USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 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 16 TYR OH : rot 142:sc= 1.1 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0.817 USER MOD Set 1.3: A 23 GLN :FLIP amide:sc= -0.0836! C(o=-3.8!,f=1.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 0.0234 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.0019) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -58:sc= 2.13 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 40:sc= 0.0429 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 58 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.561 6.018 -6.894 1.00 0.00 N ATOM 60 CA GLY A 7 -5.732 5.063 -6.179 1.00 0.00 C ATOM 61 C GLY A 7 -4.959 5.747 -5.049 1.00 0.00 C ATOM 62 O GLY A 7 -4.912 6.974 -4.979 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.356 4.269 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.033 4.593 -6.871 1.00 0.00 H new ATOM 66 N GLU A 8 -4.372 4.923 -4.193 1.00 0.00 N ATOM 67 CA GLU A 8 -3.604 5.433 -3.071 1.00 0.00 C ATOM 68 C GLU A 8 -2.157 4.942 -3.150 1.00 0.00 C ATOM 69 O GLU A 8 -1.887 3.760 -2.942 1.00 0.00 O ATOM 70 CB GLU A 8 -4.246 5.034 -1.740 1.00 0.00 C ATOM 71 CG GLU A 8 -5.277 6.073 -1.295 1.00 0.00 C ATOM 72 CD GLU A 8 -4.831 6.772 -0.010 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.632 7.121 0.060 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.698 6.943 0.874 1.00 0.00 O ATOM 0 H GLU A 8 -4.413 3.906 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.601 6.522 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.726 4.061 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.475 4.932 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.419 6.811 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.240 5.589 -1.134 1.00 0.00 H new ATOM 81 N GLU A 9 -1.265 5.874 -3.453 1.00 0.00 N ATOM 82 CA GLU A 9 0.147 5.550 -3.563 1.00 0.00 C ATOM 83 C GLU A 9 0.748 5.315 -2.175 1.00 0.00 C ATOM 84 O GLU A 9 0.721 6.204 -1.325 1.00 0.00 O ATOM 85 CB GLU A 9 0.905 6.650 -4.309 1.00 0.00 C ATOM 86 CG GLU A 9 1.318 6.180 -5.706 1.00 0.00 C ATOM 87 CD GLU A 9 2.697 6.726 -6.083 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.179 7.609 -5.341 1.00 0.00 O ATOM 89 OE2 GLU A 9 3.236 6.249 -7.104 1.00 0.00 O ATOM 0 H GLU A 9 -1.493 6.853 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 9 0.245 4.631 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.278 7.538 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.790 6.936 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.333 5.091 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.580 6.510 -6.437 1.00 0.00 H new ATOM 96 N PHE A 10 1.274 4.114 -1.989 1.00 0.00 N ATOM 97 CA PHE A 10 1.880 3.751 -0.719 1.00 0.00 C ATOM 98 C PHE A 10 3.260 3.123 -0.929 1.00 0.00 C ATOM 99 O PHE A 10 3.576 2.663 -2.025 1.00 0.00 O ATOM 100 CB PHE A 10 0.959 2.722 -0.062 1.00 0.00 C ATOM 101 CG PHE A 10 -0.054 3.325 0.912 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.129 4.010 0.437 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.119 3.177 2.253 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.070 4.571 1.341 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.821 3.738 3.157 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.896 4.423 2.682 1.00 0.00 C ATOM 0 H PHE A 10 1.293 3.379 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 10 2.005 4.639 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.421 2.182 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.569 1.992 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.267 4.127 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.972 2.632 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.923 5.115 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.683 3.621 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.611 4.849 3.370 1.00 0.00 H new ATOM 116 N VAL A 11 4.044 3.125 0.139 1.00 0.00 N ATOM 117 CA VAL A 11 5.383 2.562 0.085 1.00 0.00 C ATOM 118 C VAL A 11 5.475 1.384 1.057 1.00 0.00 C ATOM 119 O VAL A 11 4.904 1.428 2.146 1.00 0.00 O ATOM 120 CB VAL A 11 6.420 3.651 0.365 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.648 3.070 1.070 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.819 4.372 -0.924 1.00 0.00 C ATOM 0 H VAL A 11 3.778 3.507 1.046 1.00 0.00 H new ATOM 0 HA VAL A 11 5.597 2.178 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 11 5.965 4.383 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.370 3.865 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.346 2.623 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.104 2.308 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.557 5.141 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.246 3.655 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.938 4.834 -1.370 1.00 0.00 H new ATOM 132 N ALA A 12 6.197 0.360 0.629 1.00 0.00 N ATOM 133 CA ALA A 12 6.371 -0.828 1.449 1.00 0.00 C ATOM 134 C ALA A 12 7.359 -0.523 2.577 1.00 0.00 C ATOM 135 O ALA A 12 8.519 -0.204 2.322 1.00 0.00 O ATOM 136 CB ALA A 12 6.832 -1.992 0.569 1.00 0.00 C ATOM 0 H ALA A 12 6.669 0.327 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 12 5.426 -1.120 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.963 -2.883 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.083 -2.187 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.779 -1.736 0.094 1.00 0.00 H new ATOM 142 N ILE A 13 6.863 -0.633 3.800 1.00 0.00 N ATOM 143 CA ILE A 13 7.687 -0.373 4.968 1.00 0.00 C ATOM 144 C ILE A 13 8.625 -1.560 5.200 1.00 0.00 C ATOM 145 O ILE A 13 9.463 -1.527 6.099 1.00 0.00 O ATOM 146 CB ILE A 13 6.812 -0.036 6.177 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.820 -1.163 6.468 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.110 1.311 5.988 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.688 -1.404 7.973 1.00 0.00 C ATOM 0 H ILE A 13 5.900 -0.899 4.008 1.00 0.00 H new ATOM 0 HA ILE A 13 8.315 0.503 4.804 1.00 0.00 H new ATOM 0 HB ILE A 13 7.458 0.057 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.845 -0.911 6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.150 -2.079 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.495 