USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 593 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 Single : A 15 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00185) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= -2.14! (180deg=-5.35!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 27 TYR OH : rot 44:sc= -4! USER MOD Single : A 28 SER OG : rot 30:sc= 0.495 USER MOD Single : A 29 THR OG1 : rot 168:sc= -0.927 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 33 THR OG1 : rot -24:sc= 0.0993 USER MOD Single : A 34 SER OG : rot 10:sc= 0.981 USER MOD Single : A 36 THR OG1 : rot -111:sc= -0.948! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.599) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0311 (180deg=-0.334) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 46 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00232 USER MOD Single : A 57 GLN : amide:sc= -0.973 K(o=-0.97,f=-0.46) USER MOD Single : A 58 THR OG1 : rot 47:sc= 0.141 USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.393 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -1.64 (180deg=-2.88!) USER MOD Single : A 66 CYS SG : rot -60:sc= -14! USER MOD Single : A 68 ASN : amide:sc= -9.05! C(o=-9.1!,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 68:sc= -3.58! USER MOD Single : A 75 TYR OH : rot 122:sc= 1.16 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.832 -10.392 7.910 1.00 0.00 N ATOM 103 CA PHE A 13 4.595 -10.014 6.527 1.00 0.00 C ATOM 104 C PHE A 13 5.505 -10.800 5.580 1.00 0.00 C ATOM 105 O PHE A 13 5.031 -11.411 4.623 1.00 0.00 O ATOM 106 CB PHE A 13 4.921 -8.524 6.408 1.00 0.00 C ATOM 107 CG PHE A 13 5.425 -8.105 5.025 1.00 0.00 C ATOM 108 CD1 PHE A 13 4.539 -7.732 4.063 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.758 -8.106 4.759 1.00 0.00 C ATOM 110 CE1 PHE A 13 5.006 -7.344 2.780 1.00 0.00 C ATOM 111 CE2 PHE A 13 7.226 -7.717 3.475 1.00 0.00 C ATOM 112 CZ PHE A 13 6.340 -7.344 2.513 1.00 0.00 C ATOM 0 HA PHE A 13 3.561 -10.227 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.028 -7.947 6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.676 -8.267 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.480 -7.731 4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.461 -8.402 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.302 -7.049 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.285 -7.718 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.695 -7.048 1.537 1.00 0.00 H new ATOM 122 N ARG A 14 6.795 -10.758 5.880 1.00 0.00 N ATOM 123 CA ARG A 14 7.775 -11.459 5.067 1.00 0.00 C ATOM 124 C ARG A 14 7.474 -12.959 5.049 1.00 0.00 C ATOM 125 O ARG A 14 7.793 -13.647 4.081 1.00 0.00 O ATOM 126 CB ARG A 14 9.192 -11.236 5.600 1.00 0.00 C ATOM 127 CG ARG A 14 10.114 -12.390 5.203 1.00 0.00 C ATOM 128 CD ARG A 14 11.584 -12.008 5.392 1.00 0.00 C ATOM 129 NE ARG A 14 12.043 -11.187 4.250 1.00 0.00 N ATOM 130 CZ ARG A 14 13.295 -10.696 4.125 1.00 0.00 C ATOM 131 NH1 ARG A 14 14.224 -10.941 5.074 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.597 -9.974 3.062 1.00 0.00 N ATOM 0 H ARG A 14 7.184 -10.250 6.674 1.00 0.00 H new ATOM 0 HA ARG A 14 7.713 -11.061 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.588 -10.298 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.166 -11.144 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.883 -13.269 5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.936 -12.661 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.708 -11.454 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.195 -12.907 5.473 1.00 0.00 H new ATOM 0 HE ARG A 14 11.372 -10.979 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.982 -11.500 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.167 -10.567 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.889 -9.794 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.538 -9.596 2.953 1.00 0.00 H new ATOM 146 N LYS A 15 6.863 -13.421 6.130 1.00 0.00 N ATOM 147 CA LYS A 15 6.516 -14.827 6.250 1.00 0.00 C ATOM 148 C LYS A 15 5.681 -15.246 5.038 1.00 0.00 C ATOM 149 O LYS A 15 6.066 -16.150 4.298 1.00 0.00 O ATOM 150 CB LYS A 15 5.832 -15.097 7.591 1.00 0.00 C ATOM 151 CG LYS A 15 4.773 -16.193 7.456 1.00 0.00 C ATOM 152 CD LYS A 15 3.362 -15.603 7.520 1.00 0.00 C ATOM 153 CE LYS A 15 2.307 -16.676 7.245 1.00 0.00 C ATOM 154 NZ LYS A 15 2.175 -17.583 8.407 1.00 0.00 N ATOM 0 H LYS A 15 6.599 -12.847 6.931 1.00 0.00 H new ATOM 0 HA LYS A 15 7.415 -15.444 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.576 -15.395 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.368 -14.181 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.908 -16.720 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.901 -16.927 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.192 -15.164 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.267 -14.799 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.347 -16.205 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.584 -17.248 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.443 -18.295 