USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 82 THR OG1 : rot 65:sc= 0.479 USER MOD Set 1.2: A 86 MET CE :methyl 167:sc= -4.52! (180deg=-5.09!) USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -122:sc= 0.169 (180deg=-1.66) USER MOD Single : A 2 MET CE :methyl -157:sc= -5.13! (180deg=-7.99!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 38:sc= -2.93! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0552) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 117:sc=0.000381 USER MOD Single : A 26 HIS : no HE2:sc= -12.3! C(o=-12!,f=-17!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -2.15! (180deg=-2.37!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 32 MET CE :methyl -174:sc= 0 (180deg=-0.0606) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0.714 (180deg=0.571) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.024 (180deg=-0.21) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0.3 (180deg=0.249) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= -0.336 (180deg=-0.986) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 0.886 (180deg=-0.32) USER MOD Single : A 48 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.329) USER MOD Single : A 55 SER OG : rot 14:sc= 0.615 USER MOD Single : A 71 SER OG : rot -83:sc= -0.852 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 51:sc= -0.105 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 103:sc= 1.14 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= -0.124 (180deg=-0.362) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 109 SER OG : rot 140:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 6.128 -8.702 5.896 1.00 0.00 N ATOM 15 CA MET A 2 6.253 -8.827 4.446 1.00 0.00 C ATOM 16 C MET A 2 7.702 -9.076 4.028 1.00 0.00 C ATOM 17 O MET A 2 8.048 -8.922 2.856 1.00 0.00 O ATOM 18 CB MET A 2 5.735 -7.567 3.760 1.00 0.00 C ATOM 19 CG MET A 2 4.230 -7.544 3.555 1.00 0.00 C ATOM 20 SD MET A 2 3.575 -9.039 2.788 1.00 0.00 S ATOM 21 CE MET A 2 3.159 -10.002 4.239 1.00 0.00 C ATOM 0 HA MET A 2 5.654 -9.684 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.023 -6.699 4.353 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.224 -7.467 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.744 -7.399 4.520 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.970 -6.686 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.134 -11.060 3.979 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.908 -9.836 5.013 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.181 -9.697 4.610 1.00 0.00 H new ATOM 31 N THR A 3 8.546 -9.457 4.981 1.00 0.00 N ATOM 32 CA THR A 3 9.953 -9.711 4.694 1.00 0.00 C ATOM 33 C THR A 3 10.146 -11.036 3.961 1.00 0.00 C ATOM 34 O THR A 3 11.097 -11.200 3.199 1.00 0.00 O ATOM 35 CB THR A 3 10.794 -9.727 5.983 1.00 0.00 C ATOM 36 OG1 THR A 3 10.299 -10.726 6.880 1.00 0.00 O ATOM 37 CG2 THR A 3 10.765 -8.367 6.665 1.00 0.00 C ATOM 0 H THR A 3 8.281 -9.596 5.956 1.00 0.00 H new ATOM 0 HA THR A 3 10.291 -8.897 4.053 1.00 0.00 H new ATOM 0 HB THR A 3 11.824 -9.960 5.714 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.841 -10.730 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.366 -8.403 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.171 -7.613 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.737 -8.110 6.920 1.00 0.00 H new ATOM 45 N ASP A 4 9.239 -11.979 4.196 1.00 0.00 N ATOM 46 CA ASP A 4 9.318 -13.288 3.559 1.00 0.00 C ATOM 47 C ASP A 4 8.643 -13.283 2.189 1.00 0.00 C ATOM 48 O ASP A 4 8.916 -14.141 1.350 1.00 0.00 O ATOM 49 CB ASP A 4 8.681 -14.353 4.454 1.00 0.00 C ATOM 50 CG ASP A 4 8.652 -15.720 3.798 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.715 -15.984 3.016 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.566 -16.527 4.066 1.00 0.00 O ATOM 0 H ASP A 4 8.442 -11.861 4.822 1.00 0.00 H new ATOM 0 HA ASP A 4 10.372 -13.525 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.235 -14.415 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.664 -14.052 4.704 1.00 0.00 H new ATOM 57 N LEU A 5 7.758 -12.313 1.965 1.00 0.00 N ATOM 58 CA LEU A 5 7.051 -12.208 0.693 1.00 0.00 C ATOM 59 C LEU A 5 7.568 -11.030 -0.123 1.00 0.00 C ATOM 60 O LEU A 5 8.213 -11.216 -1.156 1.00 0.00 O ATOM 61 CB LEU A 5 5.547 -12.064 0.930 1.00 0.00 C ATOM 62 CG LEU A 5 4.891 -13.247 1.642 1.00 0.00 C ATOM 63 CD1 LEU A 5 5.308 -13.295 3.104 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.380 -13.167 1.520 1.00 0.00 C ATOM 0 H LEU A 5 7.515 -11.593 2.645 1.00 0.00 H new ATOM 0 HA LEU A 5 7.234 -13.122 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.371 -11.163 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.055 -11.919 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 5 5.229 -14.166 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.829 -14.145 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.391 -13.401 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.003 -12.373 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.928 -14.016 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.027 -12.241 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.098 -13.186 0.467 1.00 0.00 H new ATOM 76 N LEU A 6 7.281 -9.820 0.343 1.00 0.00 N ATOM 77 CA LEU A 6 7.724 -8.615 -0.348 1.00 0.00 C ATOM 78 C LEU A 6 9.209 -8.387 -0.113 1.00 0.00 C ATOM 79 O LEU A 6 9.763 -8.832 0.892 1.00 0.00 O ATOM 80 CB LEU A 6 6.935 -7.397 0.139 1.00 0.00 C ATOM 81 CG LEU A 6 5.415 -7.537 0.066 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.743 -6.203 0.326 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.001 -8.094 -1.288 1.00 0.00 C ATOM 0 H LEU A 6 6.745 -9.648 1.194 1.00 0.00 H new ATOM 0 HA LEU A 6 7.547 -8.749 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.216 -7.191 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.233 -6.531 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 6 5.093 -8.235 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.661 -6.323 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.017 -5.845 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.067 -5.480 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.916 -8.189 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.334 -7.419 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.456 -9.074 -1.433 1.00 0.00 H new ATOM 95 N SER A 7 9.854 -7.691 -1.043 1.00 0.00 N ATOM 96 CA SER A 7 11.274 -7.403 -0.914 1.00 0.00 C ATOM 97 C SER A 7 11.553 -6.746 0.436 1.00 0.00 C ATOM 98 O SER A 7 11.171 -5.602 0.667 1.00 0.00 O ATOM 99 CB SER A 7 11.728 -6.488 -2.050 1.00 0.00 C ATOM 100 OG SER A 7 10.771 -5.472 -2.292 1.00 0.00 O ATOM 0 H SER A 7 9.419 -7.319 -1.887 1.00 0.00 H new ATOM 0 HA SER A 7 11.832 -8.338 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.688 -6.037 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.880 -7.074 -2.956 1.00 0.00 H new ATOM 0 HG SER A 7 10.395 -5.168 -1.440 1.00 0.00 H new ATOM 106 N ALA A 8 12.230 -7.472 1.319 1.00 0.00 N ATOM 107 CA ALA A 8 12.531 -6.964 2.652 1.00 0.00 C ATOM 108 C ALA A 8 13.521 -5.804 2.614 1.00 0.00 C ATOM 109 O ALA A 8 13.337 -4.797 3.300 1.00 0.00 O ATOM 110 CB ALA A 8 13.065 -8.084 3.533 1.00 0.00 C ATOM 0 H ALA A 8 12.580 -8.412 1.136 1.00 0.00 H new ATOM 0 HA ALA A 8 11.601 -6.584 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.286 -7.692 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.317 -8.873 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.975 -8.491 3.093 1.00 0.00 H new ATOM 116 N GLU A 9 14.563 -5.942 1.804 1.00 0.00 N ATOM 117 CA GLU A 9 15.583 -4.905 1.700 1.00 0.00 C ATOM 118 C GLU A 9 15.050 -3.660 0.995 1.00 0.00 C ATOM 119 O GLU A 9 15.379 -2.541 1.375 1.00 0.00 O ATOM 120 CB GLU A 9 16.829 -5.435 0.973 1.00 0.00 C ATOM 121 CG GLU A 9 16.533 -6.191 -0.313 1.00 0.00 C ATOM 122 CD GLU A 9 16.411 -7.688 -0.098 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.452 -8.378 -0.112 1.00 0.00 O ATOM 124 OE2 GLU A 9 15.273 -8.170 0.086 1.00 0.00 O ATOM 0 H GLU A 9 14.724 -6.757 1.212 1.00 0.00 H new ATOM 0 HA GLU A 9 15.863 -4.622 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.485 -4.595 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.377 -6.092 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.607 -5.814 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.326 -5.995 -1.035 1.00 0.00 H new ATOM 131 N ASP A 10 14.210 -3.858 -0.012 1.00 0.00 N ATOM 132 CA ASP A 10 13.650 -2.745 -0.775 1.00 0.00 C ATOM 133 C ASP A 10 12.673 -1.930 0.058 1.00 0.00 C ATOM 134 O ASP A 10 12.793 -0.711 0.168 1.00 0.00 O ATOM 135 CB ASP A 10 12.918 -3.283 -1.990 1.00 0.00 C ATOM 136 CG ASP A 10 13.810 -4.118 -2.889 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.042 -3.909 -2.859 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.281 -4.981 -3.618 1.00 0.00 O ATOM 0 H ASP A 10 13.900 -4.779 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 10 14.475 -2.099 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.073 -3.887 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.511 -2.449 -2.562 1.00 0.00 H new ATOM 143 N ILE A 11 11.704 -2.619 0.640 1.00 0.00 N ATOM 144 CA ILE A 11 10.688 -1.979 1.461 1.00 0.00 C ATOM 145 C ILE A 11 11.335 -1.174 2.580 1.00 0.00 C ATOM 146 O ILE A 11 11.000 -0.012 2.792 1.00 0.00 O ATOM 147 CB ILE A 11 9.750 -3.034 2.071 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.081 -3.868 0.977 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.698 -2.372 2.949 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.611 -5.225 1.454 1.00 0.00 C ATOM 0 H ILE A 11 11.600 -3.630 0.558 1.00 0.00 H new ATOM 0 HA ILE A 11 10.111 -1.308 0.824 1.00 0.00 H new ATOM 0 HB ILE A 11 10.350 -3.701 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.229 -3.316 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.783 -4.004 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.044 -3.135 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.188 -1.827 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.107 -1.679 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.147 -5.761 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.463 -5.796 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.884 -5.097 2.256 1.00 0.00 H new ATOM 162 N LYS A 12 12.274 -1.793 3.287 1.00 0.00 N ATOM 163 CA LYS A 12 12.962 -1.120 4.381 1.00 0.00 C ATOM 164 C LYS A 12 13.631 0.164 3.891 1.00 0.00 C ATOM 165 O LYS A 12 13.443 1.234 4.472 1.00 0.00 O ATOM 166 CB LYS A 12 14.004 -2.058 4.999 1.00 0.00 C ATOM 167 CG LYS A 12 14.461 -1.643 6.388 1.00 0.00 C ATOM 168 CD LYS A 12 15.338 -0.403 6.344 1.00 0.00 C ATOM 169 CE LYS A 12 15.942 -0.099 7.706 1.00 0.00 C ATOM 170 NZ LYS A 12 16.809 1.111 7.673 1.00 0.00 N ATOM 0 H LYS A 12 12.574 -2.754 3.123 1.00 0.00 H new ATOM 0 HA LYS A 12 12.227 -0.854 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.588 -3.064 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.872 -2.105 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.590 -1.451 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.012 -2.462 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.136 -0.546 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.748 0.450 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.143 0.047 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.527 -0.955 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.201 1.283 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.587 0.963 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.246 1.934 7.377 1.00 0.00 H new ATOM 184 N LYS A 13 14.401 0.052 2.809 1.00 0.00 N ATOM 185 CA LYS A 13 15.108 1.200 2.247 1.00 0.00 C ATOM 186 C LYS A 13 14.143 2.222 1.656 1.00 0.00 C ATOM 187 O LYS A 13 14.217 3.412 1.960 1.00 0.00 O ATOM 188 CB LYS A 13 16.059 0.736 1.144 1.00 0.00 C ATOM 189 CG LYS A 13 17.032 -0.345 1.581 1.00 0.00 C ATOM 190 CD LYS A 13 17.487 -1.188 0.398 1.00 0.00 C ATOM 191 CE LYS A 13 18.370 -2.341 0.846 1.00 0.00 C ATOM 192 NZ LYS A 13 19.657 -1.863 1.422 1.00 0.00 N ATOM 0 H LYS A 13 14.550 -0.822 2.305 1.00 0.00 H new ATOM 0 HA LYS A 13 15.663 1.670 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.471 0.364 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.625 1.594 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.898 0.113 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.558 -0.985 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.616 -1.578 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.033 -0.562 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.839 -2.938 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.572 -2.994 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.272 -2.678 1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 20.128 -1.232 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.471 -1.345 2.305 1.00 0.00 H new ATOM 206 N ALA A 14 13.239 1.744 0.812 1.00 0.00 N ATOM 207 CA ALA A 14 12.268 2.608 0.153 1.00 0.00 C ATOM 208 C ALA A 14 11.355 3.300 1.157 1.00 0.00 C ATOM 209 O ALA A 14 10.983 4.460 0.972 1.00 0.00 O ATOM 210 CB ALA A 14 11.448 1.799 -0.839 1.00 0.00 C ATOM 0 H ALA A 14 13.157 0.757 0.566 1.00 0.00 H new ATOM 0 HA ALA A 14 12.816 3.386 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.724 2.450 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.109 1.364 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.922 1.003 -0.312 1.00 0.00 H new ATOM 216 N ILE A 15 10.998 2.587 2.217 1.00 0.00 N ATOM 217 CA ILE A 15 10.122 3.133 3.240 1.00 0.00 C ATOM 218 C ILE A 15 10.817 4.220 4.057 1.00 0.00 C ATOM 219 O ILE A 15 10.201 5.218 4.432 1.00 0.00 O ATOM 220 CB ILE A 15 9.571 2.012 4.131 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.528 1.309 3.299 1.00 0.00 C ATOM 222 CG2 ILE A 15 8.953 2.537 5.423 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.688 0.317 4.049 1.00 0.00 C ATOM 0 H ILE A 15 11.303 1.629 2.389 1.00 0.00 H new ATOM 0 HA ILE A 15 9.278 3.610 2.742 1.00 0.00 H new ATOM 0 HB ILE A 15 10.377 1.347 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.872 2.058 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.026 0.795 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.580 1.701 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.708 3.077 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.129 3.210 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.967 -0.137 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.329 -0.458 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.157 0.825 4.854 1.00 0.00 H new ATOM 235 N GLY A 16 12.100 4.021 4.323 1.00 0.00 N ATOM 236 CA GLY A 16 12.855 4.998 5.088 1.00 0.00 C ATOM 237 C GLY A 16 13.621 5.977 4.211 1.00 0.00 C ATOM 238 O GLY A 16 14.194 6.945 4.711 1.00 0.00 O ATOM 0 H GLY A 16 12.632 3.204 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.173 5.553 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.556 4.477 5.740 1.00 0.00 H new ATOM 242 N ALA A 17 13.633 5.731 2.901 1.00 0.00 N ATOM 243 CA ALA A 17 14.346 6.593 1.961 1.00 0.00 C ATOM 244 C ALA A 17 13.435 7.638 1.321 1.00 0.00 C ATOM 245 O ALA A 17 13.915 8.592 0.709 1.00 0.00 O ATOM 246 CB ALA A 17 14.991 5.750 0.874 1.00 0.00 C ATOM 0 H ALA A 17 13.156 4.941 2.467 1.00 0.00 H new ATOM 0 HA ALA A 17 15.109 7.125 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.521 6.399 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.695 5.051 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.221 5.195 0.339 1.00 0.00 H new ATOM 252 N PHE A 18 12.126 7.461 1.457 1.00 0.00 N ATOM 253 CA PHE A 18 11.174 8.385 0.848 1.00 0.00 C ATOM 254 C PHE A 18 10.503 9.293 1.874 1.00 0.00 C ATOM 255 O PHE A 18 9.561 8.885 2.554 1.00 0.00 O ATOM 256 CB PHE A 18 10.105 7.603 0.095 1.00 0.00 C ATOM 257 CG PHE A 18 10.646 6.653 -0.936 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.927 6.796 -1.450 1.00 0.00 C ATOM 259 CD2 PHE A 18 9.860 5.615 -1.395 1.00 0.00 C ATOM 260 CE1 PHE A 18 12.409 5.916 -2.398 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.331 4.735 -2.342 1.00 0.00 C ATOM 262 CZ PHE A 18 11.609 4.882 -2.846 1.00 0.00 C ATOM 0 H PHE A 18 11.701 6.694 1.978 1.00 0.00 H new ATOM 0 HA PHE A 18 11.737 9.019 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.509 7.040 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.433 8.308 -0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.554 7.605 -1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.860 5.492 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.409 6.035 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.702 3.930 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.982 4.191 -3.588 1.00 0.00 H new ATOM 272 N THR A 19 10.991 10.523 1.978 1.00 0.00 N ATOM 273 CA THR A 19 10.415 11.492 2.902 1.00 0.00 C ATOM 274 C THR A 19 9.337 12.328 2.209 1.00 0.00 C ATOM 275 O THR A 19 8.242 12.502 2.736 1.00 0.00 O ATOM 276 CB THR A 19 11.494 12.433 3.469 1.00 0.00 C ATOM 277 OG1 THR A 19 12.518 11.670 4.117 1.00 0.00 O ATOM 278 CG2 THR A 19 10.890 13.419 4.457 1.00 0.00 C ATOM 0 H THR A 19 11.781 10.872 1.436 1.00 0.00 H new ATOM 0 HA THR A 19 9.968 10.930 3.722 1.00 0.00 H new ATOM 0 HB THR A 19 11.926 12.993 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.201 12.276 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.672 14.072 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.131 14.019 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.433 12.873 5.282 1.00 0.00 H new ATOM 286 N ALA A 20 9.682 12.860 1.034 1.00 0.00 N ATOM 287 CA ALA A 20 8.771 13.682 0.236 1.00 0.00 C ATOM 288 C ALA A 20 8.138 12.894 -0.911 1.00 0.00 C ATOM 289 O ALA A 20 6.916 12.830 -1.037 1.00 0.00 O ATOM 290 CB ALA A 20 9.503 14.900 -0.307 1.00 0.00 C ATOM 0 H ALA A 20 10.601 12.733 0.610 1.00 0.00 H new ATOM 0 HA ALA A 20 7.964 14.005 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.815 15.504 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.886 15.494 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.333 14.576 -0.934 1.00 0.00 H new ATOM 296 N ALA A 21 8.982 12.310 -1.764 1.00 0.00 N ATOM 297 CA ALA A 21 8.513 11.539 -2.920 1.00 0.00 C ATOM 298 C ALA A 21 7.308 10.675 -2.574 1.00 0.00 C ATOM 299 O ALA A 21 6.203 10.893 -3.073 1.00 0.00 O ATOM 300 CB ALA A 21 9.640 10.675 -3.463 1.00 0.00 C ATOM 0 H ALA A 21 9.997 12.356 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 21 8.199 12.249 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.282 10.106 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.470 11.311 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.977 9.987 -2.687 1.00 0.00 H new ATOM 306 N ASP A 22 7.535 9.698 -1.715 1.00 0.00 N ATOM 307 CA ASP A 22 6.478 8.796 -1.279 1.00 0.00 C ATOM 308 C ASP A 22 5.423 9.558 -0.480 1.00 0.00 C ATOM 309 O ASP A 22 4.295 9.089 -0.315 1.00 0.00 O ATOM 310 CB ASP A 22 7.064 7.664 -0.430 1.00 0.00 C ATOM 311 CG ASP A 22 5.996 6.793 0.201 1.00 0.00 C ATOM 312 OD1 ASP A 22 5.208 6.183 -0.550 1.00 0.00 O ATOM 313 OD2 ASP A 22 5.945 6.724 1.448 1.00 0.00 O ATOM 0 H ASP A 22 8.448 9.506 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 22 6.004 8.366 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.710 7.045 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.690 8.090 0.354 1.00 0.00 H new ATOM 318 N SER A 23 5.795 10.733 0.017 1.00 0.00 N ATOM 319 CA SER A 23 4.895 11.557 0.797 1.00 0.00 C ATOM 320 C SER A 23 3.668 11.955 -0.021 1.00 0.00 C ATOM 321 O SER A 23 2.536 11.853 0.451 1.00 0.00 O ATOM 322 CB SER A 23 5.632 12.809 1.271 1.00 0.00 C ATOM 323 OG SER A 23 5.219 13.189 2.572 1.00 0.00 O ATOM 0 H SER A 23 6.724 11.134 -0.112 1.00 0.00 H new ATOM 0 HA SER A 23 4.556 10.981 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.706 12.624 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.447 13.627 0.575 1.00 0.00 H new ATOM 0 HG SER A 23 5.978 13.122 3.189 1.00 0.00 H new ATOM 329 N PHE A 24 3.906 12.406 -1.249 1.00 0.00 N ATOM 330 CA PHE A 24 2.823 12.840 -2.124 1.00 0.00 C ATOM 331 C PHE A 24 2.363 11.744 -3.087 1.00 0.00 C ATOM 332 O PHE A 24 1.250 11.808 -3.609 1.00 0.00 O ATOM 333 CB PHE A 24 3.255 14.073 -2.919 1.00 0.00 C ATOM 334 CG PHE A 24 4.485 13.849 -3.754 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.423 13.099 -4.918 1.00 0.00 C ATOM 336 CD2 PHE A 24 5.704 14.389 -3.372 1.00 0.00 C ATOM 337 CE1 PHE A 24 5.553 12.892 -5.686 1.00 0.00 C ATOM 338 CE2 PHE A 24 6.837 14.185 -4.138 1.00 0.00 C ATOM 339 CZ PHE A 24 6.761 13.435 -5.295 1.00 0.00 C ATOM 0 H PHE A 24 4.837 12.480 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 24 1.976 13.083 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.436 14.382 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.440 14.895 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.481 12.672 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.769 14.975 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.491 12.306 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.781 14.612 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.645 13.273 -5.893 1.00 0.00 H new ATOM 349 N ASP A 25 3.204 10.740 -3.330 1.00 0.00 N ATOM 350 CA ASP A 25 2.834 9.675 -4.261 1.00 0.00 C ATOM 351 C ASP A 25 3.522 8.347 -3.949 1.00 0.00 C ATOM 352 O ASP A 25 4.679 8.134 -4.314 1.00 0.00 O ATOM 353 CB ASP A 25 3.169 10.104 -5.692 1.00 0.00 C ATOM 354 CG ASP A 25 2.825 9.042 -6.715 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.639 8.947 -7.097 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.741 8.303 -7.135 1.00 0.00 O ATOM 0 H ASP A 25 4.126 10.641 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 25 1.762 9.513 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.628 11.020 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.232 10.336 -5.758 1.00 0.00 H new ATOM 361 N HIS A 26 2.801 7.458 -3.269 1.00 0.00 N ATOM 362 CA HIS A 26 3.323 6.136 -2.933 1.00 0.00 C ATOM 363 C HIS A 26 3.404 5.268 -4.188 1.00 0.00 C ATOM 364 O HIS A 26 4.184 4.328 -4.242 1.00 0.00 O ATOM 365 CB HIS A 26 2.456 5.499 -1.823 1.00 0.00 C ATOM 366 CG HIS A 26 2.524 3.997 -1.657 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.471 3.177 -2.242 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.739 3.172 -0.921 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.262 1.926 -1.875 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.218 1.896 -1.075 1.00 0.00 N ATOM 0 H HIS A 26 1.851 7.630 -2.939 1.00 0.00 H new ATOM 0 HA HIS A 26 4.337 6.224 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.737 5.955 -0.874 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.417 5.770 -2.011 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.217 3.491 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.890 3.466 -0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.849 1.072 -2.180 1.00 0.00 H new ATOM 379 N LYS A 27 2.651 5.629 -5.234 1.00 0.00 N ATOM 380 CA LYS A 27 2.657 4.867 -6.473 1.00 0.00 C ATOM 381 C LYS A 27 4.086 4.519 -6.880 1.00 0.00 C ATOM 382 O LYS A 27 4.402 3.360 -7.153 1.00 0.00 O ATOM 383 CB LYS A 27 1.976 5.666 -7.583 1.00 0.00 C ATOM 384 CG LYS A 27 0.483 5.840 -7.400 1.00 0.00 C ATOM 385 CD LYS A 27 -0.204 4.501 -7.379 1.00 0.00 C ATOM 386 CE LYS A 27 0.000 3.766 -8.689 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.434 4.585 -9.857 1.00 0.00 N ATOM 0 H LYS A 27 2.035 6.442 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 27 2.106 3.940 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.440 6.650 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.158 5.169 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.284 6.372 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.080 6.450 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.186 3.901 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.270 4.638 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.053 3.505 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.560 2.831 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.358 4.018 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.421 4.884 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.174 5.425 -9.938 1.00 0.00 H new ATOM 401 N LYS A 28 4.955 5.519 -6.901 1.00 0.00 N ATOM 402 CA LYS A 28 6.348 5.282 -7.228 1.00 0.00 C ATOM 403 C LYS A 28 6.925 4.326 -6.197 1.00 0.00 C ATOM 404 O LYS A 28 7.591 3.349 -6.533 1.00 0.00 O ATOM 405 CB LYS A 28 7.134 6.596 -7.228 1.00 0.00 C ATOM 406 CG LYS A 28 6.608 7.624 -8.215 1.00 0.00 C ATOM 407 CD LYS A 28 7.517 7.751 -9.426 1.00 0.00 C ATOM 408 CE LYS A 28 7.697 6.419 -10.135 1.00 0.00 C ATOM 409 NZ LYS A 28 8.613 6.532 -11.302 1.00 0.00 N ATOM 0 H LYS A 28 4.721 6.491 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 28 6.422 4.849 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.110 7.023 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.178 6.384 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.607 7.340 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.521 8.592 -7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.098 8.479 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.489 8.131 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.092 5.684 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.727 6.051 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.710 5.603 -11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.224 7.214 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.547 6.858 -10.980 1.00 0.00 H new ATOM 423 N PHE A 29 6.639 4.621 -4.931 1.00 0.00 N ATOM 424 CA PHE A 29 7.088 3.796 -3.818 1.00 0.00 C ATOM 425 C PHE A 29 6.581 2.365 -3.995 1.00 0.00 C ATOM 426 O PHE A 29 7.204 1.410 -3.533 1.00 0.00 O ATOM 427 CB PHE A 29 6.622 4.418 -2.490 1.00 0.00 C ATOM 428 CG PHE A 29 6.645 3.494 -1.301 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.736 2.682 -1.041 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.561 3.440 -0.441 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.742 1.839 0.055 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.559 2.596 0.649 1.00 0.00 C ATOM 433 CZ PHE A 29 6.649 1.795 0.896 1.00 0.00 C ATOM 0 H PHE A 29 6.092 5.435 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 29 8.177 3.756 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.252 5.280 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.606 4.791 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.591 2.707 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.703 4.069 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.601 1.216 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.703 2.564 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.650 1.132 1.748 1.00 0.00 H new ATOM 443 N PHE A 30 5.445 2.227 -4.681 1.00 0.00 N ATOM 444 CA PHE A 30 4.863 0.917 -4.957 1.00 0.00 C ATOM 445 C PHE A 30 5.824 0.091 -5.805 1.00 0.00 C ATOM 446 O PHE A 30 5.847 -1.137 -5.734 1.00 0.00 O ATOM 447 CB PHE A 30 3.533 1.070 -5.697 1.00 0.00 C ATOM 448 CG PHE A 30 2.415 0.277 -5.086 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.179 -1.029 -5.481 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.611 0.833 -4.105 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.163 -1.766 -4.909 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.589 0.101 -3.532 1.00 0.00 C ATOM 453 CZ PHE A 30 0.366 -1.202 -3.933 1.00 0.00 C ATOM 0 H PHE A 30 4.910 3.010 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 30 4.685 0.409 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.254 2.124 -5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.665 0.759 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.797 -1.476 -6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.785 1.850 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.991 -2.784 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.035 0.547 -2.771 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.430 -1.778 -3.484 1.00 0.00 H new ATOM 463 N GLN A 31 6.589 0.790 -6.635 1.00 0.00 N ATOM 464 CA GLN A 31 7.566 0.156 -7.507 1.00 0.00 C ATOM 465 C GLN A 31 8.890 -0.068 -6.779 1.00 0.00 C ATOM 466 O GLN A 31 9.522 -1.112 -6.929 1.00 0.00 O ATOM 467 CB GLN A 31 7.776 1.015 -8.752 1.00 0.00 C ATOM 468 CG GLN A 31 6.481 1.520 -9.366 1.00 0.00 C ATOM 469 CD GLN A 31 6.703 2.250 -10.674 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.652 1.963 -11.405 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.825 3.197 -10.978 1.00 0.00 N ATOM 0 H GLN A 31 6.549 1.806 -6.721 1.00 0.00 H new ATOM 0 HA GLN A 31 7.184 -0.820 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.403 1.868 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.320 0.434 -9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.810 0.678 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.985 2.187 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.054 3.401 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.921 3.721 -11.848 1.00 0.00 H new ATOM 480 N MET A 32 9.299 0.923 -5.993 1.00 0.00 N ATOM 481 CA MET A 32 10.551 0.845 -5.240 1.00 0.00 C ATOM 482 C MET A 32 10.427 -0.142 -4.088 1.00 0.00 C ATOM 483 O MET A 32 11.382 -0.829 -3.728 1.00 0.00 O ATOM 484 CB MET A 32 10.939 2.214 -4.688 1.00 0.00 C ATOM 485 CG MET A 32 10.463 3.375 -5.534 1.00 0.00 C ATOM 486 SD MET A 32 10.739 3.132 -7.302 1.00 0.00 S ATOM 487 CE MET A 32 12.524 2.998 -7.352 1.00 0.00 C ATOM 0 H MET A 32 8.782 1.792 -5.859 1.00 0.00 H new ATOM 0 HA MET A 32 11.326 0.502 -5.925 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.530 2.318 -3.683 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.024 2.264 -4.598 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.399 3.532 -5.358 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.976 4.282 -5.215 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.857 2.952 -8.389 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.968 3.867 -6.867 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.836 2.093 -6.831 1.00 0.00 H new ATOM 497 N VAL A 33 9.231 -0.194 -3.517 1.00 0.00 N ATOM 498 CA VAL A 33 8.938 -1.069 -2.390 1.00 0.00 C ATOM 499 C VAL A 33 9.005 -2.539 -2.777 1.00 0.00 C ATOM 500 O VAL A 33 9.170 -3.411 -1.926 1.00 0.00 O ATOM 501 CB VAL A 33 7.536 -0.757 -1.837 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.464 -1.149 -2.830 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.299 -1.442 -0.513 1.00 0.00 C ATOM 0 H VAL A 33 8.437 0.369 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 33 9.696 -0.884 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 33 7.483 0.319 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.482 -0.919 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.606 -0.594 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.530 -2.218 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.300 -1.200 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.387 -2.521 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.039 -1.101 0.211 1.00 0.00 H new ATOM 513 N GLY A 34 8.877 -2.803 -4.066 1.00 0.00 N ATOM 514 CA GLY A 34 8.910 -4.167 -4.546 1.00 0.00 C ATOM 515 C GLY A 34 7.580 -4.863 -4.348 1.00 0.00 C ATOM 516 O GLY A 34 7.515 -6.091 -4.295 1.00 0.00 O ATOM 0 H GLY A 34 8.751 -2.096 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.170 -4.174 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.691 -4.718 -4.022 1.00 0.00 H new ATOM 520 N LEU A 35 6.515 -4.071 -4.239 1.00 0.00 N ATOM 521 CA LEU A 35 5.180 -4.617 -4.054 1.00 0.00 C ATOM 522 C LEU A 35 4.785 -5.379 -5.304 1.00 0.00 C ATOM 523 O LEU A 35 4.065 -6.376 -5.249 1.00 0.00 O ATOM 524 CB LEU A 35 4.170 -3.500 -3.766 1.00 0.00 C ATOM 525 CG LEU A 35 3.612 -3.482 -2.340 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.931 -2.166 -1.647 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.112 -3.719 -2.361 1.00 0.00 C ATOM 0 H LEU A 35 6.554 -3.052 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 35 5.181 -5.291 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.646 -2.540 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.338 -3.594 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 35 4.088 -4.285 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.524 -2.179 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.012 -2.032 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.486 -1.343 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.727 -3.704 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.628 -2.935 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.903 -4.688 -2.813 1.00 0.00 H new ATOM 539 N LYS A 36 5.276 -4.894 -6.439 1.00 0.00 N ATOM 540 CA LYS A 36 5.017 -5.521 -7.720 1.00 0.00 C ATOM 541 C LYS A 36 5.956 -6.715 -7.932 1.00 0.00 C ATOM 542 O LYS A 36 5.750 -7.522 -8.839 1.00 0.00 O ATOM 543 CB LYS A 36 5.211 -4.499 -8.841 1.00 0.00 C ATOM 544 CG LYS A 36 4.278 -3.297 -8.755 1.00 0.00 C ATOM 545 CD LYS A 36 5.055 -1.998 -8.905 1.00 0.00 C ATOM 546 CE LYS A 36 5.890 -1.992 -10.169 1.00 0.00 C ATOM 547 NZ LYS A 36 5.077 -2.303 -11.376 1.00 0.00 N ATOM 0 H LYS A 36 5.861 -4.060 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 36 3.989 -5.882 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.242 -4.147 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.060 -4.995 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.519 -3.364 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.755 -3.305 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.361 -1.158 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.703 -1.858 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.358 -1.015 -10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.694 -2.722 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.647 -2.140 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.776 -3.298 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.238 -1.688 -11.398 1.00 0.00 H new ATOM 561 N LYS A 37 6.994 -6.820 -7.089 1.00 0.00 N ATOM 562 CA LYS A 37 7.969 -7.906 -7.183 1.00 0.00 C ATOM 563 C LYS A 37 7.295 -9.251 -7.436 1.00 0.00 C ATOM 564 O LYS A 37 7.851 -10.113 -8.117 1.00 0.00 O ATOM 565 CB LYS A 37 8.807 -7.965 -5.900 1.00 0.00 C ATOM 566 CG LYS A 37 9.877 -9.043 -5.918 1.00 0.00 C ATOM 567 CD LYS A 37 9.494 -10.223 -5.038 1.00 0.00 C ATOM 568 CE LYS A 37 10.581 -11.286 -5.028 1.00 0.00 C ATOM 569 NZ LYS A 37 10.868 -11.805 -6.394 1.00 0.00 N ATOM 0 H LYS A 37 7.176 -6.160 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 37 8.619 -7.701 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.282 -6.997 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.145 -8.137 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.032 -9.386 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.823 -8.624 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.313 -9.876 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.561 -10.658 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.492 -10.868 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.275 -12.111 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.444 -12.668 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.973 -12.024 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.387 -11.086 -6.937 1.00 0.00 H new ATOM 583 N LYS A 38 6.100 -9.429 -6.888 1.00 0.00 N ATOM 584 CA LYS A 38 5.358 -10.672 -7.070 1.00 0.00 C ATOM 585 C LYS A 38 3.874 -10.398 -7.280 1.00 0.00 C ATOM 586 O LYS A 38 3.442 -9.246 -7.304 1.00 0.00 O ATOM 587 CB LYS A 38 5.557 -11.599 -5.870 1.00 0.00 C ATOM 588 CG LYS A 38 6.548 -12.722 -6.130 1.00 0.00 C ATOM 589 CD LYS A 38 6.663 -13.652 -4.932 1.00 0.00 C ATOM 590 CE LYS A 38 7.363 -12.974 -3.766 1.00 0.00 C ATOM 591 NZ LYS A 38 7.415 -13.851 -2.563 1.00 0.00 N ATOM 0 H LYS A 38 5.624 -8.732 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 38 5.746 -11.164 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.901 -11.011 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.596 -12.031 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.233 -13.291 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.526 -12.300 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.668 -13.974 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.214 -14.548 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.376 -12.701 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.843 -12.049 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.001 -13.402 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.452 -13.995 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.828 -14.770 -2.821 1.00 0.00 H new ATOM 605 N SER A 39 3.099 -11.464 -7.433 1.00 0.00 N ATOM 606 CA SER A 39 1.662 -11.339 -7.646 1.00 0.00 C ATOM 607 C SER A 39 1.008 -10.561 -6.510 1.00 0.00 C ATOM 608 O SER A 39 1.610 -10.352 -5.458 1.00 0.00 O ATOM 609 CB SER A 39 1.020 -12.721 -7.766 1.00 0.00 C ATOM 610 OG SER A 39 1.573 -13.449 -8.849 1.00 0.00 O ATOM 0 H SER A 39 3.441 -12.425 -7.414 1.00 0.00 H new ATOM 0 HA SER A 39 1.506 -10.791 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.167 -13.275 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.056 -12.615 -7.907 1.00 0.00 H new ATOM 0 HG SER A 39 1.147 -14.330 -8.903 1.00 0.00 H new ATOM 616 N ALA A 40 -0.231 -10.134 -6.731 1.00 0.00 N ATOM 617 CA ALA A 40 -0.973 -9.388 -5.728 1.00 0.00 C ATOM 618 C ALA A 40 -1.220 -10.236 -4.482 1.00 0.00 C ATOM 619 O ALA A 40 -1.533 -9.710 -3.414 1.00 0.00 O ATOM 620 CB ALA A 40 -2.292 -8.914 -6.316 1.00 0.00 C ATOM 0 H ALA A 40 -0.741 -10.294 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.380 -8.524 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.846 -8.355 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.098 -8.271 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.879 -9.776 -6.634 1.00 0.00 H new ATOM 626 N ASP A 41 -1.081 -11.552 -4.624 1.00 0.00 N ATOM 627 CA ASP A 41 -1.289 -12.468 -3.509 1.00 0.00 C ATOM 628 C ASP A 41 -0.286 -12.205 -2.389 1.00 0.00 C ATOM 629 O ASP A 41 -0.659 -12.109 -1.220 1.00 0.00 O ATOM 630 CB