USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 31:sc= 0.411 USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.0521 (180deg=-0.269) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -58:sc= 0.635 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 150:sc= 1.88 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.797 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0496) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0498 (180deg=-0.25) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.012 USER MOD Single : A 50 TYR OH : rot 160:sc= 0.436 USER MOD Single : A 54 SER OG : rot -114:sc= 0.112 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.725 0.912 1.254 1.00 0.00 N ATOM 19 CA SER A 3 8.679 1.875 1.792 1.00 0.00 C ATOM 20 C SER A 3 9.329 1.342 3.065 1.00 0.00 C ATOM 21 O SER A 3 8.847 1.584 4.171 1.00 0.00 O ATOM 22 CB SER A 3 7.983 3.207 2.080 1.00 0.00 C ATOM 23 OG SER A 3 7.031 3.513 1.076 1.00 0.00 O ATOM 0 HA SER A 3 9.458 2.034 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.490 3.161 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.725 4.004 2.137 1.00 0.00 H new ATOM 0 HG SER A 3 6.663 2.682 0.710 1.00 0.00 H new ATOM 29 N LYS A 4 10.429 0.614 2.900 1.00 0.00 N ATOM 30 CA LYS A 4 11.149 0.047 4.033 1.00 0.00 C ATOM 31 C LYS A 4 12.574 -0.329 3.640 1.00 0.00 C ATOM 32 O LYS A 4 12.964 -0.196 2.479 1.00 0.00 O ATOM 33 CB LYS A 4 10.413 -1.186 4.566 1.00 0.00 C ATOM 34 CG LYS A 4 10.530 -1.361 6.070 1.00 0.00 C ATOM 35 CD LYS A 4 11.330 -2.602 6.426 1.00 0.00 C ATOM 36 CE LYS A 4 10.423 -3.748 6.849 1.00 0.00 C ATOM 37 NZ LYS A 4 9.739 -3.466 8.141 1.00 0.00 N ATOM 0 H LYS A 4 10.841 0.403 1.991 1.00 0.00 H new ATOM 0 HA LYS A 4 11.195 0.803 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.359 -1.114 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.807 -2.075 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.008 -0.482 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.534 -1.431 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.929 -2.908 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.024 -2.369 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.677 -3.926 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.011 -4.661 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.488 -4.363 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.375 -2.923 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.875 -2.915 7.963 1.00 0.00 H new ATOM 51 N LEU A 5 13.346 -0.800 4.613 1.00 0.00 N ATOM 52 CA LEU A 5 14.728 -1.197 4.368 1.00 0.00 C ATOM 53 C LEU A 5 14.875 -2.714 4.412 1.00 0.00 C ATOM 54 O LEU A 5 14.306 -3.379 5.279 1.00 0.00 O ATOM 55 CB LEU A 5 15.655 -0.553 5.400 1.00 0.00 C ATOM 56 CG LEU A 5 16.718 0.398 4.848 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.441 1.825 5.294 1.00 0.00 C ATOM 58 CD2 LEU A 5 18.107 -0.041 5.289 1.00 0.00 C ATOM 0 H LEU A 5 13.039 -0.916 5.579 1.00 0.00 H new ATOM 0 HA LEU A 5 15.008 -0.852 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.043 -0.005 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.158 -1.347 5.952 1.00 0.00 H new ATOM 0 HG LEU A 5 16.677 0.365 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.208 2.487 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.463 2.137 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.454 1.875 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.851 0.647 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.161 -0.038 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.305 -1.047 4.918 1.00 0.00 H new ATOM 70 N CYS A 6 15.644 -3.257 3.474 1.00 0.00 N ATOM 71 CA CYS A 6 15.868 -4.696 3.406 1.00 0.00 C ATOM 72 C CYS A 6 17.351 -5.023 3.555 1.00 0.00 C ATOM 73 O CYS A 6 18.204 -4.370 2.955 1.00 0.00 O ATOM 74 CB CYS A 6 15.342 -5.253 2.082 1.00 0.00 C ATOM 75 SG CYS A 6 13.528 -5.202 1.921 1.00 0.00 S ATOM 0 H CYS A 6 16.123 -2.721 2.750 1.00 0.00 H new ATOM 0 HA CYS A 6 15.327 -5.162 4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.785 -4.689 1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.676 -6.285 1.976 1.00 0.00 H new ATOM 80 N GLU A 7 17.649 -6.039 4.359 1.00 0.00 N ATOM 81 CA GLU A 7 19.029 -6.452 4.587 1.00 0.00 C ATOM 82 C GLU A 7 19.227 -7.918 4.213 1.00 0.00 C ATOM 83 O GLU A 7 18.369 -8.760 4.480 1.00 0.00 O ATOM 84 CB GLU A 7 19.416 -6.231 6.051 1.00 0.00 C ATOM 85 CG GLU A 7 18.555 -7.009 7.032 1.00 0.00 C ATOM 86 CD GLU A 7 19.136 -7.025 8.433 1.00 0.00 C ATOM 87 OE1 GLU A 7 20.372 -6.903 8.565 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.354 -7.159 9.397 1.00 0.00 O ATOM 0 H GLU A 7 16.954 -6.591 4.863 1.00 0.00 H new ATOM 0 HA GLU A 7 19.673 -5.843 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.459 -6.517 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.344 -5.168 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.558 -6.570 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.442 -8.034 6.678 1.00 0.00 H new ATOM 95 N LYS A 8 20.364 -8.216 3.594 1.00 0.00 N ATOM 96 CA LYS A 8 20.677 -9.580 3.183 1.00 0.00 C ATOM 97 C LYS A 8 21.694 -10.213 4.127 1.00 0.00 C ATOM 98 O LYS A 8 22.539 -9.523 4.700 1.00 0.00 O ATOM 99 CB LYS A 8 21.218 -9.591 1.751 1.00 0.00 C ATOM 100 CG LYS A 8 20.155 -9.862 0.701 1.00 0.00 C ATOM 101 CD LYS A 8 19.406 -8.594 0.325 1.00 0.00 C ATOM 102 CE LYS A 8 18.226 -8.893 -0.587 1.00 0.00 C ATOM 103 NZ LYS A 8 17.101 -7.943 -0.367 1.00 0.00 N ATOM 0 H LYS A 8 21.085 -7.531 3.366 1.00 0.00 H new ATOM 0 HA LYS A 8 19.758 -10.165 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.687 -8.630 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.997 -10.350 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.621 -10.288 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.451 -10.603 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.052 -8.098 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.086 -7.903 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.548 -8.840 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.881 -9.912 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.316 -8.180 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.777 -8.011 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.423 -6.973 -0.559 1.00 0.00 H new ATOM 117 N THR A 9 21.609 -11.530 4.285 1.00 0.00 N ATOM 118 CA THR A 9 22.522 -12.256 5.159 1.00 0.00 C ATOM 119 C THR A 9 23.299 -13.315 4.385 1.00 0.00 C ATOM 120 O THR A 9 23.181 -14.509 4.660 1.00 0.00 O ATOM 121 CB THR A 9 21.769 -12.933 6.319 1.00 0.00 C ATOM 122 OG1 THR A 9 20.638 -12.141 6.698 1.00 0.00 O ATOM 123 CG2 THR A 9 22.684 -13.126 7.519 1.00 0.00 C ATOM 0 H THR A 9 20.917 -12.116 3.819 1.00 0.00 H new ATOM 0 HA THR A 9 23.219 -11.524 5.566 1.00 0.00 H new ATOM 0 HB THR A 9 21.429 -13.912 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.164 -12.580 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.130 -13.606 8.326 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.529 -13.754 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.050 -12.157 7.857 1.00 0.00 H new ATOM 131 N SER A 10 24.094 -12.870 3.417 1.00 0.00 N ATOM 132 CA SER A 10 24.888 -13.780 2.601 1.00 0.00 C ATOM 133 C SER A 10 23.989 -14.688 1.768 1.00 0.00 C ATOM 134 O SER A 10 24.399 -15.768 1.343 1.00 0.00 O ATOM 135 CB SER A 10 25.804 -14.626 3.488 1.00 0.00 C ATOM 136 OG SER A 10 25.263 -15.919 3.693 1.00 0.00 O ATOM 0 H SER A 10 24.205 -11.884 3.179 1.00 0.00 H new ATOM 0 HA SER A 10 25.499 -13.183 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.788 -14.709 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.944 -14.130 4.449 1.00 0.00 H new ATOM 0 HG SER A 10 24.372 -15.841 4.094 1.00 0.00 H new ATOM 142 N LYS A 11 22.758 -14.242 1.538 1.00 0.00 N ATOM 143 CA LYS A 11 21.799 -15.012 0.755 1.00 0.00 C ATOM 144 C LYS A 11 22.418 -15.479 -0.558 1.00 0.00 C ATOM 145 O LYS A 11 22.010 -16.494 -1.123 1.00 0.00 O ATOM 146 CB LYS A 11 20.550 -14.172 0.473 1.00 0.00 C ATOM 147 CG LYS A 11 19.718 -13.884 1.710 1.00 0.00 C ATOM 148 CD LYS A 11 19.248 -15.166 2.377 1.00 0.00 C ATOM 149 CE LYS A 11 18.324 -14.877 3.550 1.00 0.00 C ATOM 150 NZ LYS A 11 17.841 -16.129 4.197 1.00 0.00 N ATOM 0 H LYS A 11 22.401 -13.351 1.883 1.00 0.00 H new ATOM 0 HA LYS A 11 21.516 -15.891 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.852 -13.227 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.931 -14.692 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.306 -13.299 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.855 -13.278 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.729 -15.788 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.111 -15.735 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.850 -14.268 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.470 -14.294 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.214 -15.890 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.317 -16.699 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.654 -16.674 4.549 1.00 0.00 H new ATOM 164 N THR A 12 23.407 -14.733 -1.039 1.00 0.00 N ATOM 165 CA THR A 12 24.083 -15.071 -2.285 1.00 0.00 C ATOM 166 C THR A 12 25.573 -15.304 -2.057 1.00 0.00 C ATOM 167 O THR A 12 26.193 -16.124 -2.733 1.00 0.00 O ATOM 168 CB THR A 12 23.904 -13.963 -3.340 1.00 0.00 C ATOM 169 OG1 THR A 12 24.523 -14.354 -4.571 1.00 0.00 O ATOM 170 CG2 THR A 12 24.507 -12.653 -2.857 1.00 0.00 C ATOM 0 H THR A 12 23.758 -13.890 -0.584 1.00 0.00 H new ATOM 0 HA THR A 12 23.626 -15.990 -2.653 1.00 0.00 H new ATOM 0 HB THR A 12 22.836 -13.815 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.042 -13.949 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.368 -11.886 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.013 -12.343 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.572 -12.790 -2.670 1.00 0.00 H new ATOM 178 N TYR A 13 26.140 -14.577 -1.101 1.00 0.00 N ATOM 179 CA TYR A 13 27.558 -14.704 -0.785 1.00 0.00 C ATOM 180 C TYR A 13 27.955 -16.170 -0.640 1.00 0.00 C ATOM 181 O TYR A 13 28.788 -16.676 -1.392 1.00 0.00 O ATOM 182 CB TYR A 13 27.885 -13.945 0.502 1.00 0.00 C ATOM 183 CG TYR A 13 29.280 -13.362 0.524 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.727 -12.539 -0.502 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.151 -13.635 1.572 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.000 -12.005 -0.486 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.426 -13.104 1.597 1.00 0.00 C ATOM 188 CZ TYR A 13 31.846 -12.290 0.566 1.00 0.00 C ATOM 189 OH TYR A 13 33.116 -11.759 0.586 1.00 0.00 O ATOM 0 H TYR A 13 25.640 -13.894 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 13 28.128 -14.272 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.162 -13.140 0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.769 -14.619 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.067 -12.313 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.826 -14.273 2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.332 -11.368 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.090 -13.325 2.419 1.00 0.00 H new ATOM 0 HH TYR A 13 33.117 -10.896 0.121 1.00 0.00 H new ATOM 199 N SER A 14 27.353 -16.846 0.333 1.00 0.00 N ATOM 200 CA SER A 14 27.644 -18.253 0.580 1.00 0.00 C ATOM 201 C SER A 14 29.047 -18.424 1.155 1.00 0.00 C ATOM 202 O SER A 14 29.216 -18.646 2.353 1.00 0.00 O ATOM 203 CB SER A 14 27.509 -19.059 -0.714 1.00 0.00 C ATOM 204 OG SER A 14 26.457 -20.003 -0.618 1.00 0.00 O ATOM 0 H SER A 14 26.660 -16.442 0.963 1.00 0.00 H new ATOM 0 HA SER A 14 26.923 -18.625 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.321 -18.384 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.446 -19.574 -0.925 1.00 0.00 H new ATOM 0 HG SER A 14 26.390 -20.504 -1.457 1.00 0.00 H new ATOM 210 N GLY A 15 30.052 -18.318 0.290 1.00 0.00 N ATOM 211 CA GLY A 15 31.427 -18.464 0.729 1.00 0.00 C ATOM 212 C GLY A 15 32.230 -17.191 0.551 1.00 0.00 C ATOM 213 O GLY A 15 31.669 -16.122 0.308 1.00 0.00 O ATOM 0 H GLY A 15 29.938 -18.134 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 15 31.441 -18.755 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 15 31.901 -19.270 0.169 1.00 0.00 H new ATOM 217 N LYS A 16 33.549 -17.303 0.672 1.00 0.00 N ATOM 218 CA LYS A 16 34.432 -16.153 0.524 1.00 0.00 C ATOM 219 C LYS A 16 34.172 -15.122 