -3.043 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.673 3.309 -2.216 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.147 0.919 -2.798 1.00 0.00 C ATOM 0 H VAL A 16 -5.197 0.570 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.100 2.641 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.185 1.861 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.711 3.035 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.980 4.139 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.667 3.609 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.203 0.713 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.140 1.167 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.773 0.038 -3.319 1.00 0.00 H new ATOM 138 N GLU A 17 -5.651 4.808 -4.777 1.00 0.00 N ATOM 139 CA GLU A 17 -4.780 5.941 -4.755 1.00 0.00 C ATOM 140 C GLU A 17 -5.174 6.902 -3.686 1.00 0.00 C ATOM 141 O GLU A 17 -6.335 7.269 -3.516 1.00 0.00 O ATOM 142 CB GLU A 17 -4.567 6.579 -6.139 1.00 0.00 C ATOM 143 CG GLU A 17 -5.674 7.389 -6.813 1.00 0.00 C ATOM 144 CD GLU A 17 -5.965 8.772 -6.248 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.052 9.640 -6.266 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.141 9.034 -5.878 1.00 0.00 O ATOM 0 H GLU A 17 -6.641 5.049 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.787 5.581 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.698 7.232 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.299 5.774 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.417 7.501 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.594 6.806 -6.770 1.00 0.00 H new ATOM 153 N LEU A 18 -4.176 7.274 -2.864 1.00 0.00 N ATOM 154 CA LEU A 18 -4.351 8.049 -1.674 1.00 0.00 C ATOM 155 C LEU A 18 -3.456 9.238 -1.732 1.00 0.00 C ATOM 156 O LEU A 18 -2.294 9.154 -2.123 1.00 0.00 O ATOM 157 CB LEU A 18 -3.914 7.261 -0.428 1.00 0.00 C ATOM 158 CG LEU A 18 -4.682 5.943 -0.232 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.052 5.169 0.937 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.191 6.185 -0.062 1.00 0.00 C ATOM 0 H LEU A 18 -3.203 7.023 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.406 8.317 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.848 7.043 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.052 7.887 0.454 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.595 5.328 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.589 4.232 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.007 4.956 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.112 5.769 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.700 5.231 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.362 6.815 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.582 6.681 -0.950 1.00 0.00 H new ATOM 172 N ALA A 19 -3.964 10.389 -1.254 1.00 0.00 N ATOM 173 CA ALA A 19 -3.146 11.535 -0.998 1.00 0.00 C ATOM 174 C ALA A 19 -2.841 11.558 0.460 1.00 0.00 C ATOM 175 O ALA A 19 -3.723 11.733 1.299 1.00 0.00 O ATOM 176 CB ALA A 19 -3.814 12.823 -1.507 1.00 0.00 C ATOM 0 H ALA A 19 -4.952 10.526 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.207 11.474 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.168 13.675 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.978 12.747 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.771 12.960 -1.003 1.00 0.00 H new ATOM 182 N LYS A 20 -1.570 11.323 0.830 1.00 0.00 N ATOM 183 CA LYS A 20 -1.121 11.259 2.186 1.00 0.00 C ATOM 184 C LYS A 20 -1.377 12.535 2.912 1.00 0.00 C ATOM 185 O LYS A 20 -0.942 13.599 2.474 1.00 0.00 O ATOM 186 CB LYS A 20 0.381 10.964 2.331 1.00 0.00 C ATOM 187 CG LYS A 20 1.008 10.038 1.287 1.00 0.00 C ATOM 188 CD LYS A 20 2.199 10.671 0.564 1.00 0.00 C ATOM 189 CE LYS A 20 3.432 10.813 1.459 1.00 0.00 C ATOM 190 NZ LYS A 20 4.572 11.349 0.683 1.00 0.00 N ATOM 0 H LYS A 20 -0.822 11.171 0.154 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.692 10.434 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.917 11.913 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.548 10.527 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.333 9.118 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.251 9.761 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.455 10.064 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.911 11.654 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.209 11.476 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.696 9.844 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.312 11.678 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.957 10.602 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.249 12.145 0.097 1.00 0.00 H new ATOM 204 N THR A 21 -2.097 12.497 4.048 1.00 0.00 N ATOM 205 CA THR A 21 -2.454 13.675 4.775 1.00 0.00 C ATOM 206 C THR A 21 -1.440 13.912 5.843 1.00 0.00 C ATOM 207 O THR A 21 -1.304 13.168 6.812 1.00 0.00 O ATOM 208 CB THR A 21 -3.886 13.707 5.220 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.210 14.831 6.024 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.288 12.443 6.000 1.00 0.00 C ATOM 0 H THR A 21 -2.437 11.632 4.469 1.00 0.00 H new ATOM 0 HA THR A 21 -2.420 14.533 4.103 1.00 0.00 H new ATOM 0 HB THR A 21 -4.445 13.768 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.156 14.790 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.334 12.517 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.153 11.566 5.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.663 12.349 6.888 1.00 0.00 H new ATOM 218 N ASP A 22 -0.621 14.959 5.637 1.00 0.00 N ATOM 219 CA ASP A 22 0.443 15.395 6.487 1.00 0.00 C ATOM 220 C ASP A 22 1.517 14.386 6.707 1.00 0.00 C ATOM 221 O ASP A 22 2.120 14.312 7.776 1.00 0.00 O ATOM 222 CB ASP A 22 -0.057 16.000 7.810 1.00 0.00 C ATOM 223 CG ASP A 22 -1.175 17.010 7.593 1.00 0.00 C ATOM 224 OD1 ASP A 22 -1.077 17.854 6.664 1.00 0.00 O ATOM 225 OD2 ASP A 22 -2.172 16.959 8.361 1.00 0.00 O ATOM 0 H ASP A 22 -0.712 15.547 4.808 1.00 0.00 H new ATOM 0 HA ASP A 22 0.918 16.198 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.412 15.202 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.774 16.484 8.323 1.00 0.00 H new ATOM 230 N GLY A 23 1.827 13.569 5.685 1.00 0.00 N ATOM 231 CA GLY A 23 2.862 12.583 5.746 1.00 0.00 C ATOM 232 C GLY A 23 2.477 11.331 6.455 1.00 0.00 C ATOM 233 O GLY A 23 3.086 10.966 7.460 1.00 0.00 O ATOM 0 H GLY A 23 1.343 13.595 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.168 12.332 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.730 13.015 6.243 1.00 0.00 H new ATOM 237 N SER A 24 1.448 10.627 5.949 1.00 0.00 N ATOM 238 CA SER A 24 0.849 9.457 6.513 1.00 0.00 C ATOM 239 C SER A 24 -0.354 9.182 5.679 1.00 0.00 C ATOM 240 O SER A 24 -1.285 9.979 5.583 1.00 0.00 O ATOM 241 CB SER A 24 0.349 9.555 7.964 1.00 0.00 C ATOM 242 OG SER A 24 1.430 9.413 8.874 1.00 0.00 O ATOM 0 H SER A 24 1.000 10.900 5.074 1.00 0.00 H new ATOM 0 HA SER A 24 1.629 8.696 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.143 10.515 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.396 8.781 8.151 1.00 0.00 H new ATOM 0 HG SER A 24 2.240 9.801 8.483 1.00 0.00 H new ATOM 248 N LEU A 25 -0.382 7.990 5.057 1.00 0.00 N ATOM 249 CA LEU A 25 -1.560 7.369 4.536 1.00 0.00 C ATOM 250 C LEU A 25 -2.415 6.966 5.688 1.00 0.00 C ATOM 251 O LEU A 25 -3.635 7.118 5.707 1.00 0.00 O ATOM 252 CB LEU A 25 -1.155 6.076 3.807 1.00 0.00 C ATOM 253 CG LEU A 25 -0.044 6.218 2.753 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.420 4.817 2.319 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.465 7.061 1.537 1.00 0.00 C ATOM 0 H LEU A 25 0.459 7.432 4.910 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.079 8.053 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.832 5.348 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.039 5.664 3.321 1.00 0.00 H new ATOM 0 HG LEU A 25 0.782 6.759 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.208 4.910 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.803 4.276 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.422 4.271 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.364 7.122 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.322 6.595 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.736 8.064 1.866 1.00 0.00 H new ATOM 267 N GLY A 26 -1.731 6.435 6.716 1.00 0.00 N ATOM 268 CA GLY A 26 -2.271 6.151 8.010 1.00 0.00 C ATOM 269 C GLY A 26 -2.159 4.702 8.342 1.00 0.00 C ATOM 270 O GLY A 26 -2.927 4.192 9.156 1.00 0.00 O ATOM 0 H GLY A 26 -0.744 6.190 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.745 6.739 8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.318 6.453 8.043 1.00 0.00 H new ATOM 274 N ILE A 27 -1.224 3.969 7.712 1.00 0.00 N ATOM 275 CA ILE A 27 -1.086 2.572 7.980 1.00 0.00 C ATOM 276 C ILE A 27 0.190 2.283 8.692 1.00 0.00 C ATOM 277 O ILE A 27 1.265 2.734 8.299 1.00 0.00 O ATOM 278 CB ILE A 27 -1.298 1.728 6.758 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.364 2.121 5.600 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.785 1.867 6.392 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.378 1.126 4.441 1.00 0.00 C ATOM 0 H ILE A 27 -0.569 4.339 7.023 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.889 2.286 8.660 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.047 0.687 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.653 3.104 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.654 2.211 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.999 1.271 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.398 1.516 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.014 2.913 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.303 1.466 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.060 0.147 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.387 1.054 4.036 1.00 0.00 H new ATOM 293 N SER A 28 0.088 1.522 9.796 1.00 0.00 N ATOM 294 CA SER A 28 1.200 0.921 10.463 1.00 0.00 C ATOM 295 C SER A 28 1.628 -0.318 9.755 1.00 0.00 C ATOM 296 O SER A 28 0.913 -1.320 9.732 1.00 0.00 O ATOM 297 CB SER A 28 0.975 0.473 11.918 1.00 0.00 C ATOM 298 OG SER A 28 0.572 1.567 12.727 1.00 0.00 O ATOM 0 H SER A 28 -0.806 1.317 10.242 1.00 0.00 H new ATOM 0 HA SER A 28 1.932 1.728 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.215 -0.307 11.949 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.893 0.040 12.316 1.00 0.00 H new ATOM 0 HG