ASP A 41 -1.167 -13.916 -3.986 1.00 0.00 C ATOM 631 CG ASP A 41 -2.162 -14.250 -5.078 1.00 0.00 C ATOM 632 OD1 ASP A 41 -3.309 -14.620 -4.744 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.796 -14.142 -6.267 1.00 0.00 O ATOM 0 H ASP A 41 -0.825 -12.006 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.293 -12.301 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.156 -14.091 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.319 -14.588 -3.141 1.00 0.00 H new ATOM 638 N ASP A 42 0.986 -12.087 -2.752 1.00 0.00 N ATOM 639 CA ASP A 42 2.038 -11.840 -1.772 1.00 0.00 C ATOM 640 C ASP A 42 1.807 -10.519 -1.043 1.00 0.00 C ATOM 641 O ASP A 42 1.797 -10.473 0.187 1.00 0.00 O ATOM 642 CB ASP A 42 3.407 -11.831 -2.452 1.00 0.00 C ATOM 643 CG ASP A 42 3.738 -13.164 -3.097 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.384 -13.357 -4.277 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.352 -14.013 -2.416 1.00 0.00 O ATOM 0 H ASP A 42 1.314 -12.158 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 42 2.011 -12.646 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.429 -11.048 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.174 -11.585 -1.717 1.00 0.00 H new ATOM 650 N VAL A 43 1.623 -9.449 -1.807 1.00 0.00 N ATOM 651 CA VAL A 43 1.383 -8.130 -1.231 1.00 0.00 C ATOM 652 C VAL A 43 0.134 -8.142 -0.361 1.00 0.00 C ATOM 653 O VAL A 43 0.094 -7.525 0.701 1.00 0.00 O ATOM 654 CB VAL A 43 1.218 -7.062 -2.329 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.510 -6.884 -3.111 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.075 -7.437 -3.259 1.00 0.00 C ATOM 0 H VAL A 43 1.635 -9.468 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 43 2.251 -7.881 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 43 0.981 -6.111 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.368 -6.125 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.305 -6.571 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.785 -7.829 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.031 -6.674 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.287 -8.399 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.851 -7.507 -2.688 1.00 0.00 H new ATOM 666 N LYS A 44 -0.874 -8.874 -0.814 1.00 0.00 N ATOM 667 CA LYS A 44 -2.134 -8.984 -0.094 1.00 0.00 C ATOM 668 C LYS A 44 -1.906 -9.377 1.361 1.00 0.00 C ATOM 669 O LYS A 44 -2.693 -9.023 2.238 1.00 0.00 O ATOM 670 CB LYS A 44 -3.056 -10.003 -0.767 1.00 0.00 C ATOM 671 CG LYS A 44 -4.344 -9.394 -1.297 1.00 0.00 C ATOM 672 CD LYS A 44 -5.295 -10.449 -1.829 1.00 0.00 C ATOM 673 CE LYS A 44 -5.525 -11.564 -0.820 1.00 0.00 C ATOM 674 NZ LYS A 44 -4.596 -12.708 -1.033 1.00 0.00 N ATOM 0 H LYS A 44 -0.842 -9.405 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.611 -8.004 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.522 -10.477 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.301 -10.788 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.834 -8.833 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.110 -8.684 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.248 -9.985 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.892 -10.870 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.394 -11.173 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.555 -11.914 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.145 -13.584 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.031 -12.541 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.963 -12.798 -0.213 1.00 0.00 H new ATOM 688 N LYS A 45 -0.825 -10.106 1.617 1.00 0.00 N ATOM 689 CA LYS A 45 -0.541 -10.568 2.962 1.00 0.00 C ATOM 690 C LYS A 45 -0.388 -9.380 3.884 1.00 0.00 C ATOM 691 O LYS A 45 -0.989 -9.335 4.957 1.00 0.00 O ATOM 692 CB LYS A 45 0.715 -11.440 2.990 1.00 0.00 C ATOM 693 CG LYS A 45 0.434 -12.903 2.690 1.00 0.00 C ATOM 694 CD LYS A 45 -0.085 -13.094 1.274 1.00 0.00 C ATOM 695 CE LYS A 45 -0.504 -14.536 1.026 1.00 0.00 C ATOM 696 NZ LYS A 45 -1.118 -14.713 -0.318 1.00 0.00 N ATOM 0 H LYS A 45 -0.140 -10.385 0.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.375 -11.181 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.431 -11.058 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.183 -11.360 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.346 -13.484 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.297 -13.287 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.934 -12.432 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.688 -12.810 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.365 -15.187 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.214 -14.845 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.037 -15.191 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.257 -13.783 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.490 -15.290 -0.913 1.00 0.00 H new ATOM 710 N VAL A 46 0.399 -8.403 3.449 1.00 0.00 N ATOM 711 CA VAL A 46 0.604 -7.199 4.234 1.00 0.00 C ATOM 712 C VAL A 46 -0.753 -6.594 4.573 1.00 0.00 C ATOM 713 O VAL A 46 -0.942 -5.982 5.624 1.00 0.00 O ATOM 714 CB VAL A 46 1.498 -6.181 3.475 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.689 -5.211 2.612 1.00 0.00 C ATOM 716 CG2 VAL A 46 2.376 -5.414 4.451 1.00 0.00 C ATOM 0 H VAL A 46 0.902 -8.423 2.562 1.00 0.00 H new ATOM 0 HA VAL A 46 1.125 -7.454 5.157 1.00 0.00 H new ATOM 0 HB VAL A 46 2.128 -6.758 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.366 -4.523 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.120 -5.772 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.004 -4.646 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.996 -4.705 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.747 -4.874 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.015 -6.112 4.992 1.00 0.00 H new ATOM 726 N PHE A 47 -1.691 -6.782 3.648 1.00 0.00 N ATOM 727 CA PHE A 47 -3.039 -6.290 3.818 1.00 0.00 C ATOM 728 C PHE A 47 -3.642 -6.886 5.077 1.00 0.00 C ATOM 729 O PHE A 47 -4.329 -6.208 5.840 1.00 0.00 O ATOM 730 CB PHE A 47 -3.880 -6.660 2.610 1.00 0.00 C ATOM 731 CG PHE A 47 -4.903 -5.628 2.240 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.513 -4.348 1.886 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.251 -5.938 2.239 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.448 -3.396 1.538 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.194 -4.990 1.891 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.792 -3.718 1.539 1.00 0.00 C ATOM 0 H PHE A 47 -1.532 -7.276 2.770 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.018 -5.204 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.221 -6.825 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.387 -7.604 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.464 -4.092 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.570 -6.933 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.131 -2.400 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.244 -5.244 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.526 -2.975 1.265 1.00 0.00 H new ATOM 746 N HIS A 48 -3.369 -8.172 5.277 1.00 0.00 N ATOM 747 CA HIS A 48 -3.853 -8.887 6.445 1.00 0.00 C ATOM 748 C HIS A 48 -3.034 -8.485 7.662 1.00 0.00 C ATOM 749 O HIS A 48 -3.563 -8.338 8.762 1.00 0.00 O ATOM 750 CB HIS A 48 -3.771 -10.397 6.223 1.00 0.00 C ATOM 751 CG HIS A 48 -4.292 -11.199 7.376 1.00 0.00 C ATOM 752 ND1 HIS A 48 -5.578 -11.692 7.428 1.00 0.00 N ATOM 753 CD2 HIS A 48 -3.692 -11.596 8.522 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.748 -12.357 8.558 1.00 0.00 C ATOM 755 NE2 HIS A 48 -4.617 -12.313 9.240 1.00 0.00 N ATOM 0 H HIS A 48 -2.811 -8.740 4.639 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.898 -8.626 6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.334 -10.656 5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.733 -10.673 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.674 -11.388 8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.656 -12.852 8.870 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.457 -12.742 10.152 1.00 0.00 H new ATOM 764 N ILE A 49 -1.728 -8.308 7.451 1.00 0.00 N ATOM 765 CA ILE A 49 -0.828 -7.890 8.520 1.00 0.00 C ATOM 766 C ILE A 49 -1.397 -6.663 9.212 1.00 0.00 C ATOM 767 O ILE A 49 -1.496 -6.601 10.437 1.00 0.00 O ATOM 768 CB ILE A 49 0.570 -7.529 7.970 1.00 0.00 C ATOM 769 CG1 ILE A 49 1.194 -8.712 7.234 1.00 0.00 C ATOM 770 CG2 ILE A 49 1.486 -7.068 9.094 1.00 0.00 C ATOM 771 CD1 ILE A 49 1.487 -9.898 8.122 1.00 0.00 C ATOM 0 H ILE A 49 -1.273 -8.448 6.549 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.732 -8.722 9.218 1.00 0.00 H new ATOM 0 HB ILE A 49 0.447 -6.711 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.522 -9.026 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.121 -8.386 6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.465 -6.819 8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.058 -6.188 9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.592 -7.867 9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.929 -10.698 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.184 -9.602 8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.560 -10.252 8.574 1.00 0.00 H new ATOM 783 N LEU A 50 -1.770 -5.689 8.395 1.00 0.00 N ATOM 784 CA LEU A 50 -2.337 -4.450 8.871 1.00 0.00 C ATOM 785 C LEU A 50 -3.836 -4.588 9.143 1.00 0.00 C ATOM 786 O LEU A 50 -4.338 -4.098 10.155 1.00 0.00 O ATOM 787 CB LEU A 50 -2.075 -3.369 7.828 1.00 0.00 C ATOM 788 CG LEU A 50 -2.746 -3.586 6.466 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.141 -2.978 6.437 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.890 -2.997 5.356 1.00 0.00 C ATOM 0 H LEU A 50 -1.685 -5.743 7.380 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.867 -4.179 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.410 -2.413 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.999 -3.291 7.674 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.843 -4.660 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.592 -3.148 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.757 -3.444 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.075 -1.906 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.379 -3.158 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.763 -1.927 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.914 -3.482 5.353 1.00 0.00 H new ATOM 802 N ASP A 51 -4.546 -5.262 8.240 1.00 0.00 N ATOM 803 CA ASP A 51 -5.987 -5.450 8.387 1.00 0.00 C ATOM 804 C ASP A 51 -6.357 -6.931 8.469 1.00 0.00 C ATOM 805 O ASP A 51 -6.534 -7.587 7.447 1.00 0.00 O ATOM 806 CB ASP A 51 -6.712 -4.813 7.208 1.00 0.00 C ATOM 807 CG ASP A 51 -7.329 -3.472 7.557 1.00 0.00 C ATOM 808 OD1 ASP A 51 -8.446 -3.459 8.115 1.00 0.00 O ATOM 809 OD2 ASP A 51 -6.696 -2.434 7.271 1.00 0.00 O ATOM 0 H ASP A 51 -4.148 -5.686 7.402 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.292 -4.971 9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.011 -4.683 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.493 -5.488 6.859 1.00 0.00 H new ATOM 814 N LYS A 52 -6.521 -7.439 9.687 1.00 0.00 N ATOM 815 CA LYS A 52 -6.847 -8.849 9.889 1.00 0.00 C ATOM 816 C LYS A 52 -8.139 -9.231 9.171 1.00 0.00 C ATOM 817 O LYS A 52 -8.180 -10.215 8.436 1.00 0.00 O ATOM 818 CB LYS A 52 -6.953 -9.165 11.383 1.00 0.00 C ATOM 819 CG LYS A 52 -8.165 -8.547 12.059 1.00 0.00 C ATOM 820 CD LYS A 52 -8.192 -8.859 13.545 1.00 0.00 C ATOM 821 CE LYS A 52 -6.954 -8.331 14.250 1.00 0.00 C ATOM 822 NZ LYS A 52 -6.984 -8.613 15.712 1.00 0.00 N ATOM 0 H LYS A 52 -6.434 -6.898 10.547 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.039 -9.442 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.988 -10.247 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.051 -8.813 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.153 -7.467 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.075 -8.922 11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.082 -8.419 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.262 -9.937 13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.065 -8.784 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.876 -7.256 14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.122 -8.237 16.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.818 -8.159 16.