1.617 1.00 0.00 C ATOM 220 O LYS A 16 33.243 -15.267 2.413 1.00 0.00 O ATOM 221 CB LYS A 16 34.241 -15.512 -0.853 1.00 0.00 C ATOM 222 CG LYS A 16 35.500 -15.506 -1.702 1.00 0.00 C ATOM 223 CD LYS A 16 35.291 -16.243 -3.014 1.00 0.00 C ATOM 224 CE LYS A 16 34.526 -15.392 -4.015 1.00 0.00 C ATOM 225 NZ LYS A 16 35.381 -14.324 -4.604 1.00 0.00 N ATOM 0 H LYS A 16 34.030 -18.180 0.872 1.00 0.00 H new ATOM 0 HA LYS A 16 35.460 -16.502 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 16 33.455 -16.046 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 33.896 -14.486 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.798 -14.477 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.316 -15.971 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.257 -16.521 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 16 34.746 -17.169 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 16 34.139 -16.028 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 16 33.666 -14.938 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 34.873 -13.865 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 35.605 -13.617 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 36.263 -14.743 -4.962 1.00 0.00 H new ATOM 239 N CYS A 17 34.996 -14.080 1.650 1.00 0.00 N ATOM 240 CA CYS A 17 34.855 -13.024 2.645 1.00 0.00 C ATOM 241 C CYS A 17 35.849 -11.896 2.386 1.00 0.00 C ATOM 242 O CYS A 17 37.034 -12.139 2.158 1.00 0.00 O ATOM 243 CB CYS A 17 35.063 -13.588 4.052 1.00 0.00 C ATOM 244 SG CYS A 17 34.735 -12.394 5.388 1.00 0.00 S ATOM 0 H CYS A 17 35.769 -13.944 0.998 1.00 0.00 H new ATOM 0 HA CYS A 17 33.845 -12.620 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.413 -14.453 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 17 36.089 -13.944 4.141 1.00 0.00 H new ATOM 249 N ASP A 18 35.358 -10.662 2.423 1.00 0.00 N ATOM 250 CA ASP A 18 36.203 -9.496 2.193 1.00 0.00 C ATOM 251 C ASP A 18 35.422 -8.205 2.423 1.00 0.00 C ATOM 252 O ASP A 18 34.331 -8.222 2.992 1.00 0.00 O ATOM 253 CB ASP A 18 36.766 -9.519 0.771 1.00 0.00 C ATOM 254 CG ASP A 18 38.219 -9.091 0.717 1.00 0.00 C ATOM 255 OD1 ASP A 18 39.098 -9.935 0.991 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.478 -7.912 0.399 1.00 0.00 O ATOM 0 H ASP A 18 34.379 -10.443 2.610 1.00 0.00 H new ATOM 0 HA ASP A 18 37.029 -9.532 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.671 -10.525 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.172 -8.860 0.138 1.00 0.00 H new ATOM 261 N ASN A 19 35.989 -7.089 1.977 1.00 0.00 N ATOM 262 CA ASN A 19 35.347 -5.789 2.136 1.00 0.00 C ATOM 263 C ASN A 19 34.549 -5.421 0.889 1.00 0.00 C ATOM 264 O ASN A 19 33.320 -5.361 0.920 1.00 0.00 O ATOM 265 CB ASN A 19 36.394 -4.711 2.423 1.00 0.00 C ATOM 266 CG ASN A 19 37.543 -5.231 3.265 1.00 0.00 C ATOM 267 OD1 ASN A 19 37.352 -5.643 4.409 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.745 -5.213 2.702 1.00 0.00 N ATOM 0 H ASN A 19 36.892 -7.059 1.503 1.00 0.00 H new ATOM 0 HA ASN A 19 34.660 -5.851 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.783 -4.326 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 19 35.920 -3.875 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.556 -5.550 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 19 38.857 -4.863 1.751 1.00 0.00 H new ATOM 275 N LYS A 20 35.257 -5.175 -0.208 1.00 0.00 N ATOM 276 CA LYS A 20 34.617 -4.814 -1.467 1.00 0.00 C ATOM 277 C LYS A 20 33.845 -5.996 -2.044 1.00 0.00 C ATOM 278 O LYS A 20 32.797 -5.823 -2.667 1.00 0.00 O ATOM 279 CB LYS A 20 35.663 -4.334 -2.476 1.00 0.00 C ATOM 280 CG LYS A 20 35.130 -3.313 -3.466 1.00 0.00 C ATOM 281 CD LYS A 20 34.968 -3.914 -4.853 1.00 0.00 C ATOM 282 CE LYS A 20 36.036 -3.405 -5.808 1.00 0.00 C ATOM 283 NZ LYS A 20 37.278 -4.224 -5.738 1.00 0.00 N ATOM 0 H LYS A 20 36.275 -5.219 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 20 33.914 -4.005 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.504 -3.899 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.047 -5.194 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.169 -2.934 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 20 35.809 -2.462 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 20 35.024 -5.001 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 20 33.981 -3.668 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 35.649 -3.419 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 20 36.271 -2.368 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 38.082 -3.666 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 37.455 -4.502 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.165 -5.077 -6.323 1.00 0.00 H new ATOM 297 N LYS A 21 34.369 -7.199 -1.831 1.00 0.00 N ATOM 298 CA LYS A 21 33.728 -8.411 -2.327 1.00 0.00 C ATOM 299 C LYS A 21 32.351 -8.596 -1.698 1.00 0.00 C ATOM 300 O LYS A 21 31.384 -8.931 -2.382 1.00 0.00 O ATOM 301 CB LYS A 21 34.603 -9.632 -2.033 1.00 0.00 C ATOM 302 CG LYS A 21 35.908 -9.646 -2.809 1.00 0.00 C ATOM 303 CD LYS A 21 35.666 -9.593 -4.308 1.00 0.00 C ATOM 304 CE LYS A 21 35.767 -8.171 -4.838 1.00 0.00 C ATOM 305 NZ LYS A 21 36.877 -8.022 -5.820 1.00 0.00 N ATOM 0 H LYS A 21 35.236 -7.360 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 21 33.604 -8.311 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.824 -9.662 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.041 -10.536 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.520 -8.796 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.470 -10.547 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.393 -10.225 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 34.679 -9.997 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 34.825 -7.892 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 21 35.923 -7.484 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 36.912 -7.039 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.779 -8.264 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 36.715 -8.659 -6.626 1.00 0.00 H new ATOM 319 N CYS A 22 32.269 -8.374 -0.390 1.00 0.00 N ATOM 320 CA CYS A 22 31.010 -8.514 0.332 1.00 0.00 C ATOM 321 C CYS A 22 29.959 -7.554 -0.216 1.00 0.00 C ATOM 322 O CYS A 22 28.816 -7.942 -0.460 1.00 0.00 O ATOM 323 CB CYS A 22 31.224 -8.256 1.825 1.00 0.00 C ATOM 324 SG CYS A 22 30.660 -9.613 2.902 1.00 0.00 S ATOM 0 H CYS A 22 33.060 -8.096 0.191 1.00 0.00 H new ATOM 0 HA CYS A 22 30.651 -9.534 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.285 -8.081 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.699 -7.343 2.104 1.00 0.00 H new ATOM 329 N ASP A 23 30.353 -6.300 -0.407 1.00 0.00 N ATOM 330 CA ASP A 23 29.446 -5.284 -0.928 1.00 0.00 C ATOM 331 C ASP A 23 29.110 -5.553 -2.391 1.00 0.00 C ATOM 332 O ASP A 23 27.941 -5.645 -2.765 1.00 0.00 O ATOM 333 CB ASP A 23 30.065 -3.893 -0.781 1.00 0.00 C ATOM 334 CG ASP A 23 29.023 -2.817 -0.548 1.00 0.00 C ATOM 335 OD1 ASP A 23 27.827 -3.162 -0.445 1.00 0.00 O ATOM 336 OD2 ASP A 23 29.403 -1.630 -0.468 1.00 0.00 O ATOM 0 H ASP A 23 31.295 -5.962 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 23 28.523 -5.325 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.770 -3.898 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.634 -3.655 -1.680 1.00 0.00 H new ATOM 341 N LYS A 24 30.144 -5.679 -3.217 1.00 0.00 N ATOM 342 CA LYS A 24 29.961 -5.938 -4.640 1.00 0.00 C ATOM 343 C LYS A 24 29.070 -7.157 -4.861 1.00 0.00 C ATOM 344 O LYS A 24 28.113 -7.108 -5.633 1.00 0.00 O ATOM 345 CB LYS A 24 31.315 -6.153 -5.319 1.00 0.00 C ATOM 346 CG LYS A 24 31.209 -6.487 -6.796 1.00 0.00 C ATOM 347 CD LYS A 24 32.576 -6.725 -7.415 1.00 0.00 C ATOM 348 CE LYS A 24 32.538 -7.851 -8.436 1.00 0.00 C ATOM 349 NZ LYS A 24 33.465 -7.599 -9.574 1.00 0.00 N ATOM 0 H LYS A 24 31.118 -5.606 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 24 29.474 -5.069 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.918 -5.253 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.843 -6.959 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.591 -7.375 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.709 -5.672 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.924 -5.810 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.294 -6.967 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.805 -8.790 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.522 -7.965 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.410 -8.389 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.195 -6.716 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.438 -7.516 -9.217 1.00 0.00 H new ATOM 363 N LYS A 25 29.391 -8.250 -4.176 1.00 0.00 N ATOM 364 CA LYS A 25 28.619 -9.481 -4.295 1.00 0.00 C ATOM 365 C LYS A 25 27.177 -9.264 -3.847 1.00 0.00 C ATOM 366 O LYS A 25 26.279 -10.017 -4.226 1.00 0.00 O ATOM 367 CB LYS A 25 29.261 -10.592 -3.461 1.00 0.00 C ATOM 368 CG LYS A 25 28.835 -11.989 -3.878 1.00 0.00 C ATOM 369 CD LYS A 25 30.033 -12.905 -4.063 1.00 0.00 C ATOM 370 CE LYS A 25 30.502 -12.925 -5.510 1.00 0.00 C ATOM 371 NZ LYS A 25 31.968 -12.688 -5.621 1.00 0.00 N ATOM 0 H LYS A 25 30.181 -8.308 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 25 28.615 -9.778 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.345 -10.513 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.006 -10.441 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.169 -12.408 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.270 -11.936 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.848 -12.574 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.771 -13.916 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 25 30.255 -13.887 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 25 29.967 -12.162 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 32.248 -12.709 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 32.201 -11.759 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 32.480 -13.430 -5.102 1.00 0.00 H new ATOM 385 N CYS A 26 26.961 -8.231 -3.041 1.00 0.00 N ATOM 386 CA CYS A 26 25.628 -7.914 -2.542 1.00 0.00 C ATOM 387 C CYS A 26 24.861 -7.059 -3.546 1.00 0.00 C ATOM 388 O CYS A 26 23.679 -7.292 -3.800 1.00 0.00 O ATOM 389 CB CYS A 26 25.723 -7.184 -1.201 1.00 0.00 C ATOM 390 SG CYS A 26 25.826 -8.290 0.242 1.00 0.00 S ATOM 0 H CYS A 26 27.693 -7.598 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 26 25.088 -8.850 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.600 -6.537 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.852 -6.538 -1.089 1.00 0.00 H new ATOM 395 N ILE A 27 25.542 -6.069 -4.114 1.00 0.00 N ATOM 396 CA ILE A 27 24.925 -5.180 -5.091 1.00 0.00 C ATOM 397 C ILE A 27 24.838 -5.845 -6.460 1.00 0.00 C ATOM 398 O ILE A 27 24.071 -5.415 -7.322 1.00 0.00 O ATOM 399 CB ILE A 27 25.706 -3.859 -5.223 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.059 -3.310 -3.839 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.895 -2.841 -6.011 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.536 -3.038 -3.656 1.00 0.00 C ATOM 0 H ILE A 27 26.521 -5.862 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 27 23.920 -4.963 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 27 26.632 -4.054 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.504 -2.387 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.732 -4.021 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.460 -1.913 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.689 -3.233 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.954 -2.647 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.713 -2.651 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.096 -3.963 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.865 -2.304 -4.391 1.00 0.00 H new ATOM 414 N GLU A 28 25.628 -6.897 -6.653 1.00 0.00 N ATOM 415 CA GLU A 28 25.639 -7.622 -7.918 1.00 0.00 C ATOM 416 C GLU A 28 24.517 -8.656 -7.962 1.00 0.00 C ATOM 417 O GLU A 28 23.843 -8.813 -8.980 1.00 0.00 O ATOM 418 CB GLU A 28 26.990 -8.309 -8.126 1.00 0.00 C ATOM 419 CG GLU A 28 28.055 -7.395 -8.706 1.00 0.00 C ATOM 420 CD GLU A 28 28.382 -7.722 -10.150 1.00 0.00 C ATOM 421 OE1 GLU A 28 27.441 -7.800 -10.967 1.00 0.00 O ATOM 422 OE2 GLU A 28 29.578 -7.900 -10.462 1.00 0.00 O ATOM 0 H GLU A 28 26.268 -7.266 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 