8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.083 -18.059 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.906 -17.033 9.248 1.00 0.00 H new ATOM 168 N LYS A 16 4.554 -14.570 4.873 1.00 0.00 N ATOM 169 CA LYS A 16 3.662 -14.862 3.764 1.00 0.00 C ATOM 170 C LYS A 16 4.134 -14.104 2.522 1.00 0.00 C ATOM 171 O LYS A 16 3.962 -14.576 1.399 1.00 0.00 O ATOM 172 CB LYS A 16 2.211 -14.565 4.151 1.00 0.00 C ATOM 173 CG LYS A 16 1.239 -15.401 3.317 1.00 0.00 C ATOM 174 CD LYS A 16 0.839 -16.678 4.058 1.00 0.00 C ATOM 175 CE LYS A 16 1.429 -17.915 3.378 1.00 0.00 C ATOM 176 NZ LYS A 16 2.866 -18.050 3.704 1.00 0.00 N ATOM 0 H LYS A 16 4.238 -13.821 5.489 1.00 0.00 H new ATOM 0 HA LYS A 16 3.692 -15.924 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.063 -14.777 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.002 -13.505 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.349 -14.813 3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.701 -15.659 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.185 -16.627 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.248 -16.759 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.891 -18.806 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.301 -17.840 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.432 -17.901 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.128 -17.341 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.049 -19.003 4.079 1.00 0.00 H new ATOM 190 N PHE A 17 4.721 -12.941 2.765 1.00 0.00 N ATOM 191 CA PHE A 17 5.220 -12.113 1.680 1.00 0.00 C ATOM 192 C PHE A 17 6.658 -12.491 1.318 1.00 0.00 C ATOM 193 O PHE A 17 7.432 -11.647 0.870 1.00 0.00 O ATOM 194 CB PHE A 17 5.196 -10.665 2.175 1.00 0.00 C ATOM 195 CG PHE A 17 3.800 -10.039 2.198 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.845 -10.535 3.030 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.514 -8.986 1.386 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.550 -9.954 3.051 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.218 -8.405 1.407 1.00 0.00 C ATOM 200 CZ PHE A 17 1.264 -8.901 2.239 1.00 0.00 C ATOM 0 H PHE A 17 4.862 -12.553 3.698 1.00 0.00 H new ATOM 0 HA PHE A 17 4.602 -12.251 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.616 -10.628 3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.843 -10.063 1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.072 -11.371 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.272 -8.592 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.792 -10.348 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.990 -7.569 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.279 -8.459 2.255 1.00 0.00 H new ATOM 210 N LYS A 18 6.971 -13.762 1.526 1.00 0.00 N ATOM 211 CA LYS A 18 8.302 -14.263 1.227 1.00 0.00 C ATOM 212 C LYS A 18 8.849 -13.541 -0.007 1.00 0.00 C ATOM 213 O LYS A 18 9.910 -13.894 -0.518 1.00 0.00 O ATOM 214 CB LYS A 18 8.283 -15.786 1.089 1.00 0.00 C ATOM 215 CG LYS A 18 9.060 -16.450 2.228 1.00 0.00 C ATOM 216 CD LYS A 18 10.567 -16.391 1.971 1.00 0.00 C ATOM 217 CE LYS A 18 11.352 -16.820 3.212 1.00 0.00 C ATOM 218 NZ LYS A 18 12.562 -15.984 3.375 1.00 0.00 N ATOM 0 H LYS A 18 6.326 -14.459 1.898 1.00 0.00 H new ATOM 0 HA LYS A 18 8.983 -14.049 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.253 -16.142 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.718 -16.073 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.828 -15.952 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.745 -17.489 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.822 -17.039 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.852 -15.378 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.721 -16.733 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.636 -17.869 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.083 -16.289 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.171 -16.087 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.284 -14.987 3.480 1.00 0.00 H new ATOM 232 N TYR A 19 8.099 -12.542 -0.449 1.00 0.00 N ATOM 233 CA TYR A 19 8.495 -11.767 -1.612 1.00 0.00 C ATOM 234 C TYR A 19 9.783 -10.987 -1.339 1.00 0.00 C ATOM 235 O TYR A 19 9.841 -10.182 -0.411 1.00 0.00 O ATOM 236 CB TYR A 19 7.358 -10.776 -1.866 1.00 0.00 C ATOM 237 CG TYR A 19 7.825 -9.407 -2.365 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.583 -9.313 -3.514 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.487 -8.266 -1.666 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.023 -8.025 -3.983 1.00 0.00 C ATOM 241 CE2 TYR A 19 7.927 -6.977 -2.135 1.00 0.00 C ATOM 242 CZ TYR A 19 8.673 -6.920 -3.271 1.00 0.00 C ATOM 243 OH TYR A 19 9.088 -5.704 -3.714 1.00 0.00 O ATOM 0 H TYR A 19 7.219 -12.252 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 19 8.678 -12.421 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.674 -11.204 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.794 -10.642 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.846 -10.206 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.893 -8.340 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.618 -7.938 -4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.670 -6.076 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 19 8.763 -5.006 -3.107 1.00 0.00 H new ATOM 253 N ASP A 20 10.785 -11.254 -2.165 1.00 0.00 N ATOM 254 CA ASP A 20 12.068 -10.588 -2.024 1.00 0.00 C ATOM 255 C ASP A 20 12.166 -9.457 -3.050 1.00 0.00 C ATOM 256 O ASP A 20 12.494 -9.693 -4.211 1.00 0.00 O ATOM 257 CB ASP A 20 13.223 -11.558 -2.280 1.00 0.00 C ATOM 258 CG ASP A 20 13.648 -12.391 -1.068 1.00 0.00 C ATOM 259 OD1 ASP A 20 12.827 -13.232 -0.642 1.00 0.00 O ATOM 260 OD2 ASP A 20 14.783 -12.168 -0.596 1.00 0.00 O ATOM 0 H ASP A 20 10.733 -11.922 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 20 12.138 -10.203 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.938 -12.235 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.084 -10.990 -2.631 1.00 0.00 H new ATOM 265 N GLY A 21 11.875 -8.251 -2.583 1.00 0.00 N ATOM 266 CA GLY A 21 11.925 -7.083 -3.445 1.00 0.00 C ATOM 267 C GLY A 21 12.315 -5.833 -2.652 1.00 0.00 C ATOM 268 O GLY A 21 12.721 -5.929 -1.495 1.00 0.00 O ATOM 0 H GLY A 21 11.604 -8.058 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.645 -7.249 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.953 -6.931 -3.915 1.00 0.00 H new ATOM 272 N GLU A 22 12.178 -4.689 -3.307 1.00 0.00 N ATOM 273 CA GLU A 22 12.511 -3.423 -2.678 1.00 0.00 C ATOM 274 C GLU A 22 11.237 -2.694 -2.245 1.00 0.00 C ATOM 275 O GLU A 22 10.643 -1.956 -3.030 1.00 0.00 O ATOM 276 CB GLU A 22 13.351 -2.550 -3.613 1.00 0.00 C ATOM 277 CG GLU A 22 13.665 -1.199 -2.967 1.00 0.00 C ATOM 278 CD GLU A 22 14.001 -0.149 -4.028 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.041 0.367 -4.640 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.211 0.113 -4.203 1.00 0.00 O ATOM 0 H GLU A 22 11.841 -4.613 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 22 13.109 -3.627 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.280 -3.064 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.815 -2.394 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.810 -0.866 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.503 -1.307 -2.279 1.00 0.00 H new ATOM 287 N ILE A 23 10.854 -2.927 -0.998 1.00 0.00 N ATOM 288 CA ILE A 23 9.662 -2.302 -0.452 1.00 0.00 C ATOM 289 C ILE A 23 9.907 -0.801 -0.290 1.00 0.00 C ATOM 290 O ILE A 23 10.648 -0.381 0.597 1.00 0.00 O ATOM 291 CB ILE A 23 9.236 -2.999 0.841 1.00 0.00 C ATOM 292 CG1 ILE A 23 7.989 -3.857 0.618 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.040 -1.986 1.971 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.815 -4.876 1.746 1.00 0.00 C ATOM 0 H ILE A 23 11.349 -3.540 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 23 8.823 -2.416 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 23 10.038 -3.671 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.108 -3.217 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.067 -4.376 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.737 -2.508 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.976 -1.457 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.267 -1.271 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.921 -5.473 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.686 -5.530 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.713 -4.353 2.697 1.00 0.00 H new ATOM 306 N ARG A 24 9.270 -0.032 -1.161 1.00 0.00 N ATOM 307 CA ARG A 24 9.409 1.414 -1.125 1.00 0.00 C ATOM 308 C ARG A 24 8.197 2.080 -1.778 1.00 0.00 C ATOM 309 O ARG A 24 7.952 1.901 -2.970 1.00 0.00 O ATOM 310 CB ARG A 24 10.680 1.863 -1.849 1.00 0.00 C ATOM 311 CG ARG A 24 10.894 3.370 -1.699 1.00 0.00 C ATOM 312 CD ARG A 24 10.649 4.094 -3.024 1.00 0.00 C ATOM 313 NE ARG A 24 11.128 5.491 -2.934 1.00 0.00 N ATOM 314 CZ ARG A 24 12.426 5.853 -3.020 1.00 0.00 C ATOM 315 NH1 ARG A 24 13.387 4.922 -3.200 1.00 0.00 N ATOM 316 NH2 ARG A 24 12.741 7.131 -2.926 1.00 0.00 N ATOM 0 H ARG A 24 8.656 -0.383 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 24 9.474 1.715 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.540 1.328 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.611 1.605 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.221 3.762 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.911 3.564 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.165 3.575 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.586 4.080 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 24 10.434 6.227 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.135 3.936 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.365 5.204 -3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.009 7.828 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.717 7.422 -2.989 1.00 0.00 H new ATOM 330 N VAL A 25 7.469 2.836 -0.969 1.00 0.00 N ATOM 331 CA VAL A 25 6.288 3.530 -1.452 1.00 0.00 C ATOM 332 C VAL A 25 6.707 4.588 -2.476 1.00 0.00 C ATOM 333 O VAL A 25 7.151 5.673 -2.105 1.00 0.00 O ATOM 334 CB VAL A 25 5.505 4.114 -0.275 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.222 4.796 -0.754 