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.033 -9.640 15.866 1.00 0.00 H new ATOM 836 N ASP A 53 -9.190 -8.450 9.389 1.00 0.00 N ATOM 837 CA ASP A 53 -10.474 -8.708 8.748 1.00 0.00 C ATOM 838 C ASP A 53 -10.671 -7.788 7.554 1.00 0.00 C ATOM 839 O ASP A 53 -11.446 -8.086 6.646 1.00 0.00 O ATOM 840 CB ASP A 53 -11.615 -8.514 9.749 1.00 0.00 C ATOM 841 CG ASP A 53 -12.973 -8.819 9.147 1.00 0.00 C ATOM 842 OD1 ASP A 53 -13.544 -7.927 8.486 1.00 0.00 O ATOM 843 OD2 ASP A 53 -13.467 -9.951 9.340 1.00 0.00 O ATOM 0 H ASP A 53 -9.179 -7.635 10.003 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.480 -9.740 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.451 -9.159 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.605 -7.486 10.112 1.00 0.00 H new ATOM 848 N LYS A 54 -9.955 -6.661 7.560 1.00 0.00 N ATOM 849 CA LYS A 54 -10.046 -5.689 6.478 1.00 0.00 C ATOM 850 C LYS A 54 -11.482 -5.216 6.268 1.00 0.00 C ATOM 851 O LYS A 54 -11.766 -4.522 5.300 1.00 0.00 O ATOM 852 CB LYS A 54 -9.534 -6.296 5.175 1.00 0.00 C ATOM 853 CG LYS A 54 -8.427 -7.323 5.350 1.00 0.00 C ATOM 854 CD LYS A 54 -8.278 -8.181 4.109 1.00 0.00 C ATOM 855 CE LYS A 54 -7.002 -9.007 4.153 1.00 0.00 C ATOM 856 NZ LYS A 54 -6.834 -9.835 2.927 1.00 0.00 N ATOM 0 H LYS A 54 -9.307 -6.403 8.304 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.431 -4.834 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.369 -6.766 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.170 -5.494 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.486 -6.815 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.647 -7.956 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.139 -8.844 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.271 -7.545 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.144 -8.344 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.019 -9.655 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.211 -10.641 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.762 -10.186 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.411 -9.257 2.173 1.00 0.00 H new ATOM 870 N SER A 55 -12.385 -5.573 7.190 1.00 0.00 N ATOM 871 CA SER A 55 -13.806 -5.236 7.063 1.00 0.00 C ATOM 872 C SER A 55 -14.288 -5.357 5.606 1.00 0.00 C ATOM 873 O SER A 55 -15.220 -4.671 5.188 1.00 0.00 O ATOM 874 CB SER A 55 -14.072 -3.823 7.588 1.00 0.00 C ATOM 875 OG SER A 55 -13.331 -2.860 6.858 1.00 0.00 O ATOM 0 H SER A 55 -12.154 -6.097 8.034 1.00 0.00 H new ATOM 0 HA SER A 55 -14.367 -5.951 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.136 -3.599 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.806 -3.768 8.644 1.00 0.00 H new ATOM 0 HG SER A 55 -12.986 -3.267 6.036 1.00 0.00 H new ATOM 881 N GLY A 56 -13.638 -6.248 4.854 1.00 0.00 N ATOM 882 CA GLY A 56 -13.946 -6.466 3.444 1.00 0.00 C ATOM 883 C GLY A 56 -13.253 -5.468 2.518 1.00 0.00 C ATOM 884 O GLY A 56 -13.094 -5.727 1.325 1.00 0.00 O ATOM 0 H GLY A 56 -12.884 -6.837 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.649 -7.477 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.024 -6.399 3.299 1.00 0.00 H new ATOM 888 N PHE A 57 -12.836 -4.330 3.073 1.00 0.00 N ATOM 889 CA PHE A 57 -12.100 -3.310 2.333 1.00 0.00 C ATOM 890 C PHE A 57 -11.525 -2.284 3.311 1.00 0.00 C ATOM 891 O PHE A 57 -11.911 -2.250 4.480 1.00 0.00 O ATOM 892 CB PHE A 57 -12.970 -2.621 1.256 1.00 0.00 C ATOM 893 CG PHE A 57 -14.399 -2.430 1.664 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.709 -2.293 2.992 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.418 -2.382 0.727 1.00 0.00 C ATOM 896 CE1 PHE A 57 -16.014 -2.110 3.406 1.00 0.00 C ATOM 897 CE2 PHE A 57 -16.730 -2.201 1.125 1.00 0.00 C ATOM 898 CZ PHE A 57 -17.029 -2.065 2.469 1.00 0.00 C ATOM 0 H PHE A 57 -13.000 -4.091 4.051 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.285 -3.802 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.537 -1.649 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.939 -3.215 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.919 -2.329 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.186 -2.487 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.240 -2.003 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.519 -2.166 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.052 -1.924 2.785 1.00 0.00 H new ATOM 908 N ILE A 58 -10.595 -1.462 2.855 1.00 0.00 N ATOM 909 CA ILE A 58 -10.032 -0.420 3.709 1.00 0.00 C ATOM 910 C ILE A 58 -10.577 0.914 3.271 1.00 0.00 C ATOM 911 O ILE A 58 -10.747 1.163 2.082 1.00 0.00 O ATOM 912 CB ILE A 58 -8.494 -0.386 3.698 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.929 -1.800 3.789 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.992 0.462 4.854 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.418 -1.843 3.812 1.00 0.00 C ATOM 0 H ILE A 58 -10.214 -1.491 1.909 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.325 -0.646 4.734 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.156 0.056 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.312 -2.279 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.289 -2.382 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.902 0.484 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.376 1.477 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.337 0.034 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.084 -2.879 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.027 -1.393 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.051 -1.288 4.676 1.00 0.00 H new ATOM 927 N GLU A 59 -10.814 1.779 4.232 1.00 0.00 N ATOM 928 CA GLU A 59 -11.394 3.071 3.951 1.00 0.00 C ATOM 929 C GLU A 59 -10.337 4.154 3.910 1.00 0.00 C ATOM 930 O GLU A 59 -9.623 4.401 4.878 1.00 0.00 O ATOM 931 CB GLU A 59 -12.423 3.388 5.020 1.00 0.00 C ATOM 932 CG GLU A 59 -13.823 2.897 4.688 1.00 0.00 C ATOM 933 CD GLU A 59 -13.900 1.386 4.569 1.00 0.00 C ATOM 934 OE1 GLU A 59 -13.599 0.861 3.476 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.264 0.731 5.567 1.00 0.00 O ATOM 0 H GLU A 59 -10.613 1.609 5.217 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.868 3.038 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.105 2.941 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.453 4.467 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.514 3.232 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.149 3.348 3.751 1.00 0.00 H new ATOM 942 N GLU A 60 -10.275 4.801 2.757 1.00 0.00 N ATOM 943 CA GLU A 60 -9.323 5.869 2.481 1.00 0.00 C ATOM 944 C GLU A 60 -9.066 6.746 3.701 1.00 0.00 C ATOM 945 O GLU A 60 -7.963 7.257 3.884 1.00 0.00 O ATOM 946 CB GLU A 60 -9.860 6.730 1.347 1.00 0.00 C ATOM 947 CG GLU A 60 -11.243 7.252 1.655 1.00 0.00 C ATOM 948 CD GLU A 60 -11.252 8.735 1.961 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.966 9.104 3.120 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.545 9.529 1.042 1.00 0.00 O ATOM 0 H GLU A 60 -10.894 4.597 1.973 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.375 5.407 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.184 7.567 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.887 6.146 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.898 7.056 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.652 6.707 2.506 1.00 0.00 H new ATOM 957 N ASP A 61 -10.090 6.923 4.525 1.00 0.00 N ATOM 958 CA ASP A 61 -9.965 7.751 5.714 1.00 0.00 C ATOM 959 C ASP A 61 -9.021 7.106 6.720 1.00 0.00 C ATOM 960 O ASP A 61 -8.078 7.737 7.199 1.00 0.00 O ATOM 961 CB ASP A 61 -11.339 7.973 6.350 1.00 0.00 C ATOM 962 CG ASP A 61 -12.276 8.747 5.446 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.983 8.108 4.636 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.308 9.991 5.547 1.00 0.00 O ATOM 0 H ASP A 61 -11.011 6.506 4.392 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.551 8.715 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.785 7.008 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.218 8.511 7.290 1.00 0.00 H new ATOM 969 N GLU A 62 -9.284 5.843 7.035 1.00 0.00 N ATOM 970 CA GLU A 62 -8.454 5.094 7.968 1.00 0.00 C ATOM 971 C GLU A 62 -7.225 4.541 7.249 1.00 0.00 C ATOM 972 O GLU A 62 -6.209 4.231 7.872 1.00 0.00 O ATOM 973 CB GLU A 62 -9.263 3.953 8.592 1.00 0.00 C ATOM 974 CG GLU A 62 -8.596 3.307 9.795 1.00 0.00 C ATOM 975 CD GLU A 62 -7.428 2.419 9.416 1.00 0.00 C ATOM 976 OE1 GLU A 62 -7.655 1.401 8.730 1.00 0.00 O ATOM 977 OE2 GLU A 62 -6.285 2.742 9.804 1.00 0.00 O ATOM 0 H GLU A 62 -10.070 5.315 6.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.123 5.763 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.239 4.335 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.439 3.190 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.248 4.086 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.333 2.717 10.339 1.00 0.00 H new ATOM 984 N LEU A 63 -7.330 4.428 5.926 1.00 0.00 N ATOM 985 CA LEU A 63 -6.250 3.925 5.097 1.00 0.00 C ATOM 986 C LEU A 63 -4.935 4.607 5.437 1.00 0.00 C ATOM 987 O LEU A 63 -3.920 3.949 5.672 1.00 0.00 O ATOM 988 CB LEU A 63 -6.600 4.159 3.624 1.00 0.00 C ATOM 989 CG LEU A 63 -5.799 3.344 2.600 1.00 0.00 C ATOM 990 CD1 LEU A 63 -5.434 1.967 3.143 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.598 3.208 1.317 1.00 0.00 C ATOM 0 H LEU A 63 -8.168 4.684 5.404 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.129 2.858 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.658 3.939 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.462 5.217 3.403 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.869 3.875 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.867 1.418 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.829 2.079 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.344 1.418 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.026 2.629 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.539 2.700 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.803 4.198 0.910 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.967 5.924 5.468 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.775 6.690 5.772 1.00 0.00 C ATOM 1005 C GLY A 64 -3.206 6.360 7.134 1.00 0.00 C ATOM 1006 O GLY A 64 -2.031 6.605 7.399 1.00 0.00 O ATOM 0 H GLY A 64 -5.800 6.484 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.020 6.498 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.009 7.754 5.728 1.00 0.00 H new ATOM 1010 N SER A 65 -4.040 5.803 8.002 1.00 0.00 N ATOM 1011 CA SER A 65 -3.601 5.428 9.336 1.00 0.00 C ATOM 1012 C SER A 65 -3.011 4.024 9.309 1.00 0.00 C ATOM 1013 O SER A 65 -1.853 3.811 9.671 1.00 0.00 O ATOM 1014 CB SER A 65 -4.774 5.479 10.314 1.00 0.00 C ATOM 1015 OG SER A 65 -4.356 5.161 11.630 1.00 0.00 O ATOM 0 H SER A 65 -5.021 5.602 7.806 1.00 0.00 H new ATOM 0 HA SER A 65 -2.838 6.133 9.666 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.219 6.474 10.301 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.547 4.780 9.996 1.00 0.00 H new ATOM 0 HG SER A 65 -5.125 5.202 12.236 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.822 3.073 8.862 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.400 1.684 8.773 1.00 0.00 C ATOM 1023 C ILE A 66 -2.202 1.515 7.837 1.00 0.00 C ATOM 1024 O ILE A 66 -1.536 0.479 7.855 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.551 0.778 8.298 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.153 -0.684 8.415 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.942 1.117 6.868 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.652 -1.063 9.791 1.00 0.00 C ATOM 0 H ILE A 66 -4.780 3.241 8.555 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.102 1.384 9.778 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.417 0.952 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.011 -1.307 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.377 -0.901 7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.757 0.467 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.266 2.156 6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.084 0.971 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.386 -2.120 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.774 -0.465 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.434 -0.878 10.527 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.926 2.532 7.014 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.797 2.483 6.087 1.00 0.00 C ATOM 1042 C LEU A 67 0.470 2.041 6.807 1.00 0.00 C ATOM 1043 O LEU A 67 1.353 1.405 6.217 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.596 3.862 5.456 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.907 3.948 3.962 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.178 3.254 3.161 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.274 3.350 3.652 1.00 0.00 C ATOM 0 H LEU A 67 -2.468 3.395 6.973 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.012 1.756 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.225 4.580 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.438 4.168 5.