SER A 28 0.433 1.260 13.647 1.00 0.00 H new ATOM 304 N VAL A 29 2.830 -0.295 9.153 1.00 0.00 N ATOM 305 CA VAL A 29 3.300 -1.381 8.349 1.00 0.00 C ATOM 306 C VAL A 29 3.946 -2.495 9.101 1.00 0.00 C ATOM 307 O VAL A 29 4.814 -2.304 9.951 1.00 0.00 O ATOM 308 CB VAL A 29 4.174 -0.855 7.249 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.311 0.053 6.358 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.382 -0.086 7.810 1.00 0.00 C ATOM 0 H VAL A 29 3.483 0.485 9.224 1.00 0.00 H new ATOM 0 HA VAL A 29 2.414 -1.849 7.920 1.00 0.00 H new ATOM 0 HB VAL A 29 4.576 -1.685 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.920 0.452 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.485 -0.524 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.915 0.876 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.994 0.281 6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.032 0.757 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.977 -0.750 8.436 1.00 0.00 H new ATOM 320 N THR A 30 3.548 -3.750 8.828 1.00 0.00 N ATOM 321 CA THR A 30 4.099 -4.942 9.395 1.00 0.00 C ATOM 322 C THR A 30 4.582 -5.841 8.310 1.00 0.00 C ATOM 323 O THR A 30 4.308 -5.643 7.127 1.00 0.00 O ATOM 324 CB THR A 30 3.178 -5.649 10.345 1.00 0.00 C ATOM 325 OG1 THR A 30 3.772 -6.727 11.053 1.00 0.00 O ATOM 326 CG2 THR A 30 1.920 -6.198 9.652 1.00 0.00 C ATOM 0 H THR A 30 2.794 -3.944 8.170 1.00 0.00 H new ATOM 0 HA THR A 30 4.945 -4.639 10.011 1.00 0.00 H new ATOM 0 HB THR A 30 2.918 -4.865 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.108 -7.132 11.650 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.290 -6.700 10.386 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.366 -5.376 9.199 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.211 -6.908 8.878 1.00 0.00 H new ATOM 334 N GLY A 31 5.368 -6.867 8.681 1.00 0.00 N ATOM 335 CA GLY A 31 6.028 -7.758 7.777 1.00 0.00 C ATOM 336 C GLY A 31 7.290 -7.211 7.206 1.00 0.00 C ATOM 337 O GLY A 31 7.984 -6.407 7.827 1.00 0.00 O ATOM 0 H GLY A 31 5.553 -7.086 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.250 -8.690 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.348 -8.003 6.961 1.00 0.00 H new ATOM 341 N GLY A 32 7.632 -7.648 5.980 1.00 0.00 N ATOM 342 CA GLY A 32 8.823 -7.290 5.273 1.00 0.00 C ATOM 343 C GLY A 32 9.712 -8.474 5.113 1.00 0.00 C ATOM 344 O GLY A 32 9.540 -9.481 5.797 1.00 0.00 O ATOM 0 H GLY A 32 7.041 -8.290 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.564 -6.888 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.350 -6.503 5.812 1.00 0.00 H new ATOM 348 N VAL A 33 10.732 -8.403 4.239 1.00 0.00 N ATOM 349 CA VAL A 33 11.668 -9.463 4.022 1.00 0.00 C ATOM 350 C VAL A 33 12.565 -9.776 5.170 1.00 0.00 C ATOM 351 O VAL A 33 13.314 -10.751 5.137 1.00 0.00 O ATOM 352 CB VAL A 33 12.526 -9.280 2.805 1.00 0.00 C ATOM 353 CG1 VAL A 33 11.633 -9.330 1.553 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.385 -8.005 2.847 1.00 0.00 C ATOM 0 H VAL A 33 10.912 -7.580 3.664 1.00 0.00 H new ATOM 0 HA VAL A 33 10.995 -10.308 3.878 1.00 0.00 H new ATOM 0 HB VAL A 33 13.246 -10.098 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.247 -9.198 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.127 -10.294 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.891 -8.533 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.980 -7.937 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.737 -7.132 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.048 -8.041 3.711 1.00 0.00 H new ATOM 364 N ASN A 34 12.536 -8.981 6.255 1.00 0.00 N ATOM 365 CA ASN A 34 13.223 -9.311 7.466 1.00 0.00 C ATOM 366 C ASN A 34 12.570 -10.423 8.212 1.00 0.00 C ATOM 367 O ASN A 34 13.254 -11.287 8.758 1.00 0.00 O ATOM 368 CB ASN A 34 13.398 -8.057 8.340 1.00 0.00 C ATOM 369 CG ASN A 34 14.239 -8.271 9.589 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.079 -9.166 9.681 1.00 0.00 O ATOM 371 ND2 ASN A 34 14.030 -7.394 10.608 1.00 0.00 N ATOM 0 H ASN A 34 12.029 -8.097 6.293 1.00 0.00 H new ATOM 0 HA ASN A 34 14.212 -9.679 7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.856 -7.272 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.413 -7.697 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.574 -7.472 11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.329 -6.659 10.513 1.00 0.00 H new ATOM 378 N THR A 35 11.228 -10.475 8.281 1.00 0.00 N ATOM 379 CA THR A 35 10.522 -11.481 9.013 1.00 0.00 C ATOM 380 C THR A 35 9.821 -12.417 8.088 1.00 0.00 C ATOM 381 O THR A 35 9.831 -12.266 6.866 1.00 0.00 O ATOM 382 CB THR A 35 9.581 -10.938 10.047 1.00 0.00 C ATOM 383 OG1 THR A 35 8.743 -9.909 9.541 1.00 0.00 O ATOM 384 CG2 THR A 35 10.404 -10.320 11.190 1.00 0.00 C ATOM 0 H THR A 35 10.618 -9.802 7.817 1.00 0.00 H new ATOM 0 HA THR A 35 11.281 -12.031 9.569 1.00 0.00 H new ATOM 0 HB THR A 35 8.958 -11.770 10.376 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.149 -9.591 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.731 -9.921 11.949 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.040 -11.085 11.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.025 -9.515 10.797 1.00 0.00 H new ATOM 392 N SER A 36 9.209 -13.490 8.617 1.00 0.00 N ATOM 393 CA SER A 36 8.578 -14.503 7.828 1.00 0.00 C ATOM 394 C SER A 36 7.214 -14.115 7.371 1.00 0.00 C ATOM 395 O SER A 36 6.211 -14.365 8.039 1.00 0.00 O ATOM 396 CB SER A 36 8.458 -15.851 8.559 1.00 0.00 C ATOM 397 OG SER A 36 9.732 -16.318 8.978 1.00 0.00 O ATOM 0 H SER A 36 9.151 -13.659 9.621 1.00 0.00 H new ATOM 0 HA SER A 36 9.238 -14.613 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.804 -15.743 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.996 -16.586 7.900 1.00 0.00 H new ATOM 0 HG SER A 36 9.630 -17.175 9.442 1.00 0.00 H new ATOM 403 N VAL A 37 7.125 -13.485 6.186 1.00 0.00 N ATOM 404 CA VAL A 37 5.909 -13.162 5.508 1.00 0.00 C ATOM 405 C VAL A 37 5.579 -14.233 4.525 1.00 0.00 C ATOM 406 O VAL A 37 6.137 -15.328 4.572 1.00 0.00 O ATOM 407 CB VAL A 37 6.018 -11.814 4.858 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.103 -10.744 5.960 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.233 -11.698 3.923 1.00 0.00 C ATOM 0 H VAL A 37 7.952 -13.184 5.671 1.00 0.00 H new ATOM 0 HA VAL A 37 5.092 -13.108 6.227 1.00 0.00 H new ATOM 0 HB VAL A 37 5.133 -11.668 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.183 -9.757 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.206 -10.786 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.980 -10.929 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.259 -10.701 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.147 -11.867 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.155 -12.443 3.131 1.00 0.00 H new ATOM 419 N ARG A 38 4.657 -13.994 3.577 1.00 0.00 N ATOM 420 CA ARG A 38 4.383 -14.919 2.522 1.00 0.00 C ATOM 421 C ARG A 38 5.504 -14.919 1.540 1.00 0.00 C ATOM 422 O ARG A 38 6.285 -15.865 1.465 1.00 0.00 O ATOM 423 CB ARG A 38 3.038 -14.612 1.841 1.00 0.00 C ATOM 424 CG ARG A 38 2.587 -15.654 0.815 1.00 0.00 C ATOM 425 CD ARG A 38 2.090 -16.962 1.435 1.00 0.00 C ATOM 426 NE ARG A 38 1.871 -17.944 0.336 1.00 0.00 N ATOM 427 CZ ARG A 38 0.852 -17.886 -0.572 1.00 0.00 C ATOM 428 NH1 ARG A 38 -0.190 -17.008 -0.488 1.00 0.00 N ATOM 429 NH2 ARG A 38 0.884 -18.749 -1.629 1.00 0.00 N ATOM 0 H ARG A 38 4.092 -13.145 3.542 1.00 0.00 H new ATOM 0 HA ARG A 38 4.301 -15.918 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.270 -14.522 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.109 -13.643 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.791 -15.227 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.419 -15.874 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.819 -17.346 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.164 -16.794 1.985 1.00 0.00 H new ATOM 0 HE ARG A 38 2.531 -18.717 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.237 -16.345 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.921 -17.015 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.654 -19.412 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.138 -18.731 -2.325 1.00 0.00 H new ATOM 443 N HIS A 39 5.666 -13.822 0.778 1.00 0.00 N ATOM 444 CA HIS A 39 6.884 -13.576 0.070 1.00 0.00 C ATOM 445 C HIS A 39 6.985 -12.122 -0.242 1.00 0.00 C ATOM 446 O HIS A 39 6.108 -11.567 -0.903 1.00 0.00 O ATOM 447 CB HIS A 39 7.025 -14.404 -1.218 1.00 0.00 C ATOM 448 CG HIS A 39 8.298 -15.196 -1.254 1.00 0.00 C ATOM 449 ND1 HIS A 39 9.508 -14.539 -1.172 1.00 0.00 N ATOM 450 CD2 HIS A 39 8.491 -16.540 -1.329 1.00 0.00 C ATOM 451 CE1 HIS A 39 10.423 -15.490 -1.201 1.00 0.00 C ATOM 452 NE2 HIS A 39 9.859 -16.724 -1.299 1.00 0.00 N ATOM 0 H HIS A 39 4.952 -13.104 0.652 1.00 0.00 H new ATOM 0 HA HIS A 39 7.700 -13.889 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.176 -15.082 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.991 -13.738 -2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.732 -17.305 -1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.487 -15.311 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.353 -17.615 -1.342 1.00 0.00 H new ATOM 460 N GLY A 40 8.039 -11.452 0.257 1.00 0.00 N ATOM 461 CA GLY A 40 8.501 -10.152 -0.116 1.00 0.00 C ATOM 462 C GLY A 40 7.509 -9.046 -0.242 1.00 0.00 C ATOM 463 O GLY A 40 6.973 -8.774 -1.315 1.00 0.00 O ATOM 0 H GLY A 40 8.620 -11.861 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.247 -9.844 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.014 -10.246 -1.073 1.00 0.00 H new ATOM 467 N GLY A 41 7.221 -8.337 0.863 1.00 0.00 N ATOM 468 CA GLY A 41 6.449 -7.137 0.778 1.00 0.00 C ATOM 469 C GLY A 41 5.927 -6.739 2.116 1.00 0.00 C ATOM 470 O GLY A 41 6.306 -7.334 3.123 1.00 0.00 O ATOM 0 H GLY A 41 7.518 -8.590 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.063 -6.334 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.617 -7.284 0.089 1.00 0.00 H new ATOM 474 N ILE A 42 5.046 -5.723 2.168 1.00 0.00 N ATOM 475 CA ILE A 42 4.613 -5.163 3.410 1.00 0.00 C ATOM 476 C ILE A 42 3.155 -5.414 3.586 1.00 0.00 C ATOM 477 O ILE A 42 2.452 -5.823 2.663 1.00 0.00 O ATOM 478 CB ILE A 42 5.111 -3.759 3.589 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.584 -3.486 5.025 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.139 -2.643 3.171 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.884 -4.200 5.397 1.00 0.00 C ATOM 