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.198 3.037 0.768 1.00 0.00 C ATOM 0 H VAL A 25 7.675 2.983 0.019 1.00 0.00 H new ATOM 0 HA VAL A 25 5.617 2.835 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 25 6.129 4.871 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.684 5.202 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.474 5.604 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.592 4.068 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.641 3.479 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.603 2.247 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.131 2.617 1.143 1.00 0.00 H new ATOM 346 N LEU A 26 6.550 4.234 -3.743 1.00 0.00 N ATOM 347 CA LEU A 26 6.906 5.139 -4.822 1.00 0.00 C ATOM 348 C LEU A 26 5.690 5.993 -5.188 1.00 0.00 C ATOM 349 O LEU A 26 5.795 7.213 -5.300 1.00 0.00 O ATOM 350 CB LEU A 26 7.490 4.361 -6.003 1.00 0.00 C ATOM 351 CG LEU A 26 8.503 5.114 -6.867 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.450 4.635 -8.319 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.303 6.627 -6.755 1.00 0.00 C ATOM 0 H LEU A 26 6.181 3.333 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 26 7.691 5.824 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.969 3.461 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.668 4.037 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 26 9.502 4.893 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.180 5.187 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.680 3.570 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.452 4.806 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.036 7.138 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.298 6.887 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.432 6.935 -5.717 1.00 0.00 H new ATOM 365 N TYR A 27 4.564 5.317 -5.365 1.00 0.00 N ATOM 366 CA TYR A 27 3.330 5.998 -5.716 1.00 0.00 C ATOM 367 C TYR A 27 2.202 5.618 -4.755 1.00 0.00 C ATOM 368 O TYR A 27 1.436 4.694 -5.026 1.00 0.00 O ATOM 369 CB TYR A 27 2.969 5.518 -7.123 1.00 0.00 C ATOM 370 CG TYR A 27 2.588 4.038 -7.197 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.572 3.071 -7.183 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.260 3.671 -7.278 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.213 1.678 -7.253 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.901 2.278 -7.348 1.00 0.00 C ATOM 375 CZ TYR A 27 1.896 1.351 -7.332 1.00 0.00 C ATOM 376 OH TYR A 27 1.557 0.035 -7.398 1.00 0.00 O ATOM 0 H TYR A 27 4.481 4.305 -5.272 1.00 0.00 H new ATOM 0 HA TYR A 27 3.460 7.079 -5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.138 6.116 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.815 5.698 -7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.611 3.359 -7.120 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.490 4.428 -7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.973 0.911 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.134 1.977 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 27 2.085 -0.472 -6.746 1.00 0.00 H new ATOM 386 N SER A 28 2.134 6.350 -3.653 1.00 0.00 N ATOM 387 CA SER A 28 1.111 6.101 -2.651 1.00 0.00 C ATOM 388 C SER A 28 -0.254 6.556 -3.172 1.00 0.00 C ATOM 389 O SER A 28 -0.501 7.752 -3.313 1.00 0.00 O ATOM 390 CB SER A 28 1.442 6.813 -1.338 1.00 0.00 C ATOM 391 OG SER A 28 1.595 8.219 -1.517 1.00 0.00 O ATOM 0 H SER A 28 2.770 7.116 -3.432 1.00 0.00 H new ATOM 0 HA SER A 28 1.079 5.029 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.650 6.624 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.360 6.398 -0.922 1.00 0.00 H new ATOM 0 HG SER A 28 1.026 8.518 -2.257 1.00 0.00 H new ATOM 397 N THR A 29 -1.104 5.576 -3.443 1.00 0.00 N ATOM 398 CA THR A 29 -2.437 5.860 -3.945 1.00 0.00 C ATOM 399 C THR A 29 -3.415 6.048 -2.784 1.00 0.00 C ATOM 400 O THR A 29 -3.143 5.622 -1.663 1.00 0.00 O ATOM 401 CB THR A 29 -2.835 4.731 -4.898 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.649 5.372 -5.876 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.771 3.714 -4.241 1.00 0.00 C ATOM 0 H THR A 29 -0.895 4.585 -3.324 1.00 0.00 H new ATOM 0 HA THR A 29 -2.458 6.797 -4.502 1.00 0.00 H new ATOM 0 HB THR A 29 -1.939 4.223 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.791 4.765 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.023 2.934 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.275 3.267 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.682 4.216 -3.915 1.00 0.00 H new ATOM 411 N LYS A 30 -4.535 6.687 -3.092 1.00 0.00 N ATOM 412 CA LYS A 30 -5.555 6.937 -2.088 1.00 0.00 C ATOM 413 C LYS A 30 -6.668 5.897 -2.229 1.00 0.00 C ATOM 414 O LYS A 30 -7.088 5.578 -3.341 1.00 0.00 O ATOM 415 CB LYS A 30 -6.049 8.382 -2.174 1.00 0.00 C ATOM 416 CG LYS A 30 -6.575 8.863 -0.820 1.00 0.00 C ATOM 417 CD LYS A 30 -8.073 9.166 -0.890 1.00 0.00 C ATOM 418 CE LYS A 30 -8.339 10.661 -0.701 1.00 0.00 C ATOM 419 NZ LYS A 30 -8.349 11.008 0.738 1.00 0.00 N ATOM 0 H LYS A 30 -4.758 7.039 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.139 6.826 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.236 