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.932 5.000 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.055 3.322 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.137 3.735 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.233 2.206 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.470 3.424 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.289 2.302 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.042 3.895 4.200 1.00 0.00 H new ATOM 1059 N LYS A 68 0.534 2.348 8.098 1.00 0.00 N ATOM 1060 CA LYS A 68 1.686 1.996 8.909 1.00 0.00 C ATOM 1061 C LYS A 68 2.054 0.526 8.742 1.00 0.00 C ATOM 1062 O LYS A 68 3.187 0.135 9.015 1.00 0.00 O ATOM 1063 CB LYS A 68 1.399 2.299 10.373 1.00 0.00 C ATOM 1064 CG LYS A 68 1.081 3.762 10.635 1.00 0.00 C ATOM 1065 CD LYS A 68 0.319 3.939 11.935 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.021 5.398 12.189 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.952 5.938 11.159 1.00 0.00 N ATOM 0 H LYS A 68 -0.202 2.841 8.603 1.00 0.00 H new ATOM 0 HA LYS A 68 2.533 2.594 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.560 1.687 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.262 2.009 10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.007 4.336 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.492 4.161 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.598 3.351 11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.915 3.554 12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.473 5.499 13.176 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.895 5.989 12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.515 6.758 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.152 5.202 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.840 6.231 11.614 1.00 0.00 H new ATOM 1081 N GLY A 69 1.094 -0.294 8.300 1.00 0.00 N ATOM 1082 CA GLY A 69 1.361 -1.712 8.088 1.00 0.00 C ATOM 1083 C GLY A 69 2.715 -1.950 7.444 1.00 0.00 C ATOM 1084 O GLY A 69 3.540 -2.696 7.971 1.00 0.00 O ATOM 0 H GLY A 69 0.140 -0.002 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.318 -2.235 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.580 -2.137 7.457 1.00 0.00 H new ATOM 1088 N PHE A 70 2.941 -1.310 6.300 1.00 0.00 N ATOM 1089 CA PHE A 70 4.213 -1.428 5.603 1.00 0.00 C ATOM 1090 C PHE A 70 5.097 -0.227 5.942 1.00 0.00 C ATOM 1091 O PHE A 70 6.289 -0.366 6.217 1.00 0.00 O ATOM 1092 CB PHE A 70 4.022 -1.532 4.081 1.00 0.00 C ATOM 1093 CG PHE A 70 2.782 -0.876 3.541 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.533 -1.440 3.750 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.871 0.292 2.800 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.395 -0.848 3.236 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.738 0.887 2.278 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.498 0.318 2.498 1.00 0.00 C ATOM 0 H PHE A 70 2.260 -0.706 5.839 1.00 0.00 H new ATOM 0 HA PHE A 70 4.696 -2.347 5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.889 -1.089 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.004 -2.586 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.448 -2.353 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.837 0.743 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.573 -1.295 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.822 1.795 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.389 0.783 2.094 1.00 0.00 H new ATOM 1108 N SER A 71 4.462 0.945 5.960 1.00 0.00 N ATOM 1109 CA SER A 71 5.112 2.232 6.230 1.00 0.00 C ATOM 1110 C SER A 71 5.501 2.428 7.695 1.00 0.00 C ATOM 1111 O SER A 71 5.954 3.506 8.063 1.00 0.00 O ATOM 1112 CB SER A 71 4.218 3.387 5.781 1.00 0.00 C ATOM 1113 OG SER A 71 2.907 3.253 6.294 1.00 0.00 O ATOM 0 H SER A 71 3.461 1.030 5.784 1.00 0.00 H new ATOM 0 HA SER A 71 6.038 2.224 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.646 4.332 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.183 3.420 4.692 1.00 0.00 H new ATOM 0 HG SER A 71 2.391 2.650 5.719 1.00 0.00 H new ATOM 1119 N SER A 72 5.303 1.420 8.541 1.00 0.00 N ATOM 1120 CA SER A 72 5.620 1.554 9.967 1.00 0.00 C ATOM 1121 C SER A 72 6.967 2.254 10.189 1.00 0.00 C ATOM 1122 O SER A 72 7.187 2.859 11.238 1.00 0.00 O ATOM 1123 CB SER A 72 5.643 0.177 10.634 1.00 0.00 C ATOM 1124 OG SER A 72 6.004 0.277 12.001 1.00 0.00 O ATOM 0 H SER A 72 4.929 0.510 8.272 1.00 0.00 H new ATOM 0 HA SER A 72 4.841 2.169 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.661 -0.289 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.350 -0.470 10.115 1.00 0.00 H new ATOM 0 HG SER A 72 6.010 -0.616 12.404 1.00 0.00 H new ATOM 1130 N ASP A 73 7.863 2.175 9.207 1.00 0.00 N ATOM 1131 CA ASP A 73 9.153 2.851 9.310 1.00 0.00 C ATOM 1132 C ASP A 73 9.200 4.055 8.365 1.00 0.00 C ATOM 1133 O ASP A 73 10.212 4.320 7.719 1.00 0.00 O ATOM 1134 CB ASP A 73 10.306 1.890 9.020 1.00 0.00 C ATOM 1135 CG ASP A 73 9.975 0.876 7.945 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.104 0.016 8.189 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.589 0.939 6.859 1.00 0.00 O ATOM 0 H ASP A 73 7.722 1.656 8.341 1.00 0.00 H new ATOM 0 HA ASP A 73 9.268 3.207 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.181 2.463 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.573 1.365 9.937 1.00 0.00 H new ATOM 1142 N ALA A 74 8.078 4.775 8.303 1.00 0.00 N ATOM 1143 CA ALA A 74 7.940 5.959 7.455 1.00 0.00 C ATOM 1144 C ALA A 74 6.816 6.858 7.987 1.00 0.00 C ATOM 1145 O ALA A 74 6.622 6.945 9.201 1.00 0.00 O ATOM 1146 CB ALA A 74 7.677 5.545 6.012 1.00 0.00 C ATOM 0 H ALA A 74 7.240 4.553 8.840 1.00 0.00 H new ATOM 0 HA ALA A 74 8.870 6.527 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.576 6.435 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.509 4.942 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.757 4.962 5.963 1.00 0.00 H new ATOM 1152 N ARG A 75 6.073 7.527 7.098 1.00 0.00 N ATOM 1153 CA ARG A 75 4.988 8.398 7.533 1.00 0.00 C ATOM 1154 C ARG A 75 3.621 7.778 7.236 1.00 0.00 C ATOM 1155 O ARG A 75 3.113 6.997 8.038 1.00 0.00 O ATOM 1156 CB ARG A 75 5.111 9.779 6.883 1.00 0.00 C ATOM 1157 CG ARG A 75 6.342 10.550 7.330 1.00 0.00 C ATOM 1158 CD ARG A 75 6.390 11.934 6.704 1.00 0.00 C ATOM 1159 NE ARG A 75 5.219 12.733 7.055 1.00 0.00 N ATOM 1160 CZ ARG A 75 4.907 13.881 6.463 1.00 0.00 C ATOM 1161 NH1 ARG A 75 5.676 14.361 5.495 1.00 0.00 N ATOM 1162 NH2 ARG A 75 3.822 14.548 6.834 1.00 0.00 N ATOM 0 H ARG A 75 6.204 7.480 6.088 1.00 0.00 H new ATOM 0 HA ARG A 75 5.069 8.517 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.139 9.661 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.221 10.363 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.341 10.641 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.239 9.995 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.293 12.450 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.453 11.840 5.620 1.00 0.00 H new ATOM 0 HE ARG A 75 4.607 12.391 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.509 13.849 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.435 15.242 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.225 14.180 7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.584 15.429 6.378 1.00 0.00 H new ATOM 1176 N ASP A 76 3.032 8.115 6.082 1.00 0.00 N ATOM 1177 CA ASP A 76 1.716 7.586 5.713 1.00 0.00 C ATOM 1178 C ASP A 76 1.148 8.316 4.495 1.00 0.00 C ATOM 1179 O ASP A 76 1.726 9.290 4.011 1.00 0.00 O ATOM 1180 CB ASP A 76 0.737 7.726 6.881 1.00 0.00 C ATOM 1181 CG ASP A 76 0.750 9.117 7.482 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.571 9.366 8.390 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -0.063 9.959 7.046 1.00 0.00 O ATOM 0 H ASP A 76 3.443 8.746 5.394 1.00 0.00 H new ATOM 0 HA ASP A 76 1.844 6.532 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.270 7.491 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.989 6.998 7.652 1.00 0.00 H new ATOM 1188 N LEU A 77 0.008 7.831 4.010 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.673 8.429 2.866 1.00 0.00 C ATOM 1190 C LEU A 77 -1.180 9.826 3.213 1.00 0.00 C ATOM 1191 O LEU A 77 -2.028 9.984 4.092 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.851 7.551 2.456 1.00 0.00 C ATOM 1193 CG LEU A 77 -1.592 6.628 1.271 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -0.312 5.833 1.473 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -2.778 5.706 1.072 1.00 0.00 C ATOM 0 H LEU A 77 -0.468 7.016 4.397 1.00 0.00 H new ATOM 0 HA LEU A 77 0.036 8.507 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.145 6.943 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.697 8.195 2.216 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.465 7.234 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.149 5.182 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.530 6.518 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.398 5.228 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.589 5.048 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.928 5.107 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.672 6.299 0.879 1.00 0.00 H new ATOM 1207 N SER A 78 -0.661 10.836 2.526 1.00 0.00 N ATOM 1208 CA SER A 78 -1.082 12.210 2.770 1.00 0.00 C ATOM 1209 C SER A 78 -2.228 12.584 1.840 1.00 0.00 C ATOM 1210 O SER A 78 -2.734 11.742 1.098 1.00 0.00 O ATOM 1211 CB SER A 78 0.091 13.172 2.571 1.00 0.00 C ATOM 1212 OG SER A 78 -0.304 14.512 2.803 1.00 0.00 O ATOM 0 H SER A 78 0.048 10.731 1.800 1.00 0.00 H new ATOM 0 HA SER A 78 -1.426 12.287 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.902 12.906 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.478 13.074 1.557 1.00 0.00 H new ATOM 0 HG SER A 78 -0.763 14.573 3.667 1.00 0.00 H new ATOM 1218 N ALA A 79 -2.640 13.849 1.879 1.00 0.00 N ATOM 1219 CA ALA A 79 -3.724 14.324 1.022 1.00 0.00 C ATOM 1220 C ALA A 79 -3.504 13.875 -0.416 1.00 0.00 C ATOM 1221 O ALA A 79 -4.395 13.314 -1.056 1.00 0.00 O ATOM 1222 CB ALA A 79 -3.805 15.839 1.083 1.00 0.00 C ATOM 0 H ALA A 79 -2.242 14.561 2.492 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.662 13.899 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.615 16.186 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.995 16.152 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.863 16.268 0.741 1.00 0.00 H new ATOM 1228 N LYS A 80 -2.301 14.134 -0.912 1.00 0.00 N ATOM 1229 CA LYS A 80 -1.926 13.762 -2.268 1.00 0.00 C ATOM 1230 C LYS A 80 -2.161 12.274 -2.523 1.00 0.00 C ATOM 1231 O LYS A 80 -2.779 11.895 -3.515 1.00 0.00 O ATOM 1232 CB LYS A 80 -0.451 14.093 -2.507 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.176 15.578 -2.674 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.759 16.110 -3.975 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.390 17.568 -4.198 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.925 18.084 -5.487 1.00 0.00 N ATOM 0 H LYS A 80 -1.563 14.605 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.551 14.330 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.137 13.716 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.110 13.567 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.602 16.125 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.900 15.754 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.396 15.510 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.844 16.007 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.778 18.171 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.695 17.674 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.652 19.081 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.535 17.525 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.962 18.007 -5.488 1.00 0.00 H new ATOM 1250 N GLU A 81 -1.673 11.438 -1.613 1.00 0.00 N ATOM 1251 CA GLU A 81 -1.804 9.994 -1.747 1.00 0.00 C ATOM 1252 C GLU A 81 -3.237 9.543 -1.514 1.00 0.00 C ATOM 1253 O GLU A 81 -3.674 8.546 -2.080 1.00 0.00 O ATOM 1254 CB GLU A 81 -0.884 9.302 -0.746 1.00 0.00 C ATOM 1255 CG GLU A 81 0.473 9.975 -0.603 1.00 0.00 C ATOM 1256 CD GLU A 81 1.462 9.137 0.184 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.894 8.086 -0.334 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.804 9.532 1.320 1.00 0.00 O ATOM 0 H GLU A 81 -1.181 11.739 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.522 9.722 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.373 9.277 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.737 8.267 