0 H ILE A 42 4.632 -5.288 1.344 1.00 0.00 H new ATOM 0 HA ILE A 42 5.075 -5.668 4.258 1.00 0.00 H new ATOM 0 HB ILE A 42 5.950 -3.718 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.721 -2.412 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.801 -3.793 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.604 -1.672 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.899 -2.747 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.225 -2.718 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.151 -3.957 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.747 -5.277 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.681 -3.876 4.728 1.00 0.00 H new ATOM 493 N TYR A 43 2.628 -5.303 4.819 1.00 0.00 N ATOM 494 CA TYR A 43 1.298 -5.722 5.136 1.00 0.00 C ATOM 495 C TYR A 43 0.786 -4.715 6.109 1.00 0.00 C ATOM 496 O TYR A 43 1.568 -4.092 6.826 1.00 0.00 O ATOM 497 CB TYR A 43 1.290 -7.081 5.856 1.00 0.00 C ATOM 498 CG TYR A 43 1.785 -8.209 5.018 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.123 -8.363 4.744 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.894 -9.136 4.530 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.555 -9.361 3.903 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.327 -10.188 3.757 1.00 0.00 C ATOM 503 CZ TYR A 43 2.657 -10.283 3.419 1.00 0.00 C ATOM 504 OH TYR A 43 3.103 -11.291 2.538 1.00 0.00 O ATOM 0 H TYR A 43 3.137 -4.914 5.613 1.00 0.00 H new ATOM 0 HA TYR A 43 0.708 -5.808 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.905 -7.010 6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.274 -7.302 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.842 -7.694 5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.157 -9.037 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.596 -9.421 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.626 -10.936 3.417 1.00 0.00 H new ATOM 0 HH TYR A 43 4.064 -11.186 2.380 1.00 0.00 H new ATOM 514 N VAL A 44 -0.537 -4.498 6.211 1.00 0.00 N ATOM 515 CA VAL A 44 -1.054 -3.545 7.143 1.00 0.00 C ATOM 516 C VAL A 44 -1.346 -4.162 8.468 1.00 0.00 C ATOM 517 O VAL A 44 -2.060 -5.157 8.583 1.00 0.00 O ATOM 518 CB VAL A 44 -2.300 -2.888 6.627 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.579 -1.665 7.514 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.108 -2.465 5.161 1.00 0.00 C ATOM 0 H VAL A 44 -1.244 -4.978 5.653 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.275 -2.793 7.268 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.143 -3.578 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.481 -1.162 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.718 -1.988 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.736 -0.977 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.019 -1.989 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.278 -1.762 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.891 -3.344 4.554 1.00 0.00 H new ATOM 530 N LYS A 45 -0.803 -3.582 9.553 1.00 0.00 N ATOM 531 CA LYS A 45 -1.060 -4.023 10.889 1.00 0.00 C ATOM 532 C LYS A 45 -2.233 -3.313 11.474 1.00 0.00 C ATOM 533 O LYS A 45 -3.123 -3.929 12.057 1.00 0.00 O ATOM 534 CB LYS A 45 0.177 -3.791 11.773 1.00 0.00 C ATOM 535 CG LYS A 45 0.367 -4.810 12.899 1.00 0.00 C ATOM 536 CD LYS A 45 -0.449 -4.544 14.166 1.00 0.00 C ATOM 537 CE LYS A 45 -0.313 -5.635 15.230 1.00 0.00 C ATOM 538 NZ LYS A 45 1.078 -5.695 15.734 1.00 0.00 N ATOM 0 H LYS A 45 -0.168 -2.785 9.500 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.285 -5.089 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.064 -3.801 11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.110 -2.795 12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.107 -5.798 12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.423 -4.839 13.166 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.137 -3.591 14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.500 -4.443 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.997 -5.435 16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.596 -6.600 14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.135 -6.381 16.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.713 -5.991 14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.364 -4.756 16.077 1.00 0.00 H new ATOM 552 N ALA A 46 -2.271 -1.973 11.359 1.00 0.00 N ATOM 553 CA ALA A 46 -3.260 -1.183 12.022 1.00 0.00 C ATOM 554 C ALA A 46 -3.690 -0.015 11.203 1.00 0.00 C ATOM 555 O ALA A 46 -2.879 0.759 10.694 1.00 0.00 O ATOM 556 CB ALA A 46 -2.740 -0.747 13.403 1.00 0.00 C ATOM 0 H ALA A 46 -1.609 -1.433 10.801 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.148 -1.799 12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.498 -0.145 13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.521 -1.629 14.005 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.831 -0.157 13.280 1.00 0.00 H new ATOM 562 N ILE A 47 -5.018 0.123 11.044 1.00 0.00 N ATOM 563 CA ILE A 47 -5.701 1.165 10.343 1.00 0.00 C ATOM 564 C ILE A 47 -6.056 2.249 11.302 1.00 0.00 C ATOM 565 O ILE A 47 -6.554 1.995 12.396 1.00 0.00 O ATOM 566 CB ILE A 47 -6.933 0.636 9.670 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.609 -0.538 8.730 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.728 1.698 8.893 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.555 -0.218 7.672 1.00 0.00 C ATOM 0 H ILE A 47 -5.669 -0.555 11.441 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.045 1.565 9.570 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.564 0.292 10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.264 -1.383 9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.525 -0.853 8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.603 1.236 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.048 2.485 9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.097 2.128 8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.384 -1.097 7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.904 0.605 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.623 0.067 8.161 1.00 0.00 H new ATOM 581 N ILE A 48 -5.810 3.519 10.929 1.00 0.00 N ATOM 582 CA ILE A 48 -6.172 4.682 11.679 1.00 0.00 C ATOM 583 C ILE A 48 -7.632 4.941 11.540 1.00 0.00 C ATOM 584 O ILE A 48 -8.152 4.746 10.443 1.00 0.00 O ATOM 585 CB ILE A 48 -5.401 5.869 11.181 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.969 5.804 11.738 1.00 0.00 C ATOM 587 CG2 ILE A 48 -6.025 7.237 11.506 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.100 6.919 11.159 1.00 0.00 C ATOM 0 H ILE A 48 -5.333 3.745 10.057 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.936 4.514 12.730 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.415 5.802 10.093 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.995 5.886 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.528 4.836 11.502 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.394 8.030 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.016 7.300 11.058 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.108 7.352 12.587 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.094 6.847 11.571 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.056 6.820 10.074 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.530 7.887 11.418 1.00 0.00 H new ATOM 600 N PRO A 49 -8.343 5.403 12.525 1.00 0.00 N ATOM 601 CA PRO A 49 -9.628 6.017 12.351 1.00 0.00 C ATOM 602 C PRO A 49 -9.632 7.242 11.505 1.00 0.00 C ATOM 603 O PRO A 49 -9.488 8.351 12.018 1.00 0.00 O ATOM 604 CB PRO A 49 -10.099 6.311 13.773 1.00 0.00 C ATOM 605 CG PRO A 49 -9.447 5.184 14.590 1.00 0.00 C ATOM 606 CD PRO A 49 -8.066 5.099 13.920 1.00 0.00 C ATOM 0 HA PRO A 49 -10.292 5.350 11.801 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.774 7.295 14.111 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.186 6.290 13.851 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.377 5.430 15.650 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.000 4.248 14.516 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.365 5.812 14.354 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.625 4.109 14.035 1.00 0.00 H new ATOM 614 N LYS A 50 -9.796 7.076 10.180 1.00 0.00 N ATOM 615 CA LYS A 50 -10.018 8.124 9.233 1.00 0.00 C ATOM 616 C LYS A 50 -8.886 9.071 9.028 1.00 0.00 C ATOM 617 O LYS A 50 -9.001 10.275 9.251 1.00 0.00 O ATOM 618 CB LYS A 50 -11.342 8.867 9.483 1.00 0.00 C ATOM 619 CG LYS A 50 -12.563 7.947 9.467 1.00 0.00 C ATOM 620 CD LYS A 50 -13.803 8.567 10.115 1.00 0.00 C ATOM 621 CE LYS A 50 -14.922 7.536 10.267 1.00 0.00 C ATOM 622 NZ LYS A 50 -16.009 8.012 11.152 1.00 0.00 N ATOM 0 H LYS A 50 -9.772 6.154 9.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.093 7.592 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.290 9.374 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.467 9.639 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.796 7.683 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.317 7.020 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.542 8.971 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.154 9.402 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.333 7.302 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.508 6.611 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.744 7.280 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.625 8.211 12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.423 8.880 10.757 1.00 0.00 H new ATOM 636 N GLY A 51 -7.740 8.575 8.529 1.00 0.00 N ATOM 637 CA GLY A 51 -6.766 9.391 7.872 1.00 0.00 C ATOM 638 C GLY A 51 -7.063 9.368 6.411 1.00 0.00 C ATOM 639 O GLY A 51 -8.157 9.728 5.980 1.00 0.00 O ATOM 0 H GLY A 51 -7.485 7.589 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.803 10.411 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.761 9.015 8.063 1.00 0.00 H new ATOM 643 N ALA A 52 -6.102 8.906 5.592 1.00 0.00 N ATOM 644 CA ALA A 52 -6.300 8.739 4.186 1.00 0.00 C ATOM 645 C ALA A 52 -6.694 7.347 3.832 1.00 0.00 C ATOM 646 O ALA A 52 -7.609 7.127 3.040 1.00 0.00 O ATOM 647 CB ALA A 52 -5.017 9.136 3.437 1.00 0.00 C ATOM 0 H ALA A 52 -5.170 8.643 5.912 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.122 9.389 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.167 9.009 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.780 10.179 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.193 8.502 3.765 1.00 0.00 H new ATOM 