9.029 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.838 8.456 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.389 8.102 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.033 9.757 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.469 8.841 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.599 8.599 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.573 11.241 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.295 10.926 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.531 12.026 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.096 10.469 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.427 10.774 1.158 1.00 0.00 H new ATOM 433 N VAL A 31 -7.116 5.397 -1.087 1.00 0.00 N ATOM 434 CA VAL A 31 -8.172 4.400 -1.069 1.00 0.00 C ATOM 435 C VAL A 31 -9.502 5.066 -1.427 1.00 0.00 C ATOM 436 O VAL A 31 -9.930 6.006 -0.759 1.00 0.00 O ATOM 437 CB VAL A 31 -8.204 3.695 0.289 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.787 2.286 0.161 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.810 3.657 0.919 1.00 0.00 C ATOM 0 H VAL A 31 -6.766 5.664 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.982 3.629 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.855 4.268 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.799 1.807 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.804 2.347 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.174 1.699 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.860 3.151 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.128 3.118 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.447 4.675 1.062 1.00 0.00 H new ATOM 449 N THR A 32 -10.120 4.552 -2.482 1.00 0.00 N ATOM 450 CA THR A 32 -11.392 5.086 -2.937 1.00 0.00 C ATOM 451 C THR A 32 -12.525 4.614 -2.023 1.00 0.00 C ATOM 452 O THR A 32 -12.293 3.864 -1.077 1.00 0.00 O ATOM 453 CB THR A 32 -11.580 4.677 -4.399 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.676 5.472 -4.844 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.080 3.238 -4.545 1.00 0.00 C ATOM 0 H THR A 32 -9.763 3.772 -3.034 1.00 0.00 H new ATOM 0 HA THR A 32 -11.406 6.175 -2.885 1.00 0.00 H new ATOM 0 HB THR A 32 -10.635 4.789 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.865 5.272 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.197 2.999 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.359 2.555 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.041 3.134 -4.041 1.00 0.00 H new ATOM 463 N THR A 33 -13.727 5.074 -2.339 1.00 0.00 N ATOM 464 CA THR A 33 -14.897 4.709 -1.559 1.00 0.00 C ATOM 465 C THR A 33 -15.402 3.324 -1.970 1.00 0.00 C ATOM 466 O THR A 33 -16.183 2.705 -1.250 1.00 0.00 O ATOM 467 CB THR A 33 -15.943 5.812 -1.730 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.997 5.432 -0.849 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.591 5.794 -3.116 1.00 0.00 C ATOM 0 H THR A 33 -13.916 5.696 -3.125 1.00 0.00 H new ATOM 0 HA THR A 33 -14.656 4.631 -0.499 1.00 0.00 H new ATOM 0 HB THR A 33 -15.478 6.783 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.967 4.464 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.325 6.597 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.825 5.937 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.085 4.835 -3.274 1.00 0.00 H new ATOM 477 N SER A 34 -14.934 2.879 -3.128 1.00 0.00 N ATOM 478 CA SER A 34 -15.328 1.579 -3.643 1.00 0.00 C ATOM 479 C SER A 34 -14.289 0.526 -3.256 1.00 0.00 C ATOM 480 O SER A 34 -14.294 -0.582 -3.791 1.00 0.00 O ATOM 481 CB SER A 34 -15.503 1.619 -5.163 1.00 0.00 C ATOM 482 OG SER A 34 -15.392 0.325 -5.748 1.00 0.00 O ATOM 0 H SER A 34 -14.286 3.396 -3.723 1.00 0.00 H new ATOM 0 HA SER A 34 -16.288 1.312 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.477 2.043 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.752 2.279 -5.597 1.00 0.00 H new ATOM 0 HG SER A 34 -15.383 -0.354 -5.041 1.00 0.00 H new ATOM 488 N ILE A 35 -13.422 0.908 -2.330 1.00 0.00 N ATOM 489 CA ILE A 35 -12.379 0.010 -1.865 1.00 0.00 C ATOM 490 C ILE A 35 -13.008 -1.107 -1.030 1.00 0.00 C ATOM 491 O ILE A 35 -14.197 -1.060 -0.719 1.00 0.00 O ATOM 492 CB ILE A 35 -11.289 0.791 -1.127 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.906 0.474 -1.698 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.359 0.537 0.380 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.113 -0.425 -0.748 1.00 0.00 C ATOM 0 H ILE A 35 -13.421 1.828 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.881 -0.465 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.465 1.855 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.012 -0.017 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.358 1.401 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.574 1.103 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.332 0.853 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.221 -0.526 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.134 -0.635 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.988 0.079 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.652 -1.361 -0.598 1.00 0.00 H new ATOM 507 N THR A 36 -12.182 -2.086 -0.691 1.00 0.00 N ATOM 508 CA THR A 36 -12.642 -3.213 0.102 1.00 0.00 C ATOM 509 C THR A 36 -12.939 -2.770 1.536 1.00 0.00 C ATOM 510 O THR A 36 -12.044 -2.315 2.247 1.00 0.00 O ATOM 511 CB THR A 36 -11.586 -4.316 0.013 1.00 0.00 C ATOM 512 OG1 THR A 36 -11.997 -5.269 0.990 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.212 -3.852 0.500 1.00 0.00 C ATOM 0 H THR A 36 -11.196 -2.122 -0.951 1.00 0.00 H new ATOM 0 HA THR A 36 -13.581 -3.611 -0.283 1.00 0.00 H new ATOM 0 HB THR A 36 -11.508 -4.661 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.360 -5.269 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.500 -4.673 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.874 -3.014 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.282 -3.538 1.541 1.00 0.00 H new ATOM 521 N SER A 37 -14.199 -2.918 1.918 1.00 0.00 N ATOM 522 CA SER A 37 -14.625 -2.539 3.255 1.00 0.00 C ATOM 523 C SER A 37 -15.168 -3.762 3.998 1.00 0.00 C ATOM 524 O SER A 37 -15.107 -3.824 5.225 1.00 0.00 O ATOM 525 CB SER A 37 -15.685 -1.437 3.203 1.00 0.00 C ATOM 526 OG SER A 37 -16.909 -1.843 3.809 1.00 0.00 O ATOM 0 H SER A 37 -14.939 -3.295 1.325 1.00 0.00 H new ATOM 0 HA SER A 37 -13.760 -2.150 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.308 -0.548 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.869 -1.160 2.165 1.00 0.00 H new ATOM 0 HG SER A 37 -17.559 -1.111 3.757 1.00 0.00 H new ATOM 532 N LYS A 38 -15.685 -4.704 3.223 1.00 0.00 N ATOM 533 CA LYS A 38 -16.238 -5.921 3.792 1.00 0.00 C ATOM 534 C LYS A 38 -15.254 -7.073 3.575 1.00 0.00 C ATOM 535 O LYS A 38 -14.952 -7.819 4.505 1.00 0.00 O ATOM 536 CB LYS A 38 -17.634 -6.191 3.228 1.00 0.00 C ATOM 537 CG LYS A 38 -17.564 -7.111 2.008 1.00 0.00 C ATOM 538 CD LYS A 38 -18.966 -7.473 1.513 1.00 0.00 C ATOM 539 CE LYS A 38 -19.515 -6.390 0.583 1.00 0.00 C ATOM 540 NZ LYS A 38 -18.731 -6.336 -0.671 1.00 0.00 N ATOM 0 H LYS A 38 -15.733 -4.649 2.206 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.370 -5.812 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.259 -6.647 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.107 -5.249 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.008 -6.620 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.019 -8.020 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.935 -8.427 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.635 -7.600 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.561 -6.594 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.480 -5.422 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.325 -5.957 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.904 -5.720 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.412 -7.293 -0.923 1.00 0.00 H new ATOM 554 N LYS A 39 -14.781 -7.180 2.342 1.00 0.00 N ATOM 555 CA LYS A 39 -13.838 -8.228 1.991 1.00 0.00 C ATOM 556 C LYS A 39 -12.508 -7.971 2.703 1.00 0.00 C ATOM 557 O LYS A 39 -11.920 -6.900 2.558 1.00 0.00 O ATOM 558 CB LYS A 39 -13.709 -8.347 0.472 1.00 0.00 C ATOM 559 CG LYS A 39 -13.915 -9.792 0.015 1.00 0.00 C ATOM 560 CD LYS A 39 -15.389 -10.193 0.109 1.00 0.00 C ATOM 561 CE LYS A 39 -16.204 -9.551 -1.016 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.844 -10.148 -2.322 1.00 0.00 N ATOM 0 H LYS A 39 -15.033 -6.558 1.574 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.201 -9.197 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.443 -7.701 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.724 -8.000 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.569 -9.905 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.313 -10.461 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.479 -11.278 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.792 -9.888 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.268 -9.690 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.022 -8.477 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.605 -9.969 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.960 -9.722 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.713 -11.174 -2.211 1.00 0.00 H new ATOM 576 N TRP A 40 -12.073 -8.970 3.457 1.00 0.00 N ATOM 577 CA TRP A 40 -10.824 -8.865 4.191 1.00 0.00 C ATOM 578 C TRP A 40 -10.153 -10.239 4.182 1.00 0.00 C ATOM 579 O TRP A 40 -10.793 -11.248 4.475 1.00 0.00 O ATOM 580 CB TRP A 40 -11.062 -8.325 5.603 1.00 0.00 C ATOM 581 CG TRP A 40 -11.559 -6.878 5.641 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.533 -6.360 6.401 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.062 -5.778 4.850 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.701 -5.012 6.159 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.777 -4.646 5.186 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.042 -5.739 3.884 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.550 -3.394 4.603 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.826 -4.480 3.310 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.538 -3.332 3.637 1.00 0.00 C ATOM 0 H TRP A 40 -12.564 -9.856 3.575 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.155 -8.148 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.790 -8.962 6.106 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.133 -8.394 6.169 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.114 -6.926 7.114 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.378 -4.397 6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.470 -6.612 3.