1.526 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.856 2.096 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.479 1.271 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.977 -2.210 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.659 -1.680 8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.334 -0.494 8.458 1.00 0.00 H new ATOM 161 N ALA A 14 8.451 -2.580 4.372 1.00 0.00 N ATOM 162 CA ALA A 14 9.272 -3.775 4.475 1.00 0.00 C ATOM 163 C ALA A 14 9.002 -4.678 3.270 1.00 0.00 C ATOM 164 O ALA A 14 7.855 -4.845 2.858 1.00 0.00 O ATOM 165 CB ALA A 14 8.988 -4.476 5.805 1.00 0.00 C ATOM 0 H ALA A 14 7.754 -2.604 3.627 1.00 0.00 H new ATOM 0 HA ALA A 14 10.331 -3.517 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.603 -5.372 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.223 -3.802 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.935 -4.754 5.852 1.00 0.00 H new ATOM 171 N ASP A 15 10.079 -5.239 2.738 1.00 0.00 N ATOM 172 CA ASP A 15 9.973 -6.121 1.589 1.00 0.00 C ATOM 173 C ASP A 15 9.102 -7.325 1.954 1.00 0.00 C ATOM 174 O ASP A 15 9.197 -7.850 3.062 1.00 0.00 O ATOM 175 CB ASP A 15 11.348 -6.643 1.166 1.00 0.00 C ATOM 176 CG ASP A 15 11.933 -7.729 2.071 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.943 -7.501 3.300 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.357 -8.764 1.512 1.00 0.00 O ATOM 0 H ASP A 15 11.029 -5.099 3.082 1.00 0.00 H new ATOM 0 HA ASP A 15 9.535 -5.554 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.275 -7.037 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.044 -5.805 1.133 1.00 0.00 H new ATOM 183 N TYR A 16 8.275 -7.727 1.001 1.00 0.00 N ATOM 184 CA TYR A 16 7.388 -8.859 1.208 1.00 0.00 C ATOM 185 C TYR A 16 7.476 -9.845 0.042 1.00 0.00 C ATOM 186 O TYR A 16 7.941 -9.492 -1.041 1.00 0.00 O ATOM 187 CB TYR A 16 5.973 -8.281 1.267 1.00 0.00 C ATOM 188 CG TYR A 16 4.873 -9.338 1.390 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.823 -10.155 2.502 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.932 -9.475 0.390 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.788 -11.150 2.618 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.898 -10.470 0.506 1.00 0.00 C ATOM 193 CZ TYR A 16 2.877 -11.258 1.614 1.00 0.00 C ATOM 194 OH TYR A 16 1.900 -12.198 1.724 1.00 0.00 O ATOM 0 H TYR A 16 8.200 -7.289 0.083 1.00 0.00 H new ATOM 0 HA TYR A 16 7.658 -9.397 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.905 -7.600 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.795 -7.690 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.560 -10.048 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.971 -8.836 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.737 -11.795 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.156 -10.588 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 16 1.059 -11.839 1.371 1.00 0.00 H new ATOM 204 N ALA A 17 7.021 -11.062 0.302 1.00 0.00 N ATOM 205 CA ALA A 17 7.042 -12.102 -0.713 1.00 0.00 C ATOM 206 C ALA A 17 5.686 -12.809 -0.741 1.00 0.00 C ATOM 207 O ALA A 17 5.297 -13.453 0.233 1.00 0.00 O ATOM 208 CB ALA A 17 8.197 -13.066 -0.433 1.00 0.00 C ATOM 0 H ALA A 17 6.636 -11.351 1.201 1.00 0.00 H new ATOM 0 HA ALA A 17 7.209 -11.671 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.213 -13.846 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.140 -12.520 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.062 -13.520 0.549 1.00 0.00 H new ATOM 214 N ALA A 18 5.003 -12.667 -1.867 1.00 0.00 N ATOM 215 CA ALA A 18 3.698 -13.284 -2.034 1.00 0.00 C ATOM 216 C ALA A 18 3.805 -14.781 -1.737 1.00 0.00 C ATOM 217 O ALA A 18 4.496 -15.510 -2.447 1.00 0.00 O ATOM 218 CB ALA A 18 3.178 -13.005 -3.446 1.00 0.00 C ATOM 0 H ALA A 18 5.329 -12.134 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 18 2.980 -12.859 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.199 -13.468 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.092 -11.929 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.872 -13.419 -4.178 1.00 0.00 H new ATOM 224 N THR A 19 3.112 -15.195 -0.687 1.00 0.00 N ATOM 225 CA THR A 19 3.120 -16.592 -0.288 1.00 0.00 C ATOM 226 C THR A 19 2.113 -17.390 -1.118 1.00 0.00 C ATOM 227 O THR A 19 2.095 -18.619 -1.066 1.00 0.00 O ATOM 228 CB THR A 19 2.853 -16.655 1.217 1.00 0.00 C ATOM 229 OG1 THR A 19 1.540 -16.122 1.360 1.00 0.00 O ATOM 230 CG2 THR A 19 3.736 -15.689 2.010 1.00 0.00 C ATOM 0 H THR A 19 2.541 -14.587 -0.100 1.00 0.00 H new ATOM 0 HA THR A 19 4.089 -17.053 -0.480 1.00 0.00 H new ATOM 0 HB THR A 19 3.019 -17.672 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.286 -16.127 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.506 -15.774 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.785 -15.936 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.547 -14.668 1.679 1.00 0.00 H new ATOM 238 N ASP A 20 1.298 -16.659 -1.864 1.00 0.00 N ATOM 239 CA ASP A 20 0.290 -17.283 -2.704 1.00 0.00 C ATOM 240 C ASP A 20 0.244 -16.568 -4.056 1.00 0.00 C ATOM 241 O ASP A 20 0.913 -15.554 -4.248 1.00 0.00 O ATOM 242 CB ASP A 20 -1.098 -17.180 -2.068 1.00 0.00 C ATOM 243 CG ASP A 20 -1.478 -18.347 -1.155 1.00 0.00 C ATOM 244 OD1 ASP A 20 -0.553 -18.895 -0.518 1.00 0.00 O ATOM 245 OD2 ASP A 20 -2.687 -18.665 -1.114 1.00 0.00 O ATOM 0 H ASP A 20 1.315 -15.640 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 20 0.555 -18.333 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.150 -16.256 -1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.840 -17.103 -2.862 1.00 0.00 H new ATOM 250 N GLU A 21 -0.551 -17.125 -4.957 1.00 0.00 N ATOM 251 CA GLU A 21 -0.692 -16.553 -6.286 1.00 0.00 C ATOM 252 C GLU A 21 -1.810 -15.509 -6.297 1.00 0.00 C ATOM 253 O GLU A 21 -2.306 -15.137 -7.360 1.00 0.00 O ATOM 254 CB GLU A 21 -0.949 -17.644 -7.327 1.00 0.00 C ATOM 255 CG GLU A 21 -2.306 -18.313 -7.097 1.00 0.00 C ATOM 256 CD GLU A 21 -2.548 -19.427 -8.118 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.972 -19.084 -9.242 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.303 -20.597 -7.750 1.00 0.00 O ATOM 0 H GLU A 21 -1.104 -17.966 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 21 0.243 -16.058 