653 N ALA A 53 -6.022 6.335 4.409 1.00 0.00 N ATOM 654 CA ALA A 53 -6.153 4.959 4.041 1.00 0.00 C ATOM 655 C ALA A 53 -7.438 4.296 4.400 1.00 0.00 C ATOM 656 O ALA A 53 -7.994 3.576 3.572 1.00 0.00 O ATOM 657 CB ALA A 53 -4.942 4.166 4.562 1.00 0.00 C ATOM 0 H ALA A 53 -5.356 6.483 5.167 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.174 4.957 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.045 3.118 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.028 4.571 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.894 4.247 5.648 1.00 0.00 H new ATOM 663 N GLU A 54 -8.034 4.511 5.587 1.00 0.00 N ATOM 664 CA GLU A 54 -9.359 4.040 5.843 1.00 0.00 C ATOM 665 C GLU A 54 -10.336 4.672 4.912 1.00 0.00 C ATOM 666 O GLU A 54 -11.337 4.091 4.493 1.00 0.00 O ATOM 667 CB GLU A 54 -9.863 4.276 7.276 1.00 0.00 C ATOM 668 CG GLU A 54 -11.232 3.637 7.519 1.00 0.00 C ATOM 669 CD GLU A 54 -11.775 3.694 8.939 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.165 4.354 9.822 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.831 3.053 9.184 1.00 0.00 O ATOM 0 H GLU A 54 -7.601 5.008 6.365 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.292 2.963 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.142 3.868 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.925 5.348 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.954 4.120 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.176 2.591 7.219 1.00 0.00 H new ATOM 678 N SER A 55 -10.043 5.921 4.511 1.00 0.00 N ATOM 679 CA SER A 55 -10.881 6.679 3.634 1.00 0.00 C ATOM 680 C SER A 55 -10.834 6.301 2.193 1.00 0.00 C ATOM 681 O SER A 55 -11.504 6.919 1.368 1.00 0.00 O ATOM 682 CB SER A 55 -10.588 8.182 3.774 1.00 0.00 C ATOM 683 OG SER A 55 -11.762 8.977 3.677 1.00 0.00 O ATOM 0 H SER A 55 -9.202 6.418 4.804 1.00 0.00 H new ATOM 0 HA SER A 55 -11.892 6.436 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.106 8.367 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.883 8.485 3.000 1.00 0.00 H new ATOM 0 HG SER A 55 -11.525 9.923 3.773 1.00 0.00 H new ATOM 689 N ASP A 56 -10.128 5.227 1.796 1.00 0.00 N ATOM 690 CA ASP A 56 -10.508 4.456 0.653 1.00 0.00 C ATOM 691 C ASP A 56 -11.723 3.696 1.059 1.00 0.00 C ATOM 692 O ASP A 56 -12.852 4.167 0.920 1.00 0.00 O ATOM 693 CB ASP A 56 -9.364 3.535 0.196 1.00 0.00 C ATOM 694 CG ASP A 56 -9.838 2.633 -0.934 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.177 3.163 -2.026 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.985 1.406 -0.688 1.00 0.00 O ATOM 0 H ASP A 56 -9.289 4.891 2.270 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.723 5.089 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.516 4.133 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.017 2.930 1.034 1.00 0.00 H new ATOM 701 N GLY A 57 -11.542 2.500 1.647 1.00 0.00 N ATOM 702 CA GLY A 57 -12.618 1.888 2.363 1.00 0.00 C ATOM 703 C GLY A 57 -12.523 0.401 2.343 1.00 0.00 C ATOM 704 O GLY A 57 -12.997 -0.261 3.265 1.00 0.00 O ATOM 0 H GLY A 57 -10.673 1.967 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.613 2.238 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.567 2.197 1.926 1.00 0.00 H new ATOM 708 N ARG A 58 -11.906 -0.161 1.288 1.00 0.00 N ATOM 709 CA ARG A 58 -11.769 -1.577 1.141 1.00 0.00 C ATOM 710 C ARG A 58 -10.656 -2.126 1.965 1.00 0.00 C ATOM 711 O ARG A 58 -10.621 -3.322 2.252 1.00 0.00 O ATOM 712 CB ARG A 58 -11.629 -1.972 -0.339 1.00 0.00 C ATOM 713 CG ARG A 58 -12.886 -1.609 -1.132 1.00 0.00 C ATOM 714 CD ARG A 58 -13.111 -2.413 -2.414 1.00 0.00 C ATOM 715 NE ARG A 58 -12.142 -1.978 -3.459 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.100 -2.524 -4.709 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.970 -3.501 -5.098 1.00 0.00 N ATOM 718 NH2 ARG A 58 -11.194 -2.078 -5.628 1.00 0.00 N ATOM 0 H ARG A 58 -11.495 0.377 0.524 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.686 -2.028 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.765 -1.468 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.445 -3.044 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.753 -1.740 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.838 -0.551 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.989 -3.477 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.132 -2.270 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.479 -1.238 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.677 -3.843 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.913 -3.889 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.543 -1.332 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.168 -2.491 -6.560 1.00 0.00 H new ATOM 732 N ILE A 59 -9.742 -1.246 2.413 1.00 0.00 N ATOM 733 CA ILE A 59 -8.640 -1.513 3.284 1.00 0.00 C ATOM 734 C ILE A 59 -9.098 -1.897 4.649 1.00 0.00 C ATOM 735 O ILE A 59 -9.955 -1.254 5.255 1.00 0.00 O ATOM 736 CB ILE A 59 -7.765 -0.297 3.357 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.185 0.029 1.970 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.632 -0.509 4.376 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.404 1.338 1.868 1.00 0.00 C ATOM 0 H ILE A 59 -9.779 -0.264 2.141 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.077 -2.354 2.880 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.372 0.546 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.529 -0.788 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.005 0.060 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.007 0.383 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.059 -0.697 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.026 -1.363 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.041 1.467 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.056 2.172 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.557 1.311 2.554 1.00 0.00 H new ATOM 751 N HIS A 60 -8.510 -2.966 5.213 1.00 0.00 N ATOM 752 CA HIS A 60 -8.688 -3.323 6.587 1.00 0.00 C ATOM 753 C HIS A 60 -7.380 -3.780 7.137 1.00 0.00 C ATOM 754 O HIS A 60 -6.349 -3.755 6.469 1.00 0.00 O ATOM 755 CB HIS A 60 -9.823 -4.345 6.768 1.00 0.00 C ATOM 756 CG HIS A 60 -9.573 -5.646 6.065 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.106 -6.742 6.762 1.00 0.00 N ATOM 758 CD2 HIS A 60 -9.533 -5.874 4.725 1.00 0.00 C ATOM 759 CE1 HIS A 60 -8.758 -7.610 5.829 1.00 0.00 C ATOM 760 NE2 HIS A 60 -8.978 -7.129 4.577 1.00 0.00 N ATOM 0 H HIS A 60 -7.895 -3.599 4.702 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.007 -2.452 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.963 -4.537 7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.753 -3.913 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.866 -5.211 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.347 -8.587 6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.773 -7.604 3.698 1.00 0.00 H new ATOM 768 N LYS A 61 -7.316 -4.188 8.417 1.00 0.00 N ATOM 769 CA LYS A 61 -6.085 -4.537 9.056 1.00 0.00 C ATOM 770 C LYS A 61 -5.691 -5.957 8.838 1.00 0.00 C ATOM 771 O LYS A 61 -5.497 -6.748 9.760 1.00 0.00 O ATOM 772 CB LYS A 61 -6.062 -4.112 10.534 1.00 0.00 C ATOM 773 CG LYS A 61 -7.308 -4.369 11.382 1.00 0.00 C ATOM 774 CD LYS A 61 -7.244 -3.600 12.704 1.00 0.00 C ATOM 775 CE LYS A 61 -8.543 -3.687 13.508 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.519 -2.750 14.655 1.00 0.00 N ATOM 0 H LYS A 61 -8.134 -4.277 9.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.305 -3.956 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.224 -4.619 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.851 -3.043 10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.197 -4.070 10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.401 -5.436 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.423 -3.990 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.019 -2.553 12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.391 -3.457 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.685 -4.706 13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.410 -2.827 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.723 -2.987 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.407 -1.777 14.306 1.00 0.00 H new ATOM 790 N GLY A 62 -5.499 -6.322 7.558 1.00 0.00 N ATOM 791 CA GLY A 62 -5.041 -7.619 7.166 1.00 0.00 C ATOM 792 C GLY A 62 -4.496 -7.697 5.781 1.00 0.00 C ATOM 793 O GLY A 62 -3.971 -8.739 5.389 1.00 0.00 O ATOM 0 H GLY A 62 -5.668 -5.695 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.269 -7.943 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.868 -8.324 7.256 1.00 0.00 H new ATOM 797 N ASP A 63 -4.610 -6.631 4.970 1.00 0.00 N ATOM 798 CA ASP A 63 -4.261 -6.673 3.584 1.00 0.00 C ATOM 799 C ASP A 63 -2.798 -6.647 3.304 1.00 0.00 C ATOM 800 O ASP A 63 -1.969 -6.169 4.077 1.00 0.00 O ATOM 801 CB ASP A 63 -4.963 -5.546 2.805 1.00 0.00 C ATOM 802 CG ASP A 63 -6.470 -5.681 2.970 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.023 -6.757 2.619 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.079 -4.701 3.478 1.00 0.00 O ATOM 0 H ASP A 63 -4.951 -5.722 5.283 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.613 -7.646 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.631 -4.574 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.695 -5.597 1.750 1.00 0.00 H new ATOM 809 N ARG A 64 -2.431 -7.213 2.140 1.00 0.00 N ATOM 810 CA ARG A 64 -1.092 -7.437 1.690 1.00 0.00 C ATOM 811 C ARG A 64 -0.746 -6.400 0.679 1.00 0.00 C ATOM 812 O ARG A 64 -1.217 -6.447 -0.457 1.00 0.00 O ATOM 813 CB ARG A 64 -1.047 -8.858 1.105 1.00 0.00 C ATOM 814 CG ARG A 64 0.300 -9.390 0.614 1.00 0.00 C ATOM 815 CD ARG A 64 0.605 -9.187 -0.872 1.00 0.00 C ATOM 816 NE ARG A 64 1.939 -9.810 -1.099 1.00 0.00 N ATOM 817 CZ ARG A 64 2.203 -10.810 -1.989 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.310 -11.208 -2.943 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.416 -11.437 -1.956 1.00 0.00 N ATOM 0 H ARG A 64 -3.123 -7.538 1.464 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.362 -7.360 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.420 -9.544 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.746 -8.898 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.089 -8.912 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.347 -10.457 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.157 -9.655 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.619 -8.127 -1.128 1.00 0.00 H new ATOM 0 HE ARG A 64 2.719 -9.460 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.400 -10.752 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.553 -11.961 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.116 -11.157 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.621 -12.186 -2.618 1.00 0.00 H new ATOM 833 N VAL A 65 0.086 -5.398 1.017 1.00 0.00 N ATOM 834 CA VAL A 65 0.463 -4.353 0.116 1.00 0.00 C ATOM 835 C VAL A 65 1.696 -4.764 -0.613 1.00 0.00 C ATOM 836 O VAL A 65 2.771 -4.982 -0.055 1.00 0.00 O ATOM 837 CB VAL A 65 0.466 -2.980 0.720 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.880 -2.998 2.200 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.300 -1.978 -0.098 1.00 0.00 C ATOM 0 H VAL A 65 0.508 -5.312 1.942 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.318 -4.227 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.565 -2.628 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.867 -1.982 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.182 -3.615 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.885 -3.410 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.269 -1.000 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.333 -2.323 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.890 -1.900 -1.105 1.00 0.00 H new ATOM 849 N LEU A 66 1.550 -4.974 -1.933 1.00 0.00 N ATOM 850 CA LEU A 66 2.562 -5.491 -2.801 1.00 0.00 C ATOM 851 C LEU A 66 3.285 -4.434 -3.563 1.00 0.00 C ATOM 852 O LEU A 66 4.452 -4.631 -3.896 1.00 0.00 O ATOM 853 CB LEU A 66 2.040 -6.559 -3.778 1.00 0.00 C ATOM 854 CG LEU A 66 0.803 -6.215 -4.624 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.868 -6.949 -5.974 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.491 -6.627 -3.902 1.00 0.00 C ATOM 0 H LEU A 66 0.678 -4.772 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 66 3.270 -5.966 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.851 -6.814 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.813 -7.457 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 66 0.797 -5.137 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.012 -6.699 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.766 -6.644 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.897 -8.025 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.351 -6.372 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.480 -7.702 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.561 -6.099 -2.951 1.00 0.00 H new ATOM 868 N ALA A 67 2.661 -3.285 -3.875 1.00 0.00 N ATOM 869 CA ALA A 67 3.365 -2.287 -4.618 1.00 0.00 C ATOM 870 C ALA A 67 2.892 -0.905 -4.319 1.00 0.00 C ATOM 871 O ALA A 67 1.761 -0.702 -3.881 1.00 0.00 O ATOM 872 CB ALA A 67 3.280 -2.559 -6.130 1.00 0.00 C ATOM 0 H ALA A 67 1.701 -3.050 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 67 4.406 -2.350 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.824 -1.784 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.720 -3.532 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.236 -2.554 -6.442 1.00 0.00 H new ATOM 878 N VAL A 68 3.758 0.103 -4.529 1.00 0.00 N ATOM 879 CA VAL A 68 3.449 1.470 -4.244 1.00 0.00 C ATOM 880 C VAL A 68 3.832 2.357 -5.380 1.00 0.00 C ATOM 881 O VAL A 68 5.008 2.401 -5.737 1.00 0.00 O ATOM 882 CB VAL A 68 4.135 1.974 -3.011 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.540 3.340 -2.626 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.938 0.986 -1.848 1.00 0.00 C ATOM 0 H VAL A 68 4.696 -0.036 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 68 2.371 1.499 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 68 5.202 2.074 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.035 3.713 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.690 4.046 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.473 3.231 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.442 1.365 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.874 0.874 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.359 0.018 -2.118 1.00 0.00 H new ATOM 894 N ASN A 69 2.900 3.085 -6.019 1.00 0.00 N ATOM 895 CA ASN A 69 3.109 3.771 -7.255 1.00 0.00 C ATOM 896 C ASN A 69 3.585 2.895 -8.362 1.00 0.00 C ATOM 897 O ASN A 69 4.357 3.294 -9.232 1.00 0.00 O ATOM 898 CB ASN A 69 4.001 5.017 -7.119 1.00 0.00 C ATOM 899 CG ASN A 69 3.345 6.024 -6.186 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.136 6.003 -5.962 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.155 6.963 -5.629 1.00 0.00 N ATOM 0 H ASN A 69 1.954 3.201 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 69 2.112 4.113 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.980 4.734 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.163 5.467 -8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.763 7.672 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.155 6.959 -5.831 1.00 0.00 H new ATOM 908 N GLY A 70 3.158 1.619 -8.352 1.00 0.00 N ATOM 909 CA GLY A 70 3.614 0.613 -9.259 1.00 0.00 C ATOM 910 C GLY A 70 4.971 0.079 -8.951 1.00 0.00 C ATOM 911 O GLY A 70 5.548 -0.652 -9.755 1.00 0.00 O ATOM 0 H GLY A 70 2.467 1.275 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.902 -0.212 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.619 1.025 -10.268 1.00 0.00 H new ATOM 915 N VAL A 71 5.537 0.421 -7.779 1.00 0.00 N ATOM 916 CA VAL A 71 6.844 0.012 -7.368 1.00 0.00 C ATOM 917 C VAL A 71 6.675 -1.131 -6.426 1.00 0.00 C ATOM 918 O VAL A 71 6.301 -0.968 -5.266 1.00 0.00 O ATOM 919 CB VAL A 71 7.689 1.070 -6.723 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.114 0.538 -6.503 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.739 2.305 -7.637 1.00 0.00 C ATOM 0 H VAL A 71 5.064 1.006 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 71 7.388 -0.251 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 71 7.256 1.341 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.723 1.311 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.079 -0.338 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.552 0.263 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.352 3.077 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.171 2.029 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.729 2.686 -7.789 1.00 0.00 H new ATOM 931 N SER A 72 6.906 -2.354 -6.935 1.00 0.00 N ATOM 932 CA SER A 72 6.810 -3.583 -6.209 1.00 0.00 C ATOM 933 C SER A 72 7.729 -3.695 -5.041 1.00 0.00 C ATOM 934 O SER A 72 8.905 -3.340 -5.079 1.00 0.00 O ATOM 935 CB SER A 72 6.968 -4.827 -7.098 1.00 0.00 C ATOM 936 OG SER A 72 8.241 -4.895 -7.723 1.00 0.00 O ATOM 0 H SER A 72 7.175 -2.493 -7.909 1.00 0.00 H new ATOM 0 HA SER A 72 5.793 -3.550 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.816 -5.722 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.192 -4.823 -7.863 1.00 0.00 H new ATOM 0 HG SER A 72 8.292 -5.703 -8.275 1.00 0.00 H new ATOM 942 N LEU A 73 7.209 -4.234 -3.924 1.00 0.00 N ATOM 943 CA LEU A 73 7.920 -4.405 -2.695 1.00 0.00 C ATOM 944 C LEU A 73 8.634 -5.712 -2.636 1.00 0.00 C ATOM 945 O LEU A 73 8.839 -6.285 -1.567 1.00 0.00 O ATOM 946 CB LEU A 73 6.951 -4.300 -1.506 1.00 0.00 C ATOM 947 CG LEU A 73 6.198 -2.963 -1.394 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.419 -2.903 -0.069 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.125 -1.739 -1.485 1.00 0.00 C ATOM 0 H LEU A 73 6.246 -4.567 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 73 8.666 -3.612 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.220 -5.106 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.511 -4.462 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 73 5.516 -2.923 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.890 -1.952 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.700 -3.722 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.114 -2.992 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.534 -0.827 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.855 -1.775 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.644 -1.746 -2.444 1.00 0.00 H new ATOM 961 N GLU A 74 9.085 -6.205 -3.803 1.00 0.00 N ATOM 962 CA GLU A 74 9.756 -7.450 -4.014 1.00 0.00 C ATOM 963 C GLU A 74 11.157 -7.392 -3.510 1.00 0.00 C ATOM 964 O GLU A 74 12.118 -7.214 -4.258 1.00 0.00 O ATOM 965 CB GLU A 74 9.712 -7.772 -5.518 1.00 0.00 C ATOM 966 CG GLU A 74 10.059 -9.208 -5.915 1.00 0.00 C ATOM 967 CD GLU A 74 8.912 -10.173 -5.649 1.00 0.00 C ATOM 968 OE1 GLU A 74 8.620 -10.472 -4.460 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.275 -10.637 -6.632 1.00 0.00 O ATOM 0 H GLU A 74 8.969 -5.686 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 74 9.255 -8.242 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.711 -7.548 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.399 -7.100 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.318 -9.238 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.940 -9.533 -5.362 1.00 0.00 H new ATOM 976 N GLY A 75 11.313 -7.468 -2.177 1.00 0.00 N ATOM 977 CA GLY A 75 12.543 -7.249 -1.480 1.00 0.00 C ATOM 978 C GLY A 75 12.498 -6.143 -0.483 1.00 0.00 C ATOM 979 O GLY A 75 13.542 -5.710 0.001 1.00 0.00 O ATOM 0 H GLY A 75 10.540 -7.694 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.826 -8.170 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.325 -7.034 -2.208 1.00 0.00 H new ATOM 983 N ALA A 76 11.316 -5.621 -0.110 1.00 0.00 N ATOM 984 CA ALA A 76 11.206 -4.596 0.882 1.00 0.00 C ATOM 985 C ALA A 76 11.033 -5.146 2.257 1.00 0.00 C ATOM 986 O ALA A 76 10.328 -6.124 2.499 1.00 0.00 O ATOM 987 CB ALA A 76 10.105 -3.578 0.543 1.00 0.00 C ATOM 0 H ALA A 76 10.422 -5.915 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 76 12.157 -4.063 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.058 -2.819 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.330 -3.103 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.145 -4.089 0.476 1.00 0.00 H new ATOM 993 N THR A 77 11.713 -4.532 3.242 1.00 0.00 N ATOM 994 CA THR A 77 11.681 -4.833 4.639 1.00 0.00 C ATOM 995 C THR A 77 11.021 -3.668 5.294 1.00 0.00 C ATOM 996 O THR A 77 10.421 -2.846 4.603 1.00 0.00 O ATOM 997 CB THR A 77 13.047 -5.126 5.185 1.00 0.00 C ATOM 998 OG1 THR A 77 13.088 -5.355 6.586 1.00 0.00 O ATOM 999 CG2 THR A 77 14.089 -4.050 4.833 1.00 0.00 C ATOM 0 H THR A 77 12.342 -3.755 3.039 1.00 0.00 H new ATOM 0 HA THR A 77 11.119 -5.746 4.838 1.00 0.00 H new ATOM 0 