28 25.478 -6.903 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.340 -8.700 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.855 -9.163 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.716 -6.361 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.961 -7.473 -8.106 1.00 0.00 H new ATOM 429 N TRP A 29 24.325 -9.359 -6.852 1.00 0.00 N ATOM 430 CA TRP A 29 23.286 -10.379 -6.764 1.00 0.00 C ATOM 431 C TRP A 29 22.087 -9.868 -5.972 1.00 0.00 C ATOM 432 O TRP A 29 20.950 -9.944 -6.435 1.00 0.00 O ATOM 433 CB TRP A 29 23.841 -11.646 -6.111 1.00 0.00 C ATOM 434 CG TRP A 29 24.366 -12.643 -7.099 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.431 -12.482 -7.938 1.00 0.00 C ATOM 436 CD2 TRP A 29 23.847 -13.953 -7.353 1.00 0.00 C ATOM 437 NE1 TRP A 29 25.606 -13.614 -8.698 1.00 0.00 N ATOM 438 CE2 TRP A 29 24.648 -14.531 -8.357 1.00 0.00 C ATOM 439 CE3 TRP A 29 22.786 -14.695 -6.828 1.00 0.00 C ATOM 440 CZ2 TRP A 29 24.418 -15.814 -8.846 1.00 0.00 C ATOM 441 CZ3 TRP A 29 22.558 -15.968 -7.313 1.00 0.00 C ATOM 442 CH2 TRP A 29 23.372 -16.518 -8.314 1.00 0.00 C ATOM 0 H TRP A 29 24.875 -9.242 -6.001 1.00 0.00 H new ATOM 0 HA TRP A 29 22.956 -10.614 -7.776 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.641 -11.371 -5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.056 -12.113 -5.516 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.045 -11.596 -7.996 1.00 0.00 H new ATOM 0 HE1 TRP A 29 26.332 -13.749 -9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 29 22.155 -14.280 -6.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 25.043 -16.239 -9.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 21.740 -16.549 -6.915 1.00 0.00 H new ATOM 0 HH2 TRP A 29 23.169 -17.517 -8.672 1.00 0.00 H new ATOM 453 N GLU A 30 22.350 -9.346 -4.778 1.00 0.00 N ATOM 454 CA GLU A 30 21.291 -8.823 -3.924 1.00 0.00 C ATOM 455 C GLU A 30 20.981 -7.370 -4.270 1.00 0.00 C ATOM 456 O GLU A 30 20.108 -6.747 -3.664 1.00 0.00 O ATOM 457 CB GLU A 30 21.692 -8.934 -2.451 1.00 0.00 C ATOM 458 CG GLU A 30 22.345 -10.259 -2.096 1.00 0.00 C ATOM 459 CD GLU A 30 21.397 -11.434 -2.237 1.00 0.00 C ATOM 460 OE1 GLU A 30 20.249 -11.221 -2.680 1.00 0.00 O ATOM 461 OE2 GLU A 30 21.803 -12.567 -1.904 1.00 0.00 O ATOM 0 H GLU A 30 23.287 -9.274 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 30 20.394 -9.418 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.379 -8.123 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.806 -8.797 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.211 -10.417 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.713 -10.215 -1.071 1.00 0.00 H new ATOM 468 N LYS A 31 21.703 -6.834 -5.248 1.00 0.00 N ATOM 469 CA LYS A 31 21.506 -5.454 -5.677 1.00 0.00 C ATOM 470 C LYS A 31 21.360 -4.526 -4.475 1.00 0.00 C ATOM 471 O LYS A 31 20.596 -3.562 -4.513 1.00 0.00 O ATOM 472 CB LYS A 31 20.268 -5.348 -6.571 1.00 0.00 C ATOM 473 CG LYS A 31 20.199 -6.420 -7.645 1.00 0.00 C ATOM 474 CD LYS A 31 21.492 -6.497 -8.439 1.00 0.00 C ATOM 475 CE LYS A 31 21.811 -5.172 -9.115 1.00 0.00 C ATOM 476 NZ LYS A 31 20.703 -4.721 -10.001 1.00 0.00 N ATOM 0 H LYS A 31 22.430 -7.334 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 31 22.384 -5.147 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.375 -5.411 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.257 -4.368 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.996 -7.386 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.369 -6.208 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.311 -6.775 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.412 -7.281 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.001 -4.413 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.725 -5.273 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.027 -3.922 -10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.413 -5.504 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.894 -4.421 -9.420 1.00 0.00 H new ATOM 490 N ALA A 32 22.098 -4.823 -3.411 1.00 0.00 N ATOM 491 CA ALA A 32 22.053 -4.013 -2.200 1.00 0.00 C ATOM 492 C ALA A 32 22.834 -2.715 -2.378 1.00 0.00 C ATOM 493 O ALA A 32 23.184 -2.340 -3.497 1.00 0.00 O ATOM 494 CB ALA A 32 22.598 -4.801 -1.018 1.00 0.00 C ATOM 0 H ALA A 32 22.734 -5.619 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 32 21.012 -3.756 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.559 -4.184 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.996 -5.697 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.631 -5.087 -1.217 1.00 0.00 H new ATOM 500 N GLN A 33 23.102 -2.034 -1.269 1.00 0.00 N ATOM 501 CA GLN A 33 23.840 -0.777 -1.304 1.00 0.00 C ATOM 502 C GLN A 33 25.132 -0.882 -0.500 1.00 0.00 C ATOM 503 O GLN A 33 26.202 -0.496 -0.972 1.00 0.00 O ATOM 504 CB GLN A 33 22.977 0.361 -0.758 1.00 0.00 C ATOM 505 CG GLN A 33 22.592 1.390 -1.809 1.00 0.00 C ATOM 506 CD GLN A 33 23.600 2.517 -1.919 1.00 0.00 C ATOM 507 OE1 GLN A 33 23.875 3.217 -0.944 1.00 0.00 O ATOM 508 NE2 GLN A 33 24.158 2.699 -3.111 1.00 0.00 N ATOM 0 H GLN A 33 22.819 -2.331 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 33 24.095 -0.564 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.070 -0.058 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.516 0.860 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.497 0.897 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.614 1.805 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.901 2.095 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.844 3.442 -3.245 1.00 0.00 H new ATOM 517 N HIS A 34 25.025 -1.406 0.717 1.00 0.00 N ATOM 518 CA HIS A 34 26.185 -1.561 1.588 1.00 0.00 C ATOM 519 C HIS A 34 26.275 -2.987 2.123 1.00 0.00 C ATOM 520 O HIS A 34 25.262 -3.601 2.455 1.00 0.00 O ATOM 521 CB HIS A 34 26.114 -0.571 2.750 1.00 0.00 C ATOM 522 CG HIS A 34 26.844 0.711 2.491 1.00 0.00 C ATOM 523 ND1 HIS A 34 27.764 1.244 3.370 1.00 0.00 N ATOM 524 CD2 HIS A 34 26.789 1.566 1.443 1.00 0.00 C ATOM 525 CE1 HIS A 34 28.240 2.372 2.874 1.00 0.00 C ATOM 526 NE2 HIS A 34 27.665 2.590 1.706 1.00 0.00 N ATOM 0 H HIS A 34 24.147 -1.730 1.122 1.00 0.00 H new ATOM 0 HA HIS A 34 