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.917 -17.212 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.158 -18.392 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.347 -18.724 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.099 -17.569 -7.170 1.00 0.00 H new ATOM 265 N THR A 22 -2.175 -15.065 -5.104 1.00 0.00 N ATOM 266 CA THR A 22 -3.225 -14.071 -4.963 1.00 0.00 C ATOM 267 C THR A 22 -2.704 -12.847 -4.208 1.00 0.00 C ATOM 268 O THR A 22 -3.485 -12.005 -3.768 1.00 0.00 O ATOM 269 CB THR A 22 -4.422 -14.740 -4.284 1.00 0.00 C ATOM 270 OG1 THR A 22 -4.008 -14.900 -2.930 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.649 -16.171 -4.776 1.00 0.00 C ATOM 0 H THR A 22 -1.762 -15.376 -4.225 1.00 0.00 H new ATOM 0 HA THR A 22 -3.550 -13.700 -5.935 1.00 0.00 H new ATOM 0 HB THR A 22 -5.319 -14.148 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.726 -15.326 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.510 -16.600 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.835 -16.161 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.765 -16.773 -4.566 1.00 0.00 H new ATOM 279 N GLN A 23 -1.386 -12.788 -4.079 1.00 0.00 N ATOM 280 CA GLN A 23 -0.751 -11.681 -3.384 1.00 0.00 C ATOM 281 C GLN A 23 0.293 -11.018 -4.285 1.00 0.00 C ATOM 282 O GLN A 23 0.799 -11.640 -5.217 1.00 0.00 O ATOM 283 CB GLN A 23 -0.124 -12.147 -2.069 1.00 0.00 C ATOM 284 CG GLN A 23 -1.199 -12.601 -1.079 1.00 0.00 C ATOM 285 CD GLN A 23 -0.574 -13.327 0.114 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.527 -12.598 1.226 1.00 0.00 O flip ATOM 287 NE2 GLN A 23 -0.162 -14.472 0.031 1.00 0.00 N flip ATOM 0 H GLN A 23 -0.741 -13.489 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.515 -10.942 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.567 -12.967 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.458 -11.336 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.764 -11.737 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.906 -13.261 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.229 -14.975 -0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.249 -14.926 0.846 1.00 0.00 H new ATOM 296 N LEU A 24 0.584 -9.763 -3.974 1.00 0.00 N ATOM 297 CA LEU A 24 1.559 -9.009 -4.743 1.00 0.00 C ATOM 298 C LEU A 24 2.895 -8.999 -3.997 1.00 0.00 C ATOM 299 O LEU A 24 2.923 -8.983 -2.768 1.00 0.00 O ATOM 300 CB LEU A 24 1.023 -7.612 -5.064 1.00 0.00 C ATOM 301 CG LEU A 24 0.102 -7.510 -6.281 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.198 -6.048 -6.620 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.686 -8.267 -7.475 1.00 0.00 C ATOM 0 H LEU A 24 0.162 -9.250 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 24 1.736 -9.487 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.483 -7.243 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.872 -6.946 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.847 -7.984 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.855 -6.003 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.687 -5.571 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.734 -5.527 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.012 -8.179 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.656 -7.844 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.807 -9.319 -7.215 1.00 0.00 H new ATOM 315 N SER A 25 3.969 -9.009 -4.772 1.00 0.00 N ATOM 316 CA SER A 25 5.305 -9.002 -4.200 1.00 0.00 C ATOM 317 C SER A 25 5.997 -7.672 -4.505 1.00 0.00 C ATOM 318 O SER A 25 5.901 -7.159 -5.618 1.00 0.00 O ATOM 319 CB SER A 25 6.139 -10.169 -4.733 1.00 0.00 C ATOM 320 OG SER A 25 6.280 -10.120 -6.150 1.00 0.00 O ATOM 0 H SER A 25 3.942 -9.022 -5.792 1.00 0.00 H new ATOM 0 HA SER A 25 5.215 -9.119 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.125 -10.151 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.670 -11.110 -4.448 1.00 0.00 H new ATOM 0 HG SER A 25 6.820 -10.880 -6.452 1.00 0.00 H new ATOM 326 N PHE A 26 6.680 -7.152 -3.495 1.00 0.00 N ATOM 327 CA PHE A 26 7.388 -5.892 -3.641 1.00 0.00 C ATOM 328 C PHE A 26 8.557 -5.802 -2.658 1.00 0.00 C ATOM 329 O PHE A 26 8.803 -6.735 -1.895 1.00 0.00 O ATOM 330 CB PHE A 26 6.387 -4.777 -3.328 1.00 0.00 C ATOM 331 CG PHE A 26 5.506 -5.057 -2.108 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.967 -4.781 -0.859 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.263 -5.581 -2.274 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.150 -5.040 0.273 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.445 -5.841 -1.142 1.00 0.00 C ATOM 336 CZ PHE A 26 3.906 -5.565 0.107 1.00 0.00 C ATOM 0 H PHE A 26 6.758 -7.581 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 26 7.790 -5.807 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.933 -3.848 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.748 -4.622 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.955 -4.365 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.897 -5.800 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.516 -4.820 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.457 -6.258 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.284 -5.763 0.968 1.00 0.00 H new ATOM 346 N LEU A 27 9.245 -4.672 -2.708 1.00 0.00 N ATOM 347 CA LEU A 27 10.382 -4.448 -1.831 1.00 0.00 C ATOM 348 C LEU A 27 10.204 -3.115 -1.101 1.00 0.00 C ATOM 349 O LEU A 27 9.704 -2.151 -1.677 1.00 0.00 O ATOM 350 CB LEU A 27 11.692 -4.550 -2.615 1.00 0.00 C ATOM 351 CG LEU A 27 12.687 -3.406 -2.411 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.402 -3.535 -1.065 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.673 -3.322 -3.578 1.00 0.00 C ATOM 0 H LEU A 27 9.037 -3.901 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 27 10.433 -5.225 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.183 -5.485 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.453 -4.612 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 27 12.131 -2.469 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.104 -2.709 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.668 -3.508 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.944 -4.480 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.369 -2.501 