HB THR A 77 13.307 -6.059 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.003 -5.223 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.054 -4.325 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.180 -3.972 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.773 -3.090 5.241 1.00 0.00 H new ATOM 1007 N HIS A 78 11.098 -3.502 6.626 1.00 0.00 N ATOM 1008 CA HIS A 78 10.540 -2.423 7.380 1.00 0.00 C ATOM 1009 C HIS A 78 10.953 -1.078 6.893 1.00 0.00 C ATOM 1010 O HIS A 78 10.103 -0.260 6.540 1.00 0.00 O ATOM 1011 CB HIS A 78 10.884 -2.522 8.876 1.00 0.00 C ATOM 1012 CG HIS A 78 10.510 -1.330 9.706 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.427 -0.644 10.458 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.325 -0.679 9.855 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.830 0.378 11.044 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.558 0.380 10.693 1.00 0.00 N ATOM 0 H HIS A 78 11.587 -4.173 7.219 1.00 0.00 H new ATOM 0 HA HIS A 78 9.464 -2.525 7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.386 -3.400 9.288 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.957 -2.689 8.974 1.00 0.00 H new ATOM 0 HD1 HIS A 78 12.414 -0.884 10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.382 -0.945 9.400 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.304 1.093 11.701 1.00 0.00 H new ATOM 1025 N LYS A 79 12.266 -0.785 6.840 1.00 0.00 N ATOM 1026 CA LYS A 79 12.742 0.520 6.502 1.00 0.00 C ATOM 1027 C LYS A 79 12.498 0.849 5.070 1.00 0.00 C ATOM 1028 O LYS A 79 11.946 1.893 4.728 1.00 0.00 O ATOM 1029 CB LYS A 79 14.235 0.660 6.845 1.00 0.00 C ATOM 1030 CG LYS A 79 14.821 2.042 6.551 1.00 0.00 C ATOM 1031 CD LYS A 79 16.226 2.195 7.139 1.00 0.00 C ATOM 1032 CE LYS A 79 16.973 3.462 6.717 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.222 4.680 7.097 1.00 0.00 N ATOM 0 H LYS A 79 13.005 -1.461 7.034 1.00 0.00 H new ATOM 0 HA LYS A 79 12.178 1.236 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.375 0.436 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.796 -0.087 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.858 2.200 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.167 2.810 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.151 2.181 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.820 1.328 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.958 3.479 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.132 3.451 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.869 5.494 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.468 4.854 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.801 4.549 8.039 1.00 0.00 H new ATOM 1047 N GLN A 80 12.837 -0.100 4.178 1.00 0.00 N ATOM 1048 CA GLN A 80 12.572 -0.064 2.774 1.00 0.00 C ATOM 1049 C GLN A 80 11.142 0.192 2.444 1.00 0.00 C ATOM 1050 O GLN A 80 10.832 1.079 1.651 1.00 0.00 O ATOM 1051 CB GLN A 80 13.056 -1.373 2.126 1.00 0.00 C ATOM 1052 CG GLN A 80 13.885 -1.222 0.850 1.00 0.00 C ATOM 1053 CD GLN A 80 13.156 -0.627 -0.346 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.337 0.539 -0.693 1.00 0.00 O ATOM 1055 NE2 GLN A 80 12.344 -1.459 -1.052 1.00 0.00 N ATOM 0 H GLN A 80 13.329 -0.948 4.458 1.00 0.00 H new ATOM 0 HA GLN A 80 13.125 0.782 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.649 -1.920 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.184 -1.987 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.750 -0.597 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.266 -2.204 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.209 -2.422 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.870 -1.120 -1.889 1.00 0.00 H new ATOM 1064 N ALA A 81 10.188 -0.526 3.063 1.00 0.00 N ATOM 1065 CA ALA A 81 8.790 -0.299 2.867 1.00 0.00 C ATOM 1066 C ALA A 81 8.312 1.043 3.304 1.00 0.00 C ATOM 1067 O ALA A 81 7.600 1.717 2.561 1.00 0.00 O ATOM 1068 CB ALA A 81 7.958 -1.362 3.605 1.00 0.00 C ATOM 0 H ALA A 81 10.393 -1.283 3.716 1.00 0.00 H new ATOM 0 HA ALA A 81 8.652 -0.359 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.897 -1.171 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.211 -2.351 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.176 -1.318 4.672 1.00 0.00 H new ATOM 1074 N VAL A 82 8.700 1.501 4.508 1.00 0.00 N ATOM 1075 CA VAL A 82 8.337 2.777 5.041 1.00 0.00 C ATOM 1076 C VAL A 82 8.738 3.896 4.144 1.00 0.00 C ATOM 1077 O VAL A 82 7.932 4.765 3.815 1.00 0.00 O ATOM 1078 CB VAL A 82 8.903 2.979 6.415 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.818 4.433 6.911 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.129 2.088 7.400 1.00 0.00 C ATOM 0 H VAL A 82 9.292 0.958 5.137 1.00 0.00 H new ATOM 0 HA VAL A 82 7.249 2.785 5.112 1.00 0.00 H new ATOM 0 HB VAL A 82 9.960 2.718 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.246 4.502 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.373 5.082 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.775 4.747 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.529 2.224 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.075 2.364 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.234 1.044 7.106 1.00 0.00 H new ATOM 1090 N GLU A 83 9.990 3.911 3.651 1.00 0.00 N ATOM 1091 CA GLU A 83 10.468 4.912 2.749 1.00 0.00 C ATOM 1092 C GLU A 83 9.848 4.859 1.395 1.00 0.00 C ATOM 1093 O GLU A 83 9.669 5.882 0.735 1.00 0.00 O ATOM 1094 CB GLU A 83 12.002 4.857 2.668 1.00 0.00 C ATOM 1095 CG GLU A 83 12.646 5.157 4.023 1.00 0.00 C ATOM 1096 CD GLU A 83 14.165 5.248 3.968 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.752 5.132 2.859 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.790 5.484 5.036 1.00 0.00 O ATOM 0 H GLU A 83 10.689 3.207 3.887 1.00 0.00 H new ATOM 0 HA GLU A 83 10.160 5.873 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.314 3.870 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.354 5.577 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.247 6.097 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.362 4.379 4.731 1.00 0.00 H new ATOM 1105 N THR A 84 9.429 3.668 0.933 1.00 0.00 N ATOM 1106 CA THR A 84 8.723 3.443 -0.291 1.00 0.00 C ATOM 1107 C THR A 84 7.340 3.994 -0.280 1.00 0.00 C ATOM 1108 O THR A 84 6.816 4.384 -1.323 1.00 0.00 O ATOM 1109 CB THR A 84 8.743 1.988 -0.658 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.086 1.560 -0.831 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.070 1.608 -1.987 1.00 0.00 C ATOM 0 H THR A 84 9.595 2.804 1.449 1.00 0.00 H new ATOM 0 HA THR A 84 9.252 3.997 -1.066 1.00 0.00 H new ATOM 0 HB THR A 84 8.196 1.523 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.554 1.595 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.150 0.532 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.018 1.893 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.564 2.129 -2.807 1.00 0.00 H new ATOM 1119 N LEU A 85 6.711 4.126 0.901 1.00 0.00 N ATOM 1120 CA LEU A 85 5.449 4.770 1.099 1.00 0.00 C ATOM 1121 C LEU A 85 5.564 6.219 1.424 1.00 0.00 C ATOM 1122 O LEU A 85 4.896 7.057 0.820 1.00 0.00 O ATOM 1123 CB LEU A 85 4.742 4.059 2.265 1.00 0.00 C ATOM 1124 CG LEU A 85 4.387 2.596 1.950 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.403 1.710 3.206 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.015 2.474 1.265 1.00 0.00 C ATOM 0 H LEU A 85 7.106 3.762 1.768 1.00 0.00 H new ATOM 0 HA LEU A 85 4.892 4.703 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.384 4.090 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.831 4.602 2.516 1.00 0.00 H new ATOM 0 HG LEU A 85 5.159 2.245 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.146 0.687 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.398 1.728 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.676 2.086 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.803 1.425 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.244 2.879 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.025 3.032 0.329 1.00 0.00 H new ATOM 1138 N ARG A 86 6.425 6.598 2.384 1.00 0.00 N ATOM 1139 CA ARG A 86 6.523 7.925 2.910 1.00 0.00 C ATOM 1140 C ARG A 86 7.345 8.878 2.112 1.00 0.00 C ATOM 1141 O ARG A 86 6.975 10.047 2.015 1.00 0.00 O ATOM 1142 CB ARG A 86 6.799 7.891 4.422 1.00 0.00 C ATOM 1143 CG ARG A 86 7.704 8.959 5.038 1.00 0.00 C ATOM 1144 CD ARG A 86 9.177 8.569 4.903 1.00 0.00 C ATOM 1145 NE ARG A 86 10.025 9.763 5.184 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.697 9.999 6.347 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.528 9.253 7.478 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.590 11.030 6.404 1.00 0.00 N ATOM 0 H ARG A 86 7.084 5.949 2.814 1.00 0.00 H new ATOM 0 HA ARG A 86 5.542 8.384 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.837 7.941 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.233 6.919 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.530 9.916 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.453 9.091 6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.418 7.764 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.376 8.194 3.899 1.00 0.00 H new ATOM 0 HE ARG A 86 10.109 10.461 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.871 8.473 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.059 9.476 8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.748 11.614 5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.099 11.217 7.268 1.00 0.00 H new ATOM 1162 N ASN A 87 8.466 8.479 1.485 1.00 0.00 N ATOM 1163 CA ASN A 87 9.369 9.378 0.835 1.00 0.00 C ATOM 1164 C ASN A 87 9.011 9.617 -0.592 1.00 0.00 C ATOM 1165 O ASN A 87 9.833 9.913 -1.457 1.00 0.00 O ATOM 1166 CB ASN A 87 10.821 8.893 0.984 1.00 0.00 C ATOM 1167 CG ASN A 87 11.812 10.039 0.838 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.724 11.038 1.552 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.787 9.922 -0.102 1.00 0.00 N ATOM 0 H ASN A 87 8.753 7.502 1.428 1.00 0.00 H new ATOM 0 HA ASN A 87 9.280 10.342 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.950 8.422 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.030 8.132 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.467 10.672 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.839 9.084 -0.681 1.00 0.00 H new ATOM 1176 N THR A 88 7.698 9.514 -0.866 1.00 0.00 N ATOM 1177 CA THR A 88 7.005 9.762 -2.092 1.00 0.00 C ATOM 1178 C THR A 88 6.602 11.195 -2.167 1.00 0.00 C ATOM 