27.080 -1.355 1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.069 -0.348 2.963 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.527 -1.041 3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 34 26.171 1.462 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 34 28.975 3.008 3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 34 27.843 3.389 1.098 1.00 0.00 H new ATOM 534 N GLY A 35 27.496 -3.507 2.205 1.00 0.00 N ATOM 535 CA GLY A 35 27.696 -4.857 2.700 1.00 0.00 C ATOM 536 C GLY A 35 28.946 -4.985 3.547 1.00 0.00 C ATOM 537 O GLY A 35 29.910 -4.244 3.358 1.00 0.00 O ATOM 0 H GLY A 35 28.350 -3.018 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.829 -5.157 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.761 -5.544 1.856 1.00 0.00 H new ATOM 541 N ALA A 36 28.929 -5.926 4.485 1.00 0.00 N ATOM 542 CA ALA A 36 30.070 -6.149 5.365 1.00 0.00 C ATOM 543 C ALA A 36 30.258 -7.634 5.654 1.00 0.00 C ATOM 544 O ALA A 36 29.348 -8.437 5.450 1.00 0.00 O ATOM 545 CB ALA A 36 29.895 -5.374 6.662 1.00 0.00 C ATOM 0 H ALA A 36 28.138 -6.546 4.655 1.00 0.00 H new ATOM 0 HA ALA A 36 30.965 -5.789 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.754 -5.550 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.818 -4.309 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.987 -5.707 7.165 1.00 0.00 H new ATOM 551 N CYS A 37 31.446 -7.993 6.131 1.00 0.00 N ATOM 552 CA CYS A 37 31.755 -9.382 6.448 1.00 0.00 C ATOM 553 C CYS A 37 32.167 -9.527 7.910 1.00 0.00 C ATOM 554 O CYS A 37 32.742 -8.611 8.498 1.00 0.00 O ATOM 555 CB CYS A 37 32.871 -9.898 5.538 1.00 0.00 C ATOM 556 SG CYS A 37 32.763 -11.678 5.166 1.00 0.00 S ATOM 0 H CYS A 37 32.210 -7.341 6.306 1.00 0.00 H new ATOM 0 HA CYS A 37 30.856 -9.976 6.282 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.849 -9.340 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.833 -9.694 6.009 1.00 0.00 H new ATOM 561 N HIS A 38 31.869 -10.686 8.491 1.00 0.00 N ATOM 562 CA HIS A 38 32.209 -10.952 9.884 1.00 0.00 C ATOM 563 C HIS A 38 32.369 -12.450 10.127 1.00 0.00 C ATOM 564 O HIS A 38 31.619 -13.261 9.584 1.00 0.00 O ATOM 565 CB HIS A 38 31.134 -10.385 10.811 1.00 0.00 C ATOM 566 CG HIS A 38 31.390 -10.655 12.261 1.00 0.00 C ATOM 567 ND1 HIS A 38 30.491 -11.311 13.075 1.00 0.00 N ATOM 568 CD2 HIS A 38 32.454 -10.355 13.043 1.00 0.00 C ATOM 569 CE1 HIS A 38 30.989 -11.401 14.295 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.180 -10.829 14.302 1.00 0.00 N ATOM 0 H HIS A 38 31.393 -11.455 8.019 1.00 0.00 H new ATOM 0 HA HIS A 38 33.159 -10.463 10.100 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.065 -9.308 10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.168 -10.809 10.536 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.351 -9.839 12.734 1.00 0.00 H new ATOM 0 HE1 HIS A 38 30.505 -11.863 15.143 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.796 -10.752 15.111 1.00 0.00 H new ATOM 578 N LYS A 39 33.351 -12.810 10.946 1.00 0.00 N ATOM 579 CA LYS A 39 33.610 -14.210 11.262 1.00 0.00 C ATOM 580 C LYS A 39 32.858 -14.631 12.520 1.00 0.00 C ATOM 581 O LYS A 39 32.917 -13.953 13.546 1.00 0.00 O ATOM 582 CB LYS A 39 35.111 -14.442 11.450 1.00 0.00 C ATOM 583 CG LYS A 39 35.485 -15.906 11.608 1.00 0.00 C ATOM 584 CD LYS A 39 35.646 -16.285 13.071 1.00 0.00 C ATOM 585 CE LYS A 39 37.092 -16.621 13.403 1.00 0.00 C ATOM 586 NZ LYS A 39 37.232 -17.157 14.786 1.00 0.00 N ATOM 0 H LYS A 39 33.981 -12.151 11.403 1.00 0.00 H new ATOM 0 HA LYS A 39 33.257 -14.817 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.644 -14.030 10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.448 -13.893 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.717 -16.530 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.415 -16.105 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.309 -15.462 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.011 -17.141 13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.468 -17.354 12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.707 -15.727 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.231 -17.374 14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.897 -16.448 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.666 -18.024 14.881 1.00 0.00 H new ATOM 600 N ARG A 40 32.153 -15.755 12.434 1.00 0.00 N ATOM 601 CA ARG A 40 31.390 -16.266 13.566 1.00 0.00 C ATOM 602 C ARG A 40 31.137 -17.764 13.419 1.00 0.00 C ATOM 603 O ARG A 40 31.459 -18.359 12.391 1.00 0.00 O ATOM 604 CB ARG A 40 30.059 -15.522 13.689 1.00 0.00 C ATOM 605 CG ARG A 40 30.025 -14.520 14.831 1.00 0.00 C ATOM 606 CD ARG A 40 29.477 -15.146 16.105 1.00 0.00 C ATOM 607 NE ARG A 40 29.028 -14.137 17.061 1.00 0.00 N ATOM 608 CZ ARG A 40 27.916 -13.426 16.910 1.00 0.00 C ATOM 609 NH1 ARG A 40 27.144 -13.612 15.848 1.00 0.00 N ATOM 610 NH2 ARG A 40 27.574 -12.526 17.823 1.00 0.00 N ATOM 0 H ARG A 40 32.095 -16.328 11.592 1.00 0.00 H new ATOM 0 HA ARG A 40 31.975 -16.101 14.471 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.856 -15.001 12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.258 -16.248 13.830 1.00 0.00 H new ATOM 0 HG2 ARG A 40 31.030 -14.141 15.014 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.409 -13.666 14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.645 -15.805 15.