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.227 -4.257 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.126 -3.148 -4.505 1.00 0.00 H new ATOM 365 N ARG A 28 10.624 -3.104 0.155 1.00 0.00 N ATOM 366 CA ARG A 28 10.518 -1.905 0.969 1.00 0.00 C ATOM 367 C ARG A 28 10.841 -0.665 0.133 1.00 0.00 C ATOM 368 O ARG A 28 11.967 -0.503 -0.333 1.00 0.00 O ATOM 369 CB ARG A 28 11.468 -1.966 2.167 1.00 0.00 C ATOM 370 CG ARG A 28 11.398 -0.678 2.989 1.00 0.00 C ATOM 371 CD ARG A 28 12.417 -0.699 4.129 1.00 0.00 C ATOM 372 NE ARG A 28 13.048 0.633 4.269 1.00 0.00 N ATOM 373 CZ ARG A 28 12.481 1.671 4.899 1.00 0.00 C ATOM 374 NH1 ARG A 28 11.268 1.537 5.452 1.00 0.00 N ATOM 375 NH2 ARG A 28 13.127 2.842 4.977 1.00 0.00 N ATOM 0 H ARG A 28 11.038 -3.906 0.629 1.00 0.00 H new ATOM 0 HA ARG A 28 9.493 -1.843 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.211 -2.818 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.489 -2.124 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.587 0.180 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.394 -0.556 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.926 -0.978 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.179 -1.453 3.932 1.00 0.00 H new ATOM 0 HE ARG A 28 13.973 0.769 3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.776 0.645 5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.836 2.327 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.051 2.944 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.695 3.632 5.457 1.00 0.00 H new ATOM 389 N GLY A 29 9.832 0.177 -0.032 1.00 0.00 N ATOM 390 CA GLY A 29 9.994 1.398 -0.804 1.00 0.00 C ATOM 391 C GLY A 29 9.133 1.366 -2.068 1.00 0.00 C ATOM 392 O GLY A 29 8.533 2.373 -2.440 1.00 0.00 O ATOM 0 H GLY A 29 8.899 0.038 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.718 2.258 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.042 1.524 -1.077 1.00 0.00 H new ATOM 396 N GLU A 30 9.099 0.198 -2.693 1.00 0.00 N ATOM 397 CA GLU A 30 8.321 0.021 -3.907 1.00 0.00 C ATOM 398 C GLU A 30 6.995 0.777 -3.803 1.00 0.00 C ATOM 399 O GLU A 30 6.313 0.702 -2.782 1.00 0.00 O ATOM 400 CB GLU A 30 8.086 -1.463 -4.197 1.00 0.00 C ATOM 401 CG GLU A 30 9.050 -1.972 -5.270 1.00 0.00 C ATOM 402 CD GLU A 30 8.328 -2.174 -6.604 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.484 -3.094 -6.659 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.637 -1.404 -7.539 1.00 0.00 O ATOM 0 H GLU A 30 9.598 -0.635 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 30 8.887 0.434 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.217 -2.041 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.058 -1.614 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.866 -1.261 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.495 -2.913 -4.947 1.00 0.00 H new ATOM 411 N LYS A 31 6.670 1.487 -4.873 1.00 0.00 N ATOM 412 CA LYS A 31 5.437 2.256 -4.914 1.00 0.00 C ATOM 413 C LYS A 31 4.254 1.305 -5.106 1.00 0.00 C ATOM 414 O LYS A 31 3.984 0.862 -6.221 1.00 0.00 O ATOM 415 CB LYS A 31 5.524 3.351 -5.979 1.00 0.00 C ATOM 416 CG LYS A 31 6.199 4.606 -5.421 1.00 0.00 C ATOM 417 CD LYS A 31 7.723 4.475 -5.466 1.00 0.00 C ATOM 418 CE LYS A 31 8.361 5.067 -4.207 1.00 0.00 C ATOM 419 NZ LYS A 31 9.796 4.712 -4.138 1.00 0.00 N ATOM 0 H LYS A 31 7.238 1.546 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 31 5.280 2.774 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.085 2.984 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.524 3.599 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.888 5.477 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.875 4.771 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.999 3.425 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.110 4.985 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.248 6.151 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.845 4.695 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.321 5.478 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.910 3.832 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.167 4.576 -5.100 1.00 0.00 H new ATOM 433 N ILE A 32 3.581 1.019 -4.001 1.00 0.00 N ATOM 434 CA ILE A 32 2.433 0.128 -4.033 1.00 0.00 C ATOM 435 C ILE A 32 1.153 0.958 -4.145 1.00 0.00 C ATOM 436 O ILE A 32 0.899 1.829 -3.314 1.00 0.00 O ATOM 437 CB ILE A 32 2.452 -0.814 -2.828 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.840 -1.430 -2.636 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.363 -1.882 -2.950 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.048 -2.618 -3.578 1.00 0.00 C ATOM 0 H ILE A 32 3.809 1.388 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 32 2.474 -0.516 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 32 2.232 -0.230 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.605 -0.676 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.957 -1.756 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.398 -2.539 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.386 -1.401 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.528 -2.468 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.042 -3.037 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.296 -3.380 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.954 -2.284 -4.611 1.00 0.00 H new ATOM 452 N LEU A 33 0.379 0.658 -5.178 1.00 0.00 N ATOM 453 CA LEU A 33 -0.869 1.365 -5.409 1.00 0.00 C ATOM 454 C LEU A 33 -2.001 0.647 -4.673 1.00 0.00 C ATOM 455 O LEU A 33 -2.301 -0.510 -4.966 1.00 0.00 O ATOM 456 CB LEU A 33 -1.120 1.533 -6.909 1.00 0.00 C ATOM 457 CG LEU A 33 -1.513 2.938 -7.370 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.860 3.354 -6.775 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.409 3.949 -7.051 1.00 0.00 C ATOM 0 H LEU A 33 0.592 -0.066 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.815 2.375 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.218 1.236 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.909 0.841 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.631 2.921 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.116 4.356 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.631 2.653 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.794 