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.881 10.176 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.346 10.939 -0.110 1.00 0.00 H new ATOM 1265 N THR A 82 -3.969 10.248 -0.667 1.00 0.00 N ATOM 1266 CA THR A 82 -5.350 9.868 -0.425 1.00 0.00 C ATOM 1267 C THR A 82 -6.105 9.923 -1.744 1.00 0.00 C ATOM 1268 O THR A 82 -6.780 8.969 -2.142 1.00 0.00 O ATOM 1269 CB THR A 82 -6.023 10.801 0.601 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.386 10.664 1.876 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.510 10.498 0.736 1.00 0.00 C ATOM 0 H THR A 82 -3.642 11.064 -0.149 1.00 0.00 H new ATOM 0 HA THR A 82 -5.370 8.859 -0.013 1.00 0.00 H new ATOM 0 HB THR A 82 -5.915 11.825 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.461 10.981 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.954 11.174 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.998 10.635 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.643 9.468 1.066 1.00 0.00 H new ATOM 1279 N LYS A 83 -5.960 11.051 -2.419 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.572 11.258 -3.716 1.00 0.00 C ATOM 1281 C LYS A 83 -5.811 10.509 -4.809 1.00 0.00 C ATOM 1282 O LYS A 83 -6.395 10.104 -5.812 1.00 0.00 O ATOM 1283 CB LYS A 83 -6.628 12.750 -4.049 1.00 0.00 C ATOM 1284 CG LYS A 83 -7.593 13.542 -3.181 1.00 0.00 C ATOM 1285 CD LYS A 83 -8.983 13.603 -3.796 1.00 0.00 C ATOM 1286 CE LYS A 83 -9.551 12.215 -4.039 1.00 0.00 C ATOM 1287 NZ LYS A 83 -10.955 12.268 -4.531 1.00 0.00 N ATOM 0 H LYS A 83 -5.416 11.845 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.588 10.865 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.629 13.173 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.915 12.868 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.652 13.086 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.212 14.554 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.649 14.158 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.940 14.149 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.931 11.691 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.512 11.640 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.306 11.301 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.552 12.745 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.989 12.795 -5.427 1.00 0.00 H new ATOM 1301 N THR A 84 -4.497 10.338 -4.619 1.00 0.00 N ATOM 1302 CA THR A 84 -3.673 9.689 -5.629 1.00 0.00 C ATOM 1303 C THR A 84 -3.601 8.171 -5.489 1.00 0.00 C ATOM 1304 O THR A 84 -3.993 7.441 -6.398 1.00 0.00 O ATOM 1305 CB THR A 84 -2.239 10.259 -5.614 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.271 11.670 -5.864 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.360 9.583 -6.660 1.00 0.00 C ATOM 0 H THR A 84 -3.993 10.638 -3.785 1.00 0.00 H new ATOM 0 HA THR A 84 -4.163 9.903 -6.579 1.00 0.00 H new ATOM 0 HB THR A 84 -1.815 10.065 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.140 12.154 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.357 10.008 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.309 8.514 -6.456 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.785 9.743 -7.651 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.139 7.696 -4.341 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.974 6.257 -4.143 1.00 0.00 C ATOM 1317 C LEU A 85 -4.268 5.531 -3.797 1.00 0.00 C ATOM 1318 O LEU A 85 -4.595 4.523 -4.423 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.934 5.967 -3.069 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.343 4.560 -3.141 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.153 4.533 -4.085 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.949 4.065 -1.762 1.00 0.00 C ATOM 0 H LEU A 85 -2.875 8.273 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.637 5.873 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.126 6.694 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.389 6.109 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.107 3.888 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.257 3.524 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.473 4.835 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.612 5.221 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.531 3.061 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.204 4.736 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.829 4.042 -1.119 1.00 0.00 H new ATOM 1334 N MET A 86 -5.011 6.024 -2.811 1.00 0.00 N ATOM 1335 CA MET A 86 -6.249 5.343 -2.428 1.00 0.00 C ATOM 1336 C MET A 86 -7.252 5.369 -3.569 1.00 0.00 C ATOM 1337 O MET A 86 -7.758 4.326 -3.985 1.00 0.00 O ATOM 1338 CB MET A 86 -6.883 5.967 -1.181 1.00 0.00 C ATOM 1339 CG MET A 86 -5.878 6.331 -0.099 1.00 0.00 C ATOM 1340 SD MET A 86 -6.643 7.094 1.343 1.00 0.00 S ATOM 1341 CE MET A 86 -5.201 7.497 2.325 1.00 0.00 C ATOM 0 H MET A 86 -4.791 6.864 -2.276 1.00 0.00 H new ATOM 0 HA MET A 86 -5.984 4.311 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.430 6.864 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.612 5.270 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.345 5.432 0.212 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.136 7.014 -0.514 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.487 8.173 3.131 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.783 6.584 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.454 7.979 1.694 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.509 6.559 -4.095 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.460 6.715 -5.185 1.00 0.00 C ATOM 1353 C ALA A 87 -8.014 5.955 -6.435 1.00 0.00 C ATOM 1354 O ALA A 87 -8.837 5.331 -7.105 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.679 8.189 -5.481 1.00 0.00 C ATOM 0 H ALA A 87 -7.073 7.428 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.410 6.281 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.392 8.294 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.070 8.684 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.732 8.648 -5.765 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.718 5.999 -6.756 1.00 0.00 N ATOM 1362 CA ALA A 88 -6.217 5.281 -7.917 1.00 0.00 C ATOM 1363 C ALA A 88 -6.253 3.788 -7.641 1.00 0.00 C ATOM 1364 O ALA A 88 -6.735 3.003 -8.453 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.804 5.727 -8.261 1.00 0.00 C ATOM 0 H ALA A 88 -6.011 6.517 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.854 5.504 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.451 5.176 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.803 6.794 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.144 5.530 -7.416 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.748 3.403 -6.474 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.742 2.005 -6.087 1.00 0.00 C ATOM 1373 C GLY A 89 -7.090 1.345 -6.322 1.00 0.00 C ATOM 1374 O GLY A 89 -7.172 0.179 -6.704 1.00 0.00 O ATOM 0 H GLY A 89 -5.341 4.037 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.975 1.475 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.476 1.921 -5.033 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.146 2.112 -6.103 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.511 1.628 -6.266 1.00 0.00 C ATOM 1380 C ASP A 90 -10.098 1.964 -7.635 1.00 0.00 C ATOM 1381 O ASP A 90 -11.256 2.346 -7.721 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.412 2.170 -5.162 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.531 3.678 -5.190 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.017 4.219 -6.206 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -10.144 4.318 -4.194 1.00 0.00 O ATOM 0 H ASP A 90 -8.083 3.086 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.465 0.541 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.404 1.730 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.020 1.859 -4.194 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.289 1.886 -8.695 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.761 2.180 -10.062 1.00 0.00 C ATOM 1392 C LYS A 91 -11.221 1.756 -10.283 1.00 0.00 C ATOM 1393 O LYS A 91 -11.950 2.388 -11.044 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.871 1.478 -11.101 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.436 1.990 -11.152 1.00 0.00 C ATOM 1396 CD LYS A 91 -7.382 3.496 -11.036 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.109 4.173 -12.186 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.113 5.655 -12.045 1.00 0.00 N ATOM 0 H LYS A 91 -8.305 1.623 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.701 3.261 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.855 0.410 -10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.321 1.597 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.859 1.541 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.970 1.679 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.828 3.805 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.342 3.823 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.633 3.899 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.136 3.810 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.618 6.079 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.590 5.918 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.134 6.005 -12.028 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.632 0.685 -9.612 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.003 0.185 -9.729 1.00 0.00 C ATOM 1414 C ASP A 92 -13.736 0.257 -8.388 1.00 0.00 C ATOM 1415 O ASP A 92 -14.518 -0.629 -8.047 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.998 -1.257 -10.243 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.252 -2.199 -9.317 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -11.006 -2.231 -9.383 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.915 -2.903 -8.527 1.00 0.00 O ATOM 0 H ASP A 92 -11.039 0.145 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.531 0.820 -10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.025 -1.603 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.540 -1.286 -11.232 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.474 1.320 -7.634 1.00 0.00 N ATOM 1425 CA GLY A 93 -14.090 1.499 -6.340 1.00 0.00 C ATOM 1426 C GLY A 93 -14.682 2.884 -6.152 1.00 0.00 C ATOM 1427 O GLY A 93 -14.847 3.634 -7.113 1.00 0.00 O ATOM 0 H GLY A 93 -12.836 2.068 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.875 0.754 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.348 1.318 -5.562 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.992 3.219 -4.902 1.00 0.00 N ATOM 1432 CA ASP A 94 -15.570 4.519 -4.565 1.00 0.00 C ATOM 1433 C ASP A 94 -14.601 5.357 -3.727 1.00 0.00 C ATOM 1434 O ASP A 94 -15.011 6.309 -3.063 1.00 0.00 O ATOM 1435 CB ASP A 94 -16.882 4.328 -3.800 1.00 0.00 C ATOM 1436 CG ASP A 94 -18.005 3.836 -4.691 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -18.136 2.604 -4.855 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -18.754 4.681 -5.224 1.00 0.00 O ATOM 0 H ASP A 94 -14.852 2.604 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.765 5.051 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -16.726 3.616 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -17.173 5.273 -3.342 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.320 4.998 -3.760 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.325 5.719 -2.986 1.00 0.00 C ATOM 1445 C GLY A 95 -11.901 4.939 -1.761 1.00 0.00 C ATOM 1446 O GLY A 95 -11.740 5.499 -0.679 1.00 0.00 O ATOM 0 H GLY A 95 -12.954 4.220 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.454 5.920 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.729 6.684 -2.682 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.719 3.639 -1.939 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.331 2.762 -0.841 1.00 0.00 C ATOM 1452 C LYS A 96 -10.523 1.583 -1.355 1.00 0.00 C ATOM 1453 O LYS A 96 -10.829 1.017 -2.403 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.589 2.261 -0.124 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.595 3.372 0.119 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.846 2.877 0.817 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.845 4.007 0.995 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.311 4.543 -0.314 1.00 0.00 N ATOM 0 H LYS A 96 -11.834 3.166 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.710 3.323 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.055 1.476 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.307 1.814 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.131 4.153 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.869 3.825 