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.247 -15.764 16.566 1.00 0.00 H new ATOM 0 HE ARG A 40 29.599 -13.969 17.889 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.403 -14.303 15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.291 -13.064 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 40 28.165 -12.380 18.641 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.720 -11.980 17.706 1.00 0.00 H new ATOM 624 N GLU A 41 30.558 -18.365 14.453 1.00 0.00 N ATOM 625 CA GLU A 41 30.263 -19.793 14.438 1.00 0.00 C ATOM 626 C GLU A 41 31.485 -20.597 14.002 1.00 0.00 C ATOM 627 O GLU A 41 31.654 -20.897 12.821 1.00 0.00 O ATOM 628 CB GLU A 41 29.087 -20.084 13.502 1.00 0.00 C ATOM 629 CG GLU A 41 27.767 -19.508 13.986 1.00 0.00 C ATOM 630 CD GLU A 41 26.695 -19.525 12.914 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.989 -19.109 11.774 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.562 -19.954 13.216 1.00 0.00 O ATOM 0 H GLU A 41 30.284 -17.886 15.311 1.00 0.00 H new ATOM 0 HA GLU A 41 29.995 -20.093 15.451 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.310 -19.679 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.983 -21.163 13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.421 -20.077 14.849 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.924 -18.483 14.322 1.00 0.00 H new ATOM 639 N ALA A 42 32.333 -20.941 14.965 1.00 0.00 N ATOM 640 CA ALA A 42 33.539 -21.710 14.682 1.00 0.00 C ATOM 641 C ALA A 42 34.461 -20.956 13.731 1.00 0.00 C ATOM 642 O ALA A 42 35.394 -20.279 14.162 1.00 0.00 O ATOM 643 CB ALA A 42 33.173 -23.068 14.100 1.00 0.00 C ATOM 0 H ALA A 42 32.208 -20.700 15.948 1.00 0.00 H new ATOM 0 HA ALA A 42 34.073 -21.860 15.620 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.082 -23.632 13.893 1.00 0.00 H new ATOM 0 HB2 ALA A 42 32.560 -23.617 14.815 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.614 -22.929 13.175 1.00 0.00 H new ATOM 649 N GLY A 43 34.195 -21.077 12.434 1.00 0.00 N ATOM 650 CA GLY A 43 35.011 -20.401 11.443 1.00 0.00 C ATOM 651 C GLY A 43 34.236 -20.067 10.184 1.00 0.00 C ATOM 652 O GLY A 43 34.776 -20.125 9.079 1.00 0.00 O ATOM 0 H GLY A 43 33.429 -21.631 12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.413 -19.483 11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.862 -21.032 11.186 1.00 0.00 H new ATOM 656 N LYS A 44 32.964 -19.719 10.348 1.00 0.00 N ATOM 657 CA LYS A 44 32.112 -19.376 9.216 1.00 0.00 C ATOM 658 C LYS A 44 31.883 -17.869 9.144 1.00 0.00 C ATOM 659 O LYS A 44 31.297 -17.278 10.050 1.00 0.00 O ATOM 660 CB LYS A 44 30.768 -20.101 9.324 1.00 0.00 C ATOM 661 CG LYS A 44 30.901 -21.602 9.518 1.00 0.00 C ATOM 662 CD LYS A 44 30.005 -22.101 10.639 1.00 0.00 C ATOM 663 CE LYS A 44 30.676 -23.209 11.437 1.00 0.00 C ATOM 664 NZ LYS A 44 29.976 -24.513 11.273 1.00 0.00 N ATOM 0 H LYS A 44 32.500 -19.667 11.255 1.00 0.00 H new ATOM 0 HA LYS A 44 32.618 -19.694 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.205 -19.684 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.188 -19.910 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.644 -22.114 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.938 -21.850 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.755 -21.273 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.068 -22.468 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.713 -23.311 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.694 -22.937 12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.464 -25.242 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.994 -24.424 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.981 -24.786 10.269 1.00 0.00 H new ATOM 678 N GLU A 45 32.349 -17.256 8.061 1.00 0.00 N ATOM 679 CA GLU A 45 32.194 -15.818 7.872 1.00 0.00 C ATOM 680 C GLU A 45 30.868 -15.499 7.189 1.00 0.00 C ATOM 681 O GLU A 45 30.547 -16.058 6.140 1.00 0.00 O ATOM 682 CB GLU A 45 33.354 -15.262 7.044 1.00 0.00 C ATOM 683 CG GLU A 45 34.466 -14.655 7.884 1.00 0.00 C ATOM 684 CD GLU A 45 35.838 -14.861 7.272 1.00 0.00 C ATOM 685 OE1 GLU A 45 36.080 -15.950 6.710 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.670 -13.934 7.356 1.00 0.00 O ATOM 0 H GLU A 45 32.836 -17.732 7.302 1.00 0.00 H new ATOM 0 HA GLU A 45 32.199 -15.346 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.769 -16.063 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.971 -14.504 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.283 -13.587 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.446 -15.097 8.880 1.00 0.00 H new ATOM 693 N SER A 46 30.100 -14.596 7.791 1.00 0.00 N ATOM 694 CA SER A 46 28.806 -14.205 7.244 1.00 0.00 C ATOM 695 C SER A 46 28.868 -12.799 6.656 1.00 0.00 C ATOM 696 O SER A 46 29.595 -11.937 7.152 1.00 0.00 O ATOM 697 CB SER A 46 27.729 -14.271 8.328 1.00 0.00 C ATOM 698 OG SER A 46 28.283 -14.041 9.612 1.00 0.00 O ATOM 0 H SER A 46 30.352 -14.121 8.658 1.00 0.00 H new ATOM 0 HA SER A 46 28.550 -14.902 6.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 26.957 -13.529 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.246 -15.248 8.306 1.00 0.00 H new ATOM 0 HG SER A 46 27.574 -14.087 10.287 1.00 0.00 H new ATOM 704 N CYS A 47 28.099 -12.573 5.596 1.00 0.00 N ATOM 705 CA CYS A 47 28.065 -11.273 4.939 1.00 0.00 C ATOM 706 C CYS A 47 26.698 -10.615 5.106 1.00 0.00 C ATOM 707 O CYS A 47 25.683 -11.143 4.654 1.00 0.00 O ATOM 708 CB CYS A 47 28.393 -11.420 3.452 1.00 0.00 C ATOM 709 SG CYS A 47 28.658 -9.839 2.588 1.00 0.00 S ATOM 0 H CYS A 47 27.491 -13.275 5.174 1.00 0.00 H new ATOM 0 HA CYS A 47 28.816 -10.637 5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.288 -12.033 3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.580 -11.957 2.963 1.00 0.00 H new ATOM 714 N PHE A 48 26.681 -9.457 5.760 1.00 0.00 N ATOM 715 CA PHE A 48 25.440 -8.727 5.988 1.00 0.00 C ATOM 716 C PHE A 48 25.434 -7.410 5.217 1.00 0.00 C ATOM 717 O PHE A 48 26.336 -6.585 5.367 1.00 0.00 O ATOM 718 CB PHE A 48 25.250 -8.457 7.482 1.00 0.00 C ATOM 719 CG PHE A 48 26.480 -7.920 8.156 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.468 -8.779 8.610 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.649 -6.557 8.335 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.602 -8.288 9.230 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.781 -6.060 8.953 1.00 0.00 C ATOM 724 CZ PHE A 48 28.758 -6.927 9.403 1.00 0.00 C ATOM 0 H PHE A 48 27.512 -9.005 6.141 1.00 0.00 H new ATOM 0 HA PHE A 48 24.615 -9.342 5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.434 -7.746 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.950 -9.382 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.351 -9.844 8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.887 -5.875 7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.365 -8.968 9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.902 -4.995 9.084 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.642 -6.541 9.889 1.00 0.00 H new ATOM 