3.349 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.714 4.939 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.235 3.970 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.509 3.658 -7.561 1.00 0.00 H new ATOM 471 N ILE A 34 -2.599 1.361 -3.731 1.00 0.00 N ATOM 472 CA ILE A 34 -3.691 0.806 -2.950 1.00 0.00 C ATOM 473 C ILE A 34 -5.019 1.130 -3.637 1.00 0.00 C ATOM 474 O ILE A 34 -5.737 2.035 -3.215 1.00 0.00 O ATOM 475 CB ILE A 34 -3.615 1.290 -1.501 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.260 0.946 -0.879 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.781 0.741 -0.677 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.928 -0.535 -1.074 1.00 0.00 C ATOM 0 H ILE A 34 -2.348 2.320 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.611 -0.280 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.704 2.376 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.481 1.560 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.274 1.182 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.703 1.100 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.723 1.079 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.750 -0.349 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.960 -0.753 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.696 -1.146 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.891 -0.762 -2.139 1.00 0.00 H new ATOM 490 N LEU A 35 -5.307 0.372 -4.686 1.00 0.00 N ATOM 491 CA LEU A 35 -6.536 0.567 -5.435 1.00 0.00 C ATOM 492 C LEU A 35 -7.707 0.707 -4.460 1.00 0.00 C ATOM 493 O LEU A 35 -8.300 1.778 -4.346 1.00 0.00 O ATOM 494 CB LEU A 35 -6.721 -0.553 -6.462 1.00 0.00 C ATOM 495 CG LEU A 35 -6.127 -0.297 -7.848 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.681 0.191 -7.743 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.250 -1.537 -8.735 1.00 0.00 C ATOM 0 H LEU A 35 -4.710 -0.378 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.488 1.492 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.277 -1.464 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.788 -0.742 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.701 0.498 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.282 0.365 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.651 1.120 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.078 -0.564 -7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.820 -1.328 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.716 -2.368 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.302 -1.800 -8.849 1.00 0.00 H new ATOM 509 N ARG A 36 -8.004 -0.391 -3.781 1.00 0.00 N ATOM 510 CA ARG A 36 -9.093 -0.405 -2.819 1.00 0.00 C ATOM 511 C ARG A 36 -8.609 -0.957 -1.477 1.00 0.00 C ATOM 512 O ARG A 36 -7.559 -1.594 -1.406 1.00 0.00 O ATOM 513 CB ARG A 36 -10.261 -1.256 -3.322 1.00 0.00 C ATOM 514 CG ARG A 36 -11.591 -0.743 -2.766 1.00 0.00 C ATOM 515 CD ARG A 36 -12.684 -0.781 -3.837 1.00 0.00 C ATOM 516 NE ARG A 36 -13.885 -0.059 -3.361 1.00 0.00 N ATOM 517 CZ ARG A 36 -14.822 0.455 -4.169 1.00 0.00 C ATOM 518 NH1 ARG A 36 -14.703 0.328 -5.498 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.878 1.094 -3.649 1.00 0.00 N ATOM 0 H ARG A 36 -7.509 -1.278 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.435 0.622 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.287 -1.237 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.114 -2.294 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.891 -1.351 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.468 0.277 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.318 -0.327 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.940 -1.814 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.007 0.054 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.899 -0.160 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.416 0.719 -6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.969 1.189 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.591 1.485 -4.264 1.00 0.00 H new ATOM 533 N GLN A 37 -9.398 -0.693 -0.446 1.00 0.00 N ATOM 534 CA GLN A 37 -9.063 -1.156 0.890 1.00 0.00 C ATOM 535 C GLN A 37 -9.842 -2.431 1.221 1.00 0.00 C ATOM 536 O GLN A 37 -9.258 -3.426 1.649 1.00 0.00 O ATOM 537 CB GLN A 37 -9.328 -0.066 1.930 1.00 0.00 C ATOM 538 CG GLN A 37 -8.315 1.073 1.801 1.00 0.00 C ATOM 539 CD GLN A 37 -9.001 2.435 1.931 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.738 2.700 2.865 1.00 0.00 O ATOM 541 NE2 GLN A 37 -8.718 3.279 0.943 1.00 0.00 N ATOM 0 H GLN A 37 -10.268 -0.164 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.998 -1.387 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.338 0.325 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.275 -0.493 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.550 0.973 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.809 1.007 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.092 2.992 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.127 4.213 0.938 1.00 0.00 H new ATOM 550 N THR A 38 -11.148 -2.360 1.011 1.00 0.00 N ATOM 551 CA THR A 38 -12.012 -3.496 1.282 1.00 0.00 C ATOM 552 C THR A 38 -12.053 -3.789 2.783 1.00 0.00 C ATOM 553 O THR A 38 -13.075 -3.574 3.433 1.00 0.00 O ATOM 554 CB THR A 38 -11.517 -4.677 0.445 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.389 -4.142 -0.869 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.572 -5.775 0.300 1.00 0.00 C ATOM 0 H THR A 38 -11.629 -1.533 0.656 1.00 0.00 H new ATOM 0 HA THR A 38 -13.043 -3.286 0.996 1.00 0.00 H new ATOM 0 HB THR A 38 -10.620 -5.095 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.071 -4.841 -1.477 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.169 -6.589 -0.303 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.842 -6.153 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.458 -5.367 -0.187 1.00 0.00 H new ATOM 564 N THR A 39 -10.930 -4.275 3.289 1.00 0.00 N ATOM 565 CA THR A 39 -10.825 -4.599 4.702 1.00 0.00 C ATOM 566 C THR A 39 -9.663 -3.834 5.340 1.00 0.00 C ATOM 567 O THR A 39 -8.766 -3.365 4.641 1.00 0.00 O ATOM 568 CB THR A 39 -10.695 -6.118 4.829 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.347 -6.385 4.448 