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.298 2.073 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.585 2.460 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.701 3.649 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.388 4.809 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.953 5.511 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.956 3.939 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.351 4.553 -0.335 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.503 1.197 -0.602 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.667 0.075 -0.991 1.00 0.00 C ATOM 1474 C ILE A 97 -8.953 -1.134 -0.114 1.00 0.00 C ATOM 1475 O ILE A 97 -8.659 -1.134 1.077 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.158 0.426 -0.918 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.813 1.500 -1.950 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.295 -0.815 -1.135 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.327 1.760 -2.081 1.00 0.00 C ATOM 0 H ILE A 97 -9.237 1.642 0.276 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.910 -0.162 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.948 0.814 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.208 1.199 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.313 2.429 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.242 -0.540 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.519 -1.553 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.507 -1.239 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.158 2.533 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.930 2.091 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.823 0.843 -2.385 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.531 -2.158 -0.713 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.819 -3.363 0.023 1.00 0.00 C ATOM 1493 C GLY A 98 -8.921 -4.500 -0.421 1.00 0.00 C ATOM 1494 O GLY A 98 -7.820 -4.264 -0.918 1.00 0.00 O ATOM 0 H GLY A 98 -9.806 -2.176 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.683 -3.183 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.863 -3.641 -0.123 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.374 -5.734 -0.246 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.578 -6.889 -0.641 1.00 0.00 C ATOM 1500 C VAL A 99 -8.443 -6.985 -2.160 1.00 0.00 C ATOM 1501 O VAL A 99 -7.360 -7.254 -2.681 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.188 -8.200 -0.107 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.532 -8.474 -0.765 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.233 -9.362 -0.329 1.00 0.00 C ATOM 0 H VAL A 99 -10.280 -5.961 0.163 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.589 -6.749 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.351 -8.091 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.946 -9.404 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.217 -7.654 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.398 -8.561 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.680 -10.279 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.036 -9.472 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.297 -9.169 0.195 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.549 -6.762 -2.865 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.566 -6.844 -4.323 1.00 0.00 C ATOM 1516 C GLU A 100 -8.838 -5.677 -4.985 1.00 0.00 C ATOM 1517 O GLU A 100 -7.967 -5.878 -5.830 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.004 -6.902 -4.825 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.805 -5.681 -4.456 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.289 -5.850 -4.720 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -13.720 -5.599 -5.865 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -14.018 -6.233 -3.782 1.00 0.00 O ATOM 0 H GLU A 100 -10.449 -6.522 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.036 -7.756 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.000 -7.014 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.491 -7.787 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.652 -5.457 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.435 -4.825 -5.021 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.201 -4.459 -4.597 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.613 -3.264 -5.167 1.00 0.00 C ATOM 1531 C GLU A 101 -7.095 -3.236 -4.991 1.00 0.00 C ATOM 1532 O GLU A 101 -6.373 -2.725 -5.849 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.263 -2.047 -4.524 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.438 -1.499 -5.315 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.621 -2.445 -5.342 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.369 -2.489 -4.343 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.801 -3.142 -6.362 1.00 0.00 O ATOM 0 H GLU A 101 -9.907 -4.279 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.798 -3.256 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.602 -2.312 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.515 -1.263 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.749 -0.548 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.118 -1.295 -6.337 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.613 -3.789 -3.884 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.178 -3.828 -3.619 1.00 0.00 C ATOM 1546 C PHE A 102 -4.437 -4.438 -4.805 1.00 0.00 C ATOM 1547 O PHE A 102 -3.234 -4.230 -4.976 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.874 -4.610 -2.341 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.650 -4.121 -1.630 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.707 -3.029 -0.778 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.442 -4.750 -1.822 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.572 -2.579 -0.132 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.300 -4.308 -1.182 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.365 -3.219 -0.334 1.00 0.00 C ATOM 0 H PHE A 102 -7.190 -4.215 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.832 -2.804 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.729 -4.542 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.746 -5.664 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.649 -2.525 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.385 -5.602 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.628 -1.728 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.359 -4.812 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.475 -2.870 0.169 1.00 0.00 H new ATOM 1564 N SER A 103 -5.144 -5.233 -5.598 1.00 0.00 N ATOM 1565 CA SER A 103 -4.549 -5.838 -6.780 1.00 0.00 C ATOM 1566 C SER A 103 -4.395 -4.780 -7.868 1.00 0.00 C ATOM 1567 O SER A 103 -3.395 -4.745 -8.585 1.00 0.00 O ATOM 1568 CB SER A 103 -5.412 -6.994 -7.284 1.00 0.00 C ATOM 1569 OG SER A 103 -4.841 -7.597 -8.432 1.00 0.00 O ATOM 0 H SER A 103 -6.124 -5.472 -5.445 1.00 0.00 H new ATOM 0 HA SER A 103 -3.568 -6.235 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.523 -7.739 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.411 -6.629 -7.521 1.00 0.00 H new ATOM 0 HG SER A 103 -5.412 -8.334 -8.733 1.00 0.00 H new ATOM 1575 N THR A 104 -5.396 -3.909 -7.967 1.00 0.00 N ATOM 1576 CA THR A 104 -5.395 -2.834 -8.953 1.00 0.00 C ATOM 1577 C THR A 104 -4.216 -1.889 -8.728 1.00 0.00 C ATOM 1578 O THR A 104 -3.553 -1.477 -9.680 1.00 0.00 O ATOM 1579 CB THR A 104 -6.709 -2.026 -8.895 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.826 -2.895 -9.120 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.721 -0.906 -9.929 1.00 0.00 C ATOM 0 H THR A 104 -6.224 -3.928 -7.371 1.00 0.00 H new ATOM 0 HA THR A 104 -5.304 -3.296 -9.936 1.00 0.00 H new ATOM 0 HB THR A 104 -6.782 -1.578 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.657 -2.377 -9.080 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.660 -0.358 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.890 -0.227 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.621 -1.332 -10.928 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.958 -1.549 -7.466 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.849 -0.648 -7.139 1.00 0.00 C ATOM 1591 C LEU A 105 -1.528 -1.221 -7.635 1.00 0.00 C ATOM 1592 O LEU A 105 -0.568 -0.482 -7.858 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.749 -0.335 -5.628 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.638 -1.138 -4.689 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -3.078 -1.100 -3.276 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -5.055 -0.587 -4.705 1.00 0.00 C ATOM 0 H LEU A 105 -4.492 -1.877 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.058 0.292 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.714 -0.482 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.976 0.722 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.661 -2.173 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.722 -1.678 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.075 -1.527 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.034 -0.067 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.680 -1.171 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.044 0.454 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.458 -0.649 -5.716 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.474 -2.538 -7.807 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.262 -3.184 -8.289 1.00 0.00 C ATOM 1610 C VAL A 106 -0.084 -2.924 -9.780 1.00 0.00 C ATOM 1611 O VAL A 106 1.036 -2.787 -10.269 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.275 -4.700 -8.033 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.015 -5.331 -8.532 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.480 -4.990 -6.553 1.00 0.00 C ATOM 0 H VAL A 106 -2.250 -3.173 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 106 0.573 -2.756 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.107 -5.138 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.991 -6.404 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.117 -5.152 -9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.863 -4.889 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.486 -6.068 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.331 -4.542 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.431 -4.569 -6.228 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.202 -2.865 -10.498 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.178 -2.602 -11.930 1.00 0.00 C ATOM 1626 C ALA A 107 -1.025 -1.110 -12.196 1.00 0.00 C ATOM 1627 O ALA A 107 -0.504 -0.700 -13.233 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.442 -3.137 -12.589 1.00 0.00 C ATOM 0 H ALA A 107 -2.136 -2.996 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.320 -3.117 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.409 -2.933 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.509 -4.213 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.314 -2.649 -12.153 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.488 -0.299 -11.247 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.401 1.151 -11.369 1.00 0.00 C ATOM 1636 C GLU A 108 0.050 1.601 -11.394 1.00 0.00 C ATOM 1637 O GLU A 108 0.550 2.091 -12.406 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.123 1.826 -10.207 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.626 1.683 -10.297 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.318 1.839 -8.963 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -3.880 2.687 -8.159 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -5.295 1.099 -8.722 1.00 0.00 O ATOM 0 H GLU A 108 -1.927 -0.623 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.878 1.440 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.776 1.395 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.863 2.884 -10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.015 2.429 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.868 0.705 -10.712 1.00 0.00 H new ATOM 1649 N SER A 109 0.717 1.426 -10.261 1.00 0.00 N ATOM 1650 CA SER A 109 2.106 1.801 -10.117 1.00 0.00 C ATOM 1651 C SER A 109 2.998 0.985 -11.048 1.00 0.00 C ATOM 1652 O SER A 109 3.455 -0.099 -10.627 1.00 0.00 O ATOM 1653 CB SER A 109 2.524 1.594 -8.668 1.00 0.00 C ATOM 1654 OG SER A 109 1.511 0.934 -7.929 1.00 0.00 O ATOM 1655 OXT SER A 109 3.229 1.435 -12.190 1.00 0.00 O ATOM 0 H SER A 109 0.306 1.020 -9.420 1.00 0.00 H new ATOM 0 HA SER A 109 2.220 2.850 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.443 1.009 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.742 2.558 -8.209 1.00 0.00 H new ATOM 0 HG SER A 109 1.920 0.277 -7.328 1.00 0.00 H new