734 N CYS A 49 24.411 -7.220 4.391 1.00 0.00 N ATOM 735 CA CYS A 49 24.286 -6.005 3.594 1.00 0.00 C ATOM 736 C CYS A 49 22.917 -5.362 3.794 1.00 0.00 C ATOM 737 O CYS A 49 21.923 -6.052 4.021 1.00 0.00 O ATOM 738 CB CYS A 49 24.504 -6.317 2.112 1.00 0.00 C ATOM 739 SG CYS A 49 24.264 -8.070 1.678 1.00 0.00 S ATOM 0 H CYS A 49 23.656 -7.892 4.256 1.00 0.00 H new ATOM 0 HA CYS A 49 25.050 -5.302 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.819 -5.710 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 49 25.515 -6.020 1.834 1.00 0.00 H new ATOM 744 N TYR A 50 22.874 -4.037 3.708 1.00 0.00 N ATOM 745 CA TYR A 50 21.628 -3.300 3.881 1.00 0.00 C ATOM 746 C TYR A 50 21.321 -2.452 2.651 1.00 0.00 C ATOM 747 O TYR A 50 22.206 -1.804 2.093 1.00 0.00 O ATOM 748 CB TYR A 50 21.706 -2.409 5.122 1.00 0.00 C ATOM 749 CG TYR A 50 22.439 -3.047 6.281 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.764 -3.832 7.207 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.806 -2.865 6.449 1.00 0.00 C ATOM 752 CE1 TYR A 50 22.429 -4.417 8.268 1.00 0.00 C ATOM 753 CE2 TYR A 50 24.479 -3.446 7.506 1.00 0.00 C ATOM 754 CZ TYR A 50 23.787 -4.221 8.412 1.00 0.00 C ATOM 755 OH TYR A 50 24.454 -4.802 9.467 1.00 0.00 O ATOM 0 H TYR A 50 23.688 -3.451 3.520 1.00 0.00 H new ATOM 0 HA TYR A 50 20.823 -4.023 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.203 -1.476 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.695 -2.153 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.701 -3.988 7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.352 -2.259 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.889 -5.024 8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.542 -3.294 7.622 1.00 0.00 H new ATOM 0 HH TYR A 50 25.412 -4.845 9.265 1.00 0.00 H new ATOM 765 N PHE A 51 20.059 -2.461 2.234 1.00 0.00 N ATOM 766 CA PHE A 51 19.633 -1.694 1.070 1.00 0.00 C ATOM 767 C PHE A 51 18.175 -1.263 1.206 1.00 0.00 C ATOM 768 O PHE A 51 17.356 -1.981 1.780 1.00 0.00 O ATOM 769 CB PHE A 51 19.816 -2.518 -0.206 1.00 0.00 C ATOM 770 CG PHE A 51 19.093 -1.952 -1.395 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.454 -0.723 -1.921 1.00 0.00 C ATOM 772 CD2 PHE A 51 18.052 -2.650 -1.986 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.790 -0.199 -3.014 1.00 0.00 C ATOM 774 CE2 PHE A 51 17.384 -2.132 -3.080 1.00 0.00 C ATOM 775 CZ PHE A 51 17.754 -0.905 -3.595 1.00 0.00 C ATOM 0 H PHE A 51 19.314 -2.991 2.685 1.00 0.00 H new ATOM 0 HA PHE A 51 20.254 -0.800 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.879 -2.585 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.464 -3.534 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.264 -0.167 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.759 -3.610 -1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.081 0.761 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.574 -2.686 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.235 -0.498 -4.450 1.00 0.00 H new ATOM 785 N ASP A 52 17.860 -0.087 0.674 1.00 0.00 N ATOM 786 CA ASP A 52 16.502 0.440 0.735 1.00 0.00 C ATOM 787 C ASP A 52 15.602 -0.259 -0.279 1.00 0.00 C ATOM 788 O ASP A 52 15.881 -0.256 -1.478 1.00 0.00 O ATOM 789 CB ASP A 52 16.505 1.948 0.479 1.00 0.00 C ATOM 790 CG ASP A 52 17.371 2.332 -0.705 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.608 2.383 -0.544 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.811 2.582 -1.793 1.00 0.00 O ATOM 0 H ASP A 52 18.527 0.519 0.196 1.00 0.00 H new ATOM 0 HA ASP A 52 16.109 0.250 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.484 2.286 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.863 2.464 1.370 1.00 0.00 H new ATOM 797 N CYS A 53 14.521 -0.857 0.210 1.00 0.00 N ATOM 798 CA CYS A 53 13.580 -1.561 -0.652 1.00 0.00 C ATOM 799 C CYS A 53 12.232 -0.847 -0.684 1.00 0.00 C ATOM 800 O CYS A 53 11.854 -0.168 0.271 1.00 0.00 O ATOM 801 CB CYS A 53 13.394 -3.002 -0.171 1.00 0.00 C ATOM 802 SG CYS A 53 12.984 -3.148 1.598 1.00 0.00 S ATOM 0 H CYS A 53 14.275 -0.868 1.200 1.00 0.00 H new ATOM 0 HA CYS A 53 13.990 -1.572 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.602 -3.470 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 53 14.309 -3.561 -0.368 1.00 0.00 H new ATOM 807 N SER A 54 11.510 -1.005 -1.789 1.00 0.00 N ATOM 808 CA SER A 54 10.206 -0.373 -1.948 1.00 0.00 C ATOM 809 C SER A 54 10.294 1.127 -1.685 1.00 0.00 C ATOM 810 O SER A 54 9.346 1.741 -1.194 1.00 0.00 O ATOM 811 CB SER A 54 9.189 -1.010 -0.999 1.00 0.00 C ATOM 812 OG SER A 54 7.863 -0.786 -1.448 1.00 0.00 O ATOM 0 H SER A 54 11.807 -1.566 -2.588 1.00 0.00 H new ATOM 0 HA SER A 54 9.878 -0.525 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.376 -2.081 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.312 -0.597 0.002 1.00 0.00 H new ATOM 0 HG SER A 54 7.396 -0.205 -0.812 1.00 0.00 H new ATOM 818 N LYS A 55 11.440 1.713 -2.015 1.00 0.00 N ATOM 819 CA LYS A 55 11.654 3.142 -1.817 1.00 0.00 C ATOM 820 C LYS A 55 11.668 3.489 -0.332 1.00 0.00 C ATOM 821 O LYS A 55 10.632 3.817 0.248 1.00 0.00 O ATOM 822 CB LYS A 55 10.564 3.946 -2.530 1.00 0.00 C ATOM 823 CG LYS A 55 10.285 3.471 -3.946 1.00 0.00 C ATOM 824 CD LYS A 55 8.880 2.907 -4.079 1.00 0.00 C ATOM 825 CE LYS A 55 8.872 1.615 -4.881 1.00 0.00 C ATOM 826 NZ LYS A 55 7.678 1.520 -5.766 1.00 0.00 N ATOM 0 H LYS A 55 12.235 1.220 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 55 12.624 3.401 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.644 3.889 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.858 4.995 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.412 4.301 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.012 2.708 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.465 2.724 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.236 3.641 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.777 1.557 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.888 0.764 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.709 0.626 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.814 1.550 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.676 2.318 -6.433 1.00 0.00 H new