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.531 -6.867 3.790 1.00 0.00 C ATOM 0 H THR A 39 -10.085 -4.452 2.747 1.00 0.00 H new ATOM 0 HA THR A 39 -11.716 -4.287 5.247 1.00 0.00 H new ATOM 0 HB THR A 39 -11.000 -6.425 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.190 -6.045 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.402 -7.941 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.583 -6.609 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.205 -6.585 2.789 1.00 0.00 H new ATOM 578 N ALA A 40 -9.718 -3.733 6.660 1.00 0.00 N ATOM 579 CA ALA A 40 -8.681 -3.033 7.400 1.00 0.00 C ATOM 580 C ALA A 40 -7.538 -4.001 7.707 1.00 0.00 C ATOM 581 O ALA A 40 -6.642 -3.682 8.488 1.00 0.00 O ATOM 582 CB ALA A 40 -9.283 -2.421 8.666 1.00 0.00 C ATOM 0 H ALA A 40 -10.464 -4.124 7.236 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.270 -2.216 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.506 -1.896 9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.070 -1.719 8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.702 -3.212 9.288 1.00 0.00 H new ATOM 588 N ASP A 41 -7.605 -5.165 7.078 1.00 0.00 N ATOM 589 CA ASP A 41 -6.586 -6.183 7.275 1.00 0.00 C ATOM 590 C ASP A 41 -5.950 -6.528 5.927 1.00 0.00 C ATOM 591 O ASP A 41 -4.733 -6.681 5.832 1.00 0.00 O ATOM 592 CB ASP A 41 -7.191 -7.463 7.854 1.00 0.00 C ATOM 593 CG ASP A 41 -6.272 -8.244 8.796 1.00 0.00 C ATOM 594 OD1 ASP A 41 -5.068 -8.330 8.471 1.00 0.00 O ATOM 595 OD2 ASP A 41 -6.795 -8.736 9.819 1.00 0.00 O ATOM 0 H ASP A 41 -8.349 -5.426 6.431 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.845 -5.789 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.103 -7.205 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.481 -8.115 7.030 1.00 0.00 H new ATOM 600 N TRP A 42 -6.801 -6.641 4.918 1.00 0.00 N ATOM 601 CA TRP A 42 -6.337 -6.965 3.580 1.00 0.00 C ATOM 602 C TRP A 42 -6.748 -5.824 2.647 1.00 0.00 C ATOM 603 O TRP A 42 -7.905 -5.406 2.643 1.00 0.00 O ATOM 604 CB TRP A 42 -6.871 -8.326 3.129 1.00 0.00 C ATOM 605 CG TRP A 42 -6.216 -9.516 3.834 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.534 -10.050 5.021 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.109 -10.302 3.343 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.718 -11.118 5.330 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.824 -11.277 4.278 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.374 -10.194 2.150 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.800 -12.217 4.116 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.354 -11.141 2.003 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.054 -12.129 2.934 1.00 0.00 C ATOM 0 H TRP A 42 -7.810 -6.514 5.000 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.251 -7.057 3.561 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.946 -8.359 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.721 -8.426 2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.330 -9.689 5.656 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.762 -11.687 6.176 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.580 -9.440 1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.596 -12.970 4.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.758 -11.101 1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.250 -12.825 2.747 1.00 0.00 H new ATOM 624 N TRP A 43 -5.777 -5.351 1.880 1.00 0.00 N ATOM 625 CA TRP A 43 -6.023 -4.266 0.945 1.00 0.00 C ATOM 626 C TRP A 43 -5.872 -4.820 -0.473 1.00 0.00 C ATOM 627 O TRP A 43 -5.250 -5.862 -0.673 1.00 0.00 O ATOM 628 CB TRP A 43 -5.098 -3.080 1.225 1.00 0.00 C ATOM 629 CG TRP A 43 -5.369 -2.381 2.559 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.266 -2.713 3.497 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.697 -1.209 3.067 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.222 -1.844 4.569 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.238 -0.901 4.299 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.667 -0.435 2.505 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.812 0.186 5.073 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.253 0.648 3.290 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.787 0.971 4.532 1.00 0.00 C ATOM 0 H TRP A 43 -4.818 -5.699 1.887 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.035 -3.879 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.065 -3.427 1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.201 -2.354 0.419 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.939 -3.555 3.424 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.805 -1.886 5.405 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.229 -0.658 1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.251 0.406 6.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.464 1.276 2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.412 1.824 5.078 1.00 0.00 H new ATOM 648 N TRP A 44 -6.451 -4.098 -1.421 1.00 0.00 N ATOM 649 CA TRP A 44 -6.388 -4.505 -2.815 1.00 0.00 C ATOM 650 C TRP A 44 -5.418 -3.568 -3.537 1.00 0.00 C ATOM 651 O TRP A 44 -5.732 -2.402 -3.770 1.00 0.00 O ATOM 652 CB TRP A 44 -7.783 -4.522 -3.444 1.00 0.00 C ATOM 653 CG TRP A 44 -7.777 -4.685 -4.965 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.814 -3.724 -5.899 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.729 -5.929 -5.696 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.794 -4.255 -7.172 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.741 -5.638 -7.045 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.678 -7.255 -5.233 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.703 -6.622 -8.041 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.641 -8.226 -6.241 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.652 -7.950 -7.603 1.00 0.00 C ATOM 0 H TRP A 44 -6.966 -3.234 -1.252 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.016 -5.526 -2.903 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.359 -5.336 -3.004 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.296 -3.595 -3.190 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.854 -2.667 -5.682 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.814 -3.729 -8.046 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.668 -7.505 -4.