1179 O THR A 88 7.018 12.011 -1.347 1.00 0.00 O ATOM 1180 CB THR A 88 5.798 8.874 -2.128 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.994 9.073 -0.974 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.267 7.411 -2.078 1.00 0.00 C ATOM 0 H THR A 88 7.047 9.221 -0.137 1.00 0.00 H new ATOM 0 HA THR A 88 7.649 9.549 -2.945 1.00 0.00 H new ATOM 0 HB THR A 88 5.232 9.102 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.160 8.352 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.401 6.750 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.906 7.204 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.827 7.240 -1.159 1.00 0.00 H new ATOM 1190 N GLY A 89 5.738 11.578 -3.125 1.00 0.00 N ATOM 1191 CA GLY A 89 5.223 12.909 -3.215 1.00 0.00 C ATOM 1192 C GLY A 89 3.866 13.013 -2.608 1.00 0.00 C ATOM 1193 O GLY A 89 3.720 12.910 -1.391 1.00 0.00 O ATOM 0 H GLY A 89 5.391 10.951 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.902 13.597 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.179 13.213 -4.261 1.00 0.00 H new ATOM 1197 N GLN A 90 2.824 13.225 -3.431 1.00 0.00 N ATOM 1198 CA GLN A 90 1.488 13.421 -2.958 1.00 0.00 C ATOM 1199 C GLN A 90 0.644 12.202 -3.107 1.00 0.00 C ATOM 1200 O GLN A 90 0.169 11.659 -2.111 1.00 0.00 O ATOM 1201 CB GLN A 90 0.837 14.653 -3.608 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.508 15.016 -2.973 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.903 16.457 -3.260 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.942 16.919 -4.399 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.208 17.229 -2.182 1.00 0.00 N ATOM 0 H GLN A 90 2.911 13.261 -4.447 1.00 0.00 H new ATOM 0 HA GLN A 90 1.558 13.614 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.514 15.503 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.692 14.464 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.280 14.346 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.453 14.863 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.171 16.832 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.474 18.205 -2.313 1.00 0.00 H new ATOM 1214 N VAL A 91 0.426 11.702 -4.336 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.334 10.511 -4.557 1.00 0.00 C ATOM 1216 C VAL A 91 0.512 9.305 -4.335 1.00 0.00 C ATOM 1217 O VAL A 91 1.571 9.116 -4.931 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.992 10.389 -5.899 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.659 9.017 -6.092 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.056 11.496 -6.001 1.00 0.00 C ATOM 0 H VAL A 91 0.783 12.131 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.144 10.582 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.234 10.490 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.123 8.973 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.907 8.232 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.421 8.872 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.554 11.434 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.791 11.369 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.578 12.470 -5.901 1.00 0.00 H new ATOM 1230 N VAL A 92 0.009 8.421 -3.454 1.00 0.00 N ATOM 1231 CA VAL A 92 0.458 7.075 -3.284 1.00 0.00 C ATOM 1232 C VAL A 92 -0.609 6.170 -3.796 1.00 0.00 C ATOM 1233 O VAL A 92 -1.694 6.049 -3.230 1.00 0.00 O ATOM 1234 CB VAL A 92 0.781 6.830 -1.840 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.783 5.330 -1.498 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.160 7.450 -1.562 1.00 0.00 C ATOM 0 H VAL A 92 -0.756 8.662 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 92 1.372 6.883 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 92 0.016 7.288 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.022 5.198 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.201 4.909 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.530 4.819 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.427 7.290 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.906 6.981 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.126 8.520 -1.768 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.336 5.477 -4.916 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.106 4.371 -5.392 1.00 0.00 C ATOM 1248 C HIS A 93 -0.718 3.154 -4.623 1.00 0.00 C ATOM 1249 O HIS A 93 0.409 2.675 -4.746 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.945 4.066 -6.890 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.415 5.148 -7.816 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.598 6.224 -8.098 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.611 5.288 -8.448 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.321 7.021 -8.862 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.552 6.498 -9.110 1.00 0.00 N ATOM 0 H HIS A 93 0.458 5.698 -5.517 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.150 4.649 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.107 3.868 -7.093 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.492 3.151 -7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.438 4.594 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.978 7.971 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.289 6.919 -9.676 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.625 2.614 -3.789 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.415 1.446 -2.993 1.00 0.00 C ATOM 1265 C LEU A 94 -1.927 0.257 -3.731 1.00 0.00 C ATOM 1266 O LEU A 94 -3.132 0.102 -3.923 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.170 1.529 -1.656 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.507 2.316 -0.512 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.020 1.796 0.842 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.022 2.151 -0.486 1.00 0.00 C ATOM 0 H LEU A 94 -2.555 3.015 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.346 1.366 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.146 1.974 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.347 0.512 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.758 3.363 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.548 2.356 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.101 1.924 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.775 0.739 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.436 2.728 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.272 1.098 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.443 2.510 -1.425 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.025 -0.650 -4.147 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.399 -1.914 -4.703 1.00 0.00 C ATOM 1284 C LEU A 95 -1.517 -2.902 -3.595 1.00 0.00 C ATOM 1285 O LEU A 95 -0.524 -3.403 -3.069 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.365 -2.366 -5.750 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.989 -2.999 -7.005 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.129 -3.602 -7.872 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.061 -4.057 -6.688 1.00 0.00 C ATOM 0 H LEU A 95 -0.017 -0.503 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.359 -1.831 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.236 -1.507 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.313 -3.085 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.506 -2.208 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.306 -4.053 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.826 -2.817 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.660 -4.364 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.459 -4.462 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.616 -4.862 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.868 -3.597 -6.118 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.775 -3.160 -3.195 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.189 -3.986 -2.104 1.00 0.00 C ATOM 1303 C LEU A 96 -3.773 -5.258 -2.615 1.00 0.00 C ATOM 1304 O LEU A 96 -4.451 -5.285 -3.640 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.277 -3.264 -1.292 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.767 -2.052 -0.493 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.737 -0.866 -0.622 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.546 -2.434 0.981 1.00 0.00 C ATOM 0 H LEU A 96 -3.573 -2.752 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.318 -4.194 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.062 -2.933 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.732 -3.975 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.808 -1.742 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.356 -0.021 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.828 -0.582 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.716 -1.153 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.185 -1.565 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.487 -2.773 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.809 -3.235 1.043 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.531 -6.376 -1.907 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.109 -7.659 -2.168 1.00 0.00 C ATOM 1322 C GLU A 97 -4.832 -8.146 -0.960 1.00 0.00 C ATOM 1323 O GLU A 97 -4.409 -7.932 0.175 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.006 -8.652 -2.574 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.460 -10.095 -2.799 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.388 -11.018 -3.358 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.214 -10.599 -3.546 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.741 -12.202 -3.610 1.00 0.00 O ATOM 0 H GLU A 97 -2.897 -6.385 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.823 -7.574 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.538 -8.291 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.238 -8.649 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.813 -10.502 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.310 -10.092 -3.481 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.964 -8.832 -1.198 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.907 -9.352 -0.258 1.00 0.00 C ATOM 1337 C LYS A 98 -6.424 -10.046 0.969 1.00 0.00 C ATOM 1338 O LYS A 98 -5.842 -11.130 0.948 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.992 -10.149 -1.001 1.00 0.00 C ATOM 1340 CG LYS A 98 -7.706 -11.599 -1.397 1.00 0.00 C ATOM 1341 CD LYS A 98 -6.369 -11.856 -2.097 1.00 0.00 C ATOM 1342 CE LYS A 98 -5.996 -13.339 -2.137 1.00 0.00 C ATOM 1343 NZ LYS A 98 -4.534 -13.569 -2.129 1.00 0.00 N ATOM 0 H LYS A 98 -6.246 -9.044 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.311 -8.451 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.886 -10.148 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.238 -9.602 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.746 -12.214 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.507 -11.940 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.417 -11.471 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.583 -11.302 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.442 -13.843 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.424 -13.792 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.335 -14.545 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.075 -12.906 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.164 -13.417 -1.169 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.669 -9.461 2.156 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.397 -10.084 3.414 1.00 0.00 C ATOM 1359 C GLY A 99 -7.536 -10.900 3.922 1.00 0.00 C ATOM 1360 O GLY A 99 -8.110 -10.594 4.965 1.00 0.00 O ATOM 0 H GLY A 99 -7.068 -8.526 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.518 -10.721 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.153 -9.316 4.148 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.897 -11.978 3.203 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.991 -12.839 3.530 1.00 0.00 C ATOM 1366 C GLN A 100 -8.671 -14.268 3.254 1.00 0.00 C ATOM 1367 O GLN A 100 -7.661 -14.602 2.637 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.274 -12.412 2.797 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.160 -11.479 3.624 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.748 -12.180 4.840 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -11.470 -11.844 5.991 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.598 -13.212 4.592 1.00 0.00 N ATOM 0 H GLN A 100 -7.404 -12.262 2.356 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.166 -12.744 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.004 -11.914 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.845 -13.301 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.576 -10.618 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.968 -11.098 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.815 -13.474 3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.019 -13.724 5.368 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.533 -15.184 3.730 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.347 -16.602 3.711 1.00 0.00 C ATOM 1383 C VAL A 101 -10.058 -17.208 2.550 1.00 0.00 C ATOM 1384 O VAL A 101 -11.239 -16.899 2.394 1.00 0.00 O ATOM 1385 CB VAL A 101 -9.835 -17.218 4.989 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -9.482 -18.713 5.050 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -9.198 -16.501 6.191 1.00 0.00 C ATOM 0 H VAL A 101 -10.420 -14.915 4.157 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.280 -16.801 3.613 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.919 -17.111 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.847 -19.135 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.948 -19.231 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.400 -18.834 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.556 -16.953 7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.113 -16.595 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.472 -15.446 6.173 1.00 0.00 H new ATOM 1397 N PRO A 102 -9.497 -18.024 1.708 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.218 -18.682 0.657 1.00 0.00 C ATOM 1399 C PRO A 102 -11.213 -19.715 1.058 1.00 0.00 C ATOM 1400 O PRO A 102 -12.031 -20.131 0.194 1.00 0.00 O ATOM 1401 CB PRO A 102 -9.137 -19.326 -0.209 1.00 0.00 C ATOM 1402 CG PRO A 102 -7.903 -18.436 0.011 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.059 -18.095 1.501 1.00 0.00 C ATOM 1404 OXT PRO A 102 -11.208 -20.194 2.224 1.00 0.00 O ATOM 0 HA PRO A 102 -10.836 -17.934 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.945 -20.356 0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.429 -19.351 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.971 -18.962 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.916 -17.548 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.604 -18.858 2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.575 -17.149 1.745 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.998 -1.112 13.635 1.00 0.00 N ATOM 1414 CA TYR B 205 11.815 -2.519 13.815 1.00 0.00 C ATOM 1415 C TYR B 205 10.605 -2.932 13.052 1.00 0.00 C ATOM 1416 O TYR B 205 10.676 -3.707 12.099 1.00 0.00 O ATOM 1417 CB TYR B 205 11.679 -2.907 15.298 1.00 0.00 C ATOM 1418 CG TYR B 205 12.901 -2.543 16.068 1.00 0.00 C ATOM 1419 CD1 TYR B 205 13.027 -1.280 16.597 1.00 0.00 C ATOM 1420 CD2 TYR B 205 13.904 -3.460 16.281 1.00 0.00 C ATOM 1421 CE1 TYR B 205 14.151 -0.926 17.304 1.00 0.00 C ATOM 1422 CE2 TYR B 205 15.025 -3.118 16.999 1.00 0.00 C ATOM 1423 CZ TYR B 205 15.154 -1.845 17.504 1.00 0.00 C ATOM 1424 OH TYR B 205 16.318 -1.457 18.201 1.00 0.00 O ATOM 0 HA TYR B 205 12.698 -3.038 13.443 1.00 0.00 H new ATOM 0 HB2 TYR B 205 10.812 -2.406 15.729 1.00 0.00 H new ATOM 0 HB3 TYR B 205 11.501 -3.979 15.381 1.00 0.00 H new ATOM 0 HD1 TYR B 205 12.235 -0.559 16.456 1.00 0.00 H new ATOM 0 HD2 TYR B 205 13.810 -4.458 15.880 1.00 0.00 H new ATOM 0 HE1 TYR B 205 14.246 0.073 17.702 1.00 0.00 H new ATOM 0 HE2 TYR B 205 15.803 -3.848 17.166 1.00 0.00 H new ATOM 0 HH TYR B 205 16.932 -2.218 18.261 1.00 0.00 H new ATOM 1434 N LEU B 206 9.432 -2.409 13.452 1.00 0.00 N ATOM 1435 CA LEU B 206 8.162 -2.722 12.874 1.00 0.00 C ATOM 1436 C LEU B 206 7.250 -1.579 13.157 1.00 0.00 C ATOM 1437 O LEU B 206 7.616 -0.678 13.910 1.00 0.00 O ATOM 1438 CB LEU B 206 7.575 -3.985 13.528 1.00 0.00 C ATOM 1439 CG LEU B 206 6.490 -4.736 12.737 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.137 -5.495 11.567 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.816 -5.734 13.695 1.00 0.00 C ATOM 0 H LEU B 206 9.366 -1.736 14.215 1.00 0.00 H new ATOM 0 HA LEU B 206 8.273 -2.896 11.804 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.393 -4.678 13.724 1.00 0.00 H new ATOM 0 HB3 LEU B 206 7.157 -3.704 14.495 1.00 0.00 H new ATOM 0 HG LEU B 206 5.755 -4.038 12.336 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.367 -6.026 11.008 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.641 -4.787 10.908 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.863 -6.210 11.954 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.040 -6.283 13.162 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.561 -6.434 14.074 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.369 -5.193 14.529 1.00 0.00 H new ATOM 1453 N VAL B 207 6.033 -1.598 12.584 1.00 0.00 N ATOM 1454 CA VAL B 207 4.913 -0.745 12.832 1.00 0.00 C ATOM 1455 C VAL B 207 5.178 0.715 12.964 1.00 0.00 C ATOM 1456 O VAL B 207 5.374 1.289 14.034 1.00 0.00 O ATOM 1457 CB VAL B 207 3.866 -1.256 13.778 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.066 -2.353 13.055 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.474 -1.770 15.093 1.00 0.00 C ATOM 0 H VAL B 207 5.813 -2.290 11.867 1.00 0.00 H new ATOM 0 HA VAL B 207 4.440 -0.822 11.853 1.00 0.00 H new ATOM 0 HB VAL B 207 3.203 -0.438 14.061 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.297 -2.742 13.722 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.596 -1.934 12.165 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.737 -3.161 12.765 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.678 -2.129 15.746 1.00 0.00 H new ATOM 0 HG22 VAL B 207 5.165 -2.586 14.880 1.00 0.00 H new ATOM 0 HG23 VAL B 207 5.010 -0.960 15.587 1.00 0.00 H new ATOM 1469 N THR B 208 5.151 1.355 11.781 1.00 0.00 N ATOM 1470 CA THR B 208 5.441 2.741 11.583 1.00 0.00 C ATOM 1471 C THR B 208 4.265 3.204 10.794 1.00 0.00 C ATOM 1472 O THR B 208 3.993 2.638 9.737 1.00 0.00 O ATOM 1473 CB THR B 208 6.686 2.964 10.777 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.825 2.450 11.452 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.947 4.455 10.505 1.00 0.00 C ATOM 0 H THR B 208 4.913 0.876 10.913 1.00 0.00 H new ATOM 0 HA THR B 208 5.606 3.260 12.527 1.00 0.00 H new ATOM 0 HB THR B 208 6.526 2.445 9.832 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.112 1.618 11.022 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.859 4.564 9.918 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.108 4.876 9.952 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.059 4.983 11.452 1.00 0.00 H new ATOM 1483 N SER B 209 3.516 4.189 11.320 1.00 0.00 N ATOM 1484 CA SER B 209 2.401 4.812 10.678 1.00 0.00 C ATOM 1485 C SER B 209 2.892 5.807 9.683 1.00 0.00 C ATOM 1486 O SER B 209 3.642 6.711 10.048 1.00 0.00 O ATOM 1487 CB SER B 209 1.483 5.566 11.655 1.00 0.00 C ATOM 1488 OG SER B 209 1.054 4.707 12.701 1.00 0.00 O ATOM 0 H SER B 209 3.700 4.572 12.247 1.00 0.00 H new ATOM 0 HA SER B 209 1.830 4.008 10.214 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.013 6.421 12.074 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.617 5.958 11.121 1.00 0.00 H new ATOM 0 HG SER B 209 1.023 3.784 12.374 1.00 0.00 H new ATOM 1494 N VAL B 210 2.517 5.658 8.400 1.00 0.00 N ATOM 1495 CA VAL B 210 3.024 6.408 7.292 1.00 0.00 C ATOM 1496 C VAL B 210 1.953 6.218 6.226 1.00 0.00 C ATOM 1497 O VAL B 210 0.895 5.586 6.490 1.00 0.00 O ATOM 1498 CB VAL B 210 4.364 5.993 6.762 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.448 6.847 7.442 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.648 4.494 6.954 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.147 6.731 5.093 1.00 0.00 O ATOM 0 H VAL B 210 1.817 4.972 8.119 1.00 0.00 H new ATOM 0 HA VAL B 210 3.206 7.437 7.602 1.00 0.00 H new ATOM 0 HB VAL B 210 4.369 6.160 5.685 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.429 6.556 7.066 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.273 7.900 7.222 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.411 6.690 8.520 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.632 4.256 6.550 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.623 4.252 8.017 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.890 3.910 6.431 1.00 0.00 H new TER 1511 VAL B 210