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.713 -6.369 -9.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.601 -9.262 -5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.621 -8.757 -8.320 1.00 0.00 H new ATOM 672 N GLY A 45 -4.257 -4.114 -3.872 1.00 0.00 N ATOM 673 CA GLY A 45 -3.239 -3.342 -4.563 1.00 0.00 C ATOM 674 C GLY A 45 -3.164 -3.732 -6.040 1.00 0.00 C ATOM 675 O GLY A 45 -3.840 -4.662 -6.476 1.00 0.00 O ATOM 0 H GLY A 45 -4.000 -5.082 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.462 -2.279 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.270 -3.505 -4.090 1.00 0.00 H new ATOM 679 N GLU A 46 -2.335 -3.000 -6.771 1.00 0.00 N ATOM 680 CA GLU A 46 -2.163 -3.258 -8.191 1.00 0.00 C ATOM 681 C GLU A 46 -0.724 -2.955 -8.614 1.00 0.00 C ATOM 682 O GLU A 46 -0.256 -1.827 -8.471 1.00 0.00 O ATOM 683 CB GLU A 46 -3.161 -2.448 -9.020 1.00 0.00 C ATOM 684 CG GLU A 46 -2.902 -2.626 -10.517 1.00 0.00 C ATOM 685 CD GLU A 46 -3.585 -1.523 -11.328 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.784 -1.702 -11.631 1.00 0.00 O ATOM 687 OE2 GLU A 46 -2.893 -0.526 -11.625 1.00 0.00 O ATOM 0 H GLU A 46 -1.776 -2.229 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.361 -4.314 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.177 -2.764 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.086 -1.393 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.829 -2.611 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.270 -3.600 -10.840 1.00 0.00 H new ATOM 694 N ARG A 47 -0.063 -3.983 -9.126 1.00 0.00 N ATOM 695 CA ARG A 47 1.313 -3.841 -9.572 1.00 0.00 C ATOM 696 C ARG A 47 1.356 -3.522 -11.067 1.00 0.00 C ATOM 697 O ARG A 47 0.315 -3.350 -11.700 1.00 0.00 O ATOM 698 CB ARG A 47 2.112 -5.118 -9.306 1.00 0.00 C ATOM 699 CG ARG A 47 2.639 -5.147 -7.870 1.00 0.00 C ATOM 700 CD ARG A 47 4.154 -4.933 -7.837 1.00 0.00 C ATOM 701 NE ARG A 47 4.482 -3.761 -6.996 1.00 0.00 N ATOM 702 CZ ARG A 47 4.417 -2.491 -7.419 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.035 -2.222 -8.675 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.733 -1.490 -6.586 1.00 0.00 N ATOM 0 H ARG A 47 -0.455 -4.918 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 47 1.761 -3.022 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.481 -5.989 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.946 -5.181 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.146 -4.373 -7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.393 -6.103 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.647 -5.822 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.530 -4.781 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 47 4.776 -3.930 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.794 -2.984 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.985 -1.255 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.023 -1.695 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.683 -0.523 -6.908 1.00 0.00 H new ATOM 718 N ALA A 48 2.572 -3.453 -11.590 1.00 0.00 N ATOM 719 CA ALA A 48 2.765 -3.157 -13.000 1.00 0.00 C ATOM 720 C ALA A 48 2.028 -4.202 -13.840 1.00 0.00 C ATOM 721 O ALA A 48 2.500 -5.328 -13.990 1.00 0.00 O ATOM 722 CB ALA A 48 4.262 -3.109 -13.311 1.00 0.00 C ATOM 0 H ALA A 48 3.433 -3.597 -11.063 1.00 0.00 H new ATOM 0 HA ALA A 48 2.349 -2.181 -13.249 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.407 -2.887 -14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.734 -2.332 -12.709 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.713 -4.073 -13.077 1.00 0.00 H new ATOM 728 N GLY A 49 0.884 -3.792 -14.367 1.00 0.00 N ATOM 729 CA GLY A 49 0.078 -4.678 -15.189 1.00 0.00 C ATOM 730 C GLY A 49 -0.397 -5.890 -14.385 1.00 0.00 C ATOM 731 O GLY A 49 -0.948 -6.835 -14.947 1.00 0.00 O ATOM 0 H GLY A 49 0.496 -2.857 -14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.783 -4.135 -15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.660 -5.012 -16.048 1.00 0.00 H new ATOM 735 N CYS A 50 -0.166 -5.824 -13.082 1.00 0.00 N ATOM 736 CA CYS A 50 -0.563 -6.904 -12.195 1.00 0.00 C ATOM 737 C CYS A 50 -1.648 -6.378 -11.254 1.00 0.00 C ATOM 738 O CYS A 50 -1.752 -5.172 -11.032 1.00 0.00 O ATOM 739 CB CYS A 50 0.632 -7.474 -11.428 1.00 0.00 C ATOM 740 SG CYS A 50 1.221 -9.007 -12.236 1.00 0.00 S ATOM 0 H CYS A 50 0.291 -5.039 -12.619 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.962 -7.732 -12.781 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.436 -6.739 -11.393 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.347 -7.683 -10.397 1.00 0.00 H new ATOM 0 HG CYS A 50 2.237 -9.481 -11.578 1.00 0.00 H new ATOM 746 N CYS A 51 -2.429 -7.308 -10.725 1.00 0.00 N ATOM 747 CA CYS A 51 -3.503 -6.953 -9.812 1.00 0.00 C ATOM 748 C CYS A 51 -3.682 -8.099 -8.813 1.00 0.00 C ATOM 749 O CYS A 51 -4.111 -9.190 -9.186 1.00 0.00 O ATOM 750 CB CYS A 51 -4.800 -6.639 -10.559 1.00 0.00 C ATOM 751 SG CYS A 51 -5.188 -7.987 -11.735 1.00 0.00 S ATOM 0 H CYS A 51 -2.340 -8.307 -10.911 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.241 -6.041 -9.275 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.618 -6.518 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.701 -5.695 -11.095 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.925 -9.134 -11.183 1.00 0.00 H new ATOM 757 N GLY A 52 -3.346 -7.811 -7.565 1.00 0.00 N ATOM 758 CA GLY A 52 -3.465 -8.803 -6.510 1.00 0.00 C ATOM 759 C GLY A 52 -3.796 -8.142 -5.170 1.00 0.00 C ATOM 760 O GLY A 52 -3.907 -6.920 -5.088 1.00 0.00 O ATOM 0 H GLY A 52 -2.991 -6.905 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.244 -9.521 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.533 -9.361 -6.424 1.00 0.00 H new ATOM 764 N TYR A 53 -3.944 -8.980 -4.154 1.00 0.00 N ATOM 765 CA TYR A 53 -4.260 -8.493 -2.823 1.00 0.00 C ATOM 766 C TYR A 53 -2.986 -8.245 -2.012 1.00 0.00 C ATOM 767 O TYR A 53 -1.982 -8.930 -2.204 1.00 0.00 O ATOM 768 CB TYR A 53 -5.072 -9.601 -2.149 1.00 0.00 C ATOM 769 CG TYR A 53 -6.585 -9.385 -2.203 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.178 -8.448 -1.381 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.358 -10.126 -3.074 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.603 -8.244 -1.432 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.782 -9.922 -3.125 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.334 -8.991 -2.301 1.00 0.00 C ATOM 775 OH TYR A 53 -10.680 -8.799 -2.349 1.00 0.00 O ATOM 0 H TYR A 53 -3.851 -9.993 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.805 -7.551 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.834 -10.552 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.764 -9.680 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.574 -7.868 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.894 -10.859 -3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.080 -7.514 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.398 -10.495 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.073 -9.401 -3.016 1.00 0.00 H new ATOM 785 N ILE A 54 -3.068 -7.266 -1.124 1.00 0.00 N ATOM 786 CA ILE A 54 -1.935 -6.920 -0.284 1.00 0.00 C ATOM 787 C ILE A 54 -2.410 -6.745 1.160 1.00 0.00 C ATOM 788 O ILE A 54 -3.559 -6.380 1.399 1.00 0.00 O ATOM 789 CB ILE A 54 -1.206 -5.697 -0.844 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.201 -4.653 -1.358 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.197 -6.104 -1.919 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.515 -3.304 -1.579 1.00 0.00 C ATOM 0 H ILE A 54 -3.903 -6.701 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.202 -7.727 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.643 -5.234 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.644 -4.997 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.015 -4.538 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.307 -5.216 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.540 -6.782 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.717 -6.604 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.244 -2.581 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.094 -2.951 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.717 -3.417 -2.313 1.00 0.00 H new ATOM 804 N PRO A 55 -1.476 -7.022 2.110 1.00 0.00 N ATOM 805 CA PRO A 55 -1.788 -6.899 3.523 1.00 0.00 C ATOM 806 C PRO A 55 -1.836 -5.430 3.949 1.00 0.00 C ATOM 807 O PRO A 55 -1.402 -4.550 3.206 1.00 0.00 O ATOM 808 CB PRO A 55 -0.702 -7.689 4.236 1.00 0.00 C ATOM 809 CG PRO A 55 0.433 -7.834 3.235 1.00 0.00 C ATOM 810 CD PRO A 55 -0.105 -7.457 1.863 1.00 0.00 C ATOM 0 HA PRO A 55 -2.775 -7.290 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.367 -7.170 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.072 -8.665 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.268 -7.189 3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.809 -8.857 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.487 -6.662 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.076 -8.305 1.179 1.00 0.00 H new ATOM 818 N ALA A 56 -2.366 -5.210 5.143 1.00 0.00 N ATOM 819 CA ALA A 56 -2.476 -3.862 5.676 1.00 0.00 C ATOM 820 C ALA A 56 -1.519 -3.707 6.860 1.00 0.00 C ATOM 821 O ALA A 56 -1.919 -3.869 8.011 1.00 0.00 O ATOM 822 CB ALA A 56 -3.930 -3.583 6.061 1.00 0.00 C ATOM 0 H ALA A 56 -2.724 -5.942 5.757 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.191 -3.127 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.013 -2.572 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.564 -3.678 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.250 -4.300 6.817 1.00 0.00 H new ATOM 828 N ASN A 57 -0.272 -3.395 6.535 1.00 0.00 N ATOM 829 CA ASN A 57 0.745 -3.217 7.557 1.00 0.00 C ATOM 830 C ASN A 57 2.116 -3.096 6.890 1.00 0.00 C ATOM 831 O ASN A 57 2.975 -2.350 7.359 1.00 0.00 O ATOM 832 CB ASN A 57 0.786 -4.414 8.509 1.00 0.00 C ATOM 833 CG ASN A 57 0.817 -3.954 9.968 1.00 0.00 C ATOM 834 OD1 ASN A 57 1.461 -2.982 10.325 1.00 0.00 O ATOM 835 ND2 ASN A 57 0.088 -4.706 10.788 1.00 0.00 N ATOM 0 H ASN A 57 0.056 -3.261 5.579 1.00 0.00 H new ATOM 0 HA ASN A 57 0.502 -2.317 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.086 -5.046 8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.666 -5.022 8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.044 -4.482 11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.428 -5.507 10.423 1.00 0.00 H new ATOM 842 N HIS A 58 2.280 -3.841 5.807 1.00 0.00 N ATOM 843 CA HIS A 58 3.532 -3.826 5.071 1.00 0.00 C ATOM 844 C HIS A 58 3.704 -2.473 4.377 1.00 0.00 C ATOM 845 O HIS A 58 4.828 -2.025 4.152 1.00 0.00 O ATOM 846 CB HIS A 58 3.604 -5.005 4.098 1.00 0.00 C ATOM 847 CG HIS A 58 4.210 -6.254 4.691 1.00 0.00 C ATOM 848 ND1 HIS A 58 3.481 -7.153 5.450 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.481 -6.745 4.627 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.287 -8.136 5.822 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.526 -7.882 5.312 1.00 0.00 N ATOM 0 H HIS A 58 1.566 -4.459 5.421 1.00 0.00 H new ATOM 0 HA HIS A 58 4.366 -3.949 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.598 -5.234 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.188 -4.709 3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.310 -6.287 4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.011 -8.989 6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.351 -8.469 5.436 1.00 0.00 H new ATOM 859 N VAL A 59 2.574 -1.860 4.058 1.00 0.00 N ATOM 860 CA VAL A 59 2.585 -0.567 3.395 1.00 0.00 C ATOM 861 C VAL A 59 2.294 0.530 4.420 1.00 0.00 C ATOM 862 O VAL A 59 1.525 0.321 5.357 1.00 0.00 O ATOM 863 CB VAL A 59 1.598 -0.570 2.226 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.113 -1.438 1.075 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.211 -1.029 2.680 1.00 0.00 C ATOM 0 H VAL A 59 1.644 -2.235 4.246 1.00 0.00 H new ATOM 0 HA VAL A 59 3.569 -0.363 2.972 1.00 0.00 H new ATOM 0 HB VAL A 59 1.509 0.453 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.393 -1.423 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.068 -1.048 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.245 -2.463 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.471 -1.022 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.276 -2.039 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.162 -0.353 3.450 1.00 0.00 H new