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.124 -2.523 4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.052 -4.395 2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.312 -2.396 3.148 1.00 0.00 H new ATOM 600 N GLY A 41 -8.872 -10.235 3.843 1.00 0.00 N ATOM 601 CA GLY A 41 -8.108 -11.470 3.791 1.00 0.00 C ATOM 602 C GLY A 41 -6.935 -11.429 4.773 1.00 0.00 C ATOM 603 O GLY A 41 -6.513 -10.355 5.197 1.00 0.00 O ATOM 0 H GLY A 41 -8.344 -9.396 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.756 -12.314 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.735 -11.629 2.779 1.00 0.00 H new ATOM 607 N THR A 42 -6.442 -12.613 5.105 1.00 0.00 N ATOM 608 CA THR A 42 -5.326 -12.727 6.029 1.00 0.00 C ATOM 609 C THR A 42 -4.128 -11.923 5.520 1.00 0.00 C ATOM 610 O THR A 42 -3.394 -11.329 6.308 1.00 0.00 O ATOM 611 CB THR A 42 -5.022 -14.213 6.223 1.00 0.00 C ATOM 612 OG1 THR A 42 -5.139 -14.765 4.915 1.00 0.00 O ATOM 613 CG2 THR A 42 -6.106 -14.932 7.029 1.00 0.00 C ATOM 0 H THR A 42 -6.795 -13.502 4.751 1.00 0.00 H new ATOM 0 HA THR A 42 -5.573 -12.302 7.002 1.00 0.00 H new ATOM 0 HB THR A 42 -4.062 -14.324 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.956 -15.727 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.841 -15.984 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.189 -14.475 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.061 -14.850 6.509 1.00 0.00 H new ATOM 621 N ARG A 43 -3.967 -11.931 4.204 1.00 0.00 N ATOM 622 CA ARG A 43 -2.871 -11.210 3.580 1.00 0.00 C ATOM 623 C ARG A 43 -3.344 -9.838 3.098 1.00 0.00 C ATOM 624 O ARG A 43 -2.605 -9.125 2.419 1.00 0.00 O ATOM 625 CB ARG A 43 -2.302 -11.992 2.394 1.00 0.00 C ATOM 626 CG ARG A 43 -1.019 -12.728 2.787 1.00 0.00 C ATOM 627 CD ARG A 43 -0.195 -13.091 1.550 1.00 0.00 C ATOM 628 NE ARG A 43 -0.674 -14.371 0.982 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.685 -14.474 0.093 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.334 -13.371 -0.337 1.00 0.00 N ATOM 631 NH2 ARG A 43 -2.030 -15.669 -0.349 1.00 0.00 N ATOM 0 H ARG A 43 -4.577 -12.425 3.553 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.088 -11.085 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.042 -12.709 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.096 -11.310 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.425 -12.102 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.270 -13.633 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.275 -12.300 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.859 -13.173 1.816 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.211 -15.229 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.062 -12.451 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.097 -13.457 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.535 -16.497 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.792 -15.764 -1.021 1.00 0.00 H new ATOM 645 N ASP A 44 -4.573 -9.508 3.466 1.00 0.00 N ATOM 646 CA ASP A 44 -5.154 -8.234 3.079 1.00 0.00 C ATOM 647 C ASP A 44 -5.148 -7.289 4.283 1.00 0.00 C ATOM 648 O ASP A 44 -4.994 -7.729 5.421 1.00 0.00 O ATOM 649 CB ASP A 44 -6.603 -8.405 2.620 1.00 0.00 C ATOM 650 CG ASP A 44 -6.929 -7.785 1.260 1.00 0.00 C ATOM 651 OD1 ASP A 44 -7.097 -6.547 1.226 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.001 -8.563 0.284 1.00 0.00 O ATOM 0 H ASP A 44 -5.183 -10.101 4.028 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.562 -7.829 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.832 -9.470 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.260 -7.964 3.370 1.00 0.00 H new ATOM 657 N LEU A 45 -5.319 -6.008 3.990 1.00 0.00 N ATOM 658 CA LEU A 45 -5.335 -4.998 5.035 1.00 0.00 C ATOM 659 C LEU A 45 -6.785 -4.659 5.388 1.00 0.00 C ATOM 660 O LEU A 45 -7.681 -4.810 4.559 1.00 0.00 O ATOM 661 CB LEU A 45 -4.504 -3.783 4.618 1.00 0.00 C ATOM 662 CG LEU A 45 -3.621 -3.169 5.706 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.432 -4.077 6.026 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.176 -1.757 5.319 1.00 0.00 C ATOM 0 H LEU A 45 -5.448 -5.647 3.045 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.866 -5.380 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.868 -4.073 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.182 -3.013 4.251 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.213 -3.082 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.821 -3.616 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.796 -5.043 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.831 -4.219 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.550 -1.343 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.608 -1.796 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.053 -1.124 5.182 1.00 0.00 H new ATOM 676 N GLN A 46 -6.970 -4.207 6.619 1.00 0.00 N ATOM 677 CA GLN A 46 -8.295 -3.845 7.092 1.00 0.00 C ATOM 678 C GLN A 46 -8.585 -2.374 6.786 1.00 0.00 C ATOM 679 O GLN A 46 -9.307 -1.712 7.530 1.00 0.00 O ATOM 680 CB GLN A 46 -8.441 -4.133 8.588 1.00 0.00 C ATOM 681 CG GLN A 46 -9.749 -3.555 9.132 1.00 0.00 C ATOM 682 CD GLN A 46 -10.287 -4.406 10.284 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.254 -4.022 11.442 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.783 -5.580 9.904 1.00 0.00 N ATOM 0 H GLN A 46 -6.224 -4.083 7.304 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.027 -4.457 6.565 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.416 -5.209 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.597 -3.704 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.584 -2.534 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.490 -3.507 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.780 -5.840 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.166 -6.221 10.599 1.00 0.00 H new ATOM 693 N VAL A 47 -8.008 -1.906 5.689 1.00 0.00 N ATOM 694 CA VAL A 47 -8.195 -0.526 5.275 1.00 0.00 C ATOM 695 C VAL A 47 -9.670 -0.294 4.940 1.00 0.00 C ATOM 696 O VAL A 47 -10.411 -1.245 4.695 1.00 0.00 O ATOM 697 CB VAL A 47 -7.259 -0.197 4.110 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.798 -0.436 4.497 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.634 -0.999 2.863 1.00 0.00 C ATOM 0 H VAL A 47 -7.410 -2.458 5.074 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.934 0.154 6.086 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.375 0.861 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.154 -0.195 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.538 0.198 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.661 -1.482 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.954 -0.747 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.561 -2.065 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.656 -0.758 2.569 1.00 0.00 H new ATOM 709 N LYS A 48 -10.052 0.974 4.942 1.00 0.00 N ATOM 710 CA LYS A 48 -11.425 1.343 4.641 1.00 0.00 C ATOM 711 C LYS A 48 -11.458 2.159 3.348 1.00 0.00 C ATOM 712 O LYS A 48 -10.463 2.780 2.976 1.00 0.00 O ATOM 713 CB LYS A 48 -12.062 2.057 5.835 1.00 0.00 C ATOM 714 CG LYS A 48 -13.162 1.199 6.464 1.00 0.00 C ATOM 715 CD LYS A 48 -12.563 0.048 7.276 1.00 0.00 C ATOM 716 CE LYS A 48 -12.157 0.517 8.674 1.00 0.00 C ATOM 717 NZ LYS A 48 -13.100 -0.003 9.690 1.00 0.00 N ATOM 0 H LYS A 48 -9.435 1.760 5.147 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.030 0.452 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.298 2.279 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.480 3.011 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.786 1.817 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.808 0.800 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.289 -0.761 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.693 -0.354 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.146 0.176 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.141 1.606 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.810 0.325 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.059 0.343 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.095 -1.043 9.668 1.00 0.00 H new ATOM 731 N PRO A 49 -12.642 2.131 2.680 1.00 0.00 N ATOM 732 CA PRO A 49 -12.818 2.861 1.436 1.00 0.00 C ATOM 733 C PRO A 49 -12.961 4.362 1.696 1.00 0.00 C ATOM 734 O PRO A 49 -13.810 4.781 2.481 1.00 0.00 O ATOM 735 CB PRO A 49 -14.052 2.250 0.792 1.00 0.00 C ATOM 736 CG PRO A 49 -14.788 1.525 1.907 1.00 0.00 C ATOM 737 CD PRO A 49 -13.842 1.406 3.091 1.00 0.00 C ATOM 0 HA PRO A 49 -11.956 2.777 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.681 3.020 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.776 1.561 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.687 2.073 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.108 0.538 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.278 1.839 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.617 0.363 3.315 1.00 0.00 H new ATOM 745 N GLY A 50 -12.117 5.130 1.023 1.00 0.00 N ATOM 746 CA GLY A 50 -12.139 6.575 1.171 1.00 0.00 C ATOM 747 C GLY A 50 -11.027 7.046 2.110 1.00 0.00 C ATOM 748 O GLY A 50 -11.059 8.175 2.599 1.00 0.00 O ATOM 0 H GLY A 50 -11.413 4.779 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.020 7.046 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.107 6.890 1.561 1.00 0.00 H new ATOM 752 N GLU A 51 -10.069 6.159 2.333 1.00 0.00 N ATOM 753 CA GLU A 51 -8.948 6.470 3.204 1.00 0.00 C ATOM 754 C GLU A 51 -7.653 6.552 2.394 1.00 0.00 C ATOM 755 O GLU A 51 -7.636 6.224 1.209 1.00 0.00 O ATOM 756 CB GLU A 51 -8.827 5.441 4.330 1.00 0.00 C ATOM 757 CG GLU A 51 -9.322 6.019 5.657 1.00 0.00 C ATOM 758 CD GLU A 51 -10.834 6.252 5.624 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.564 5.279 5.911 1.00 0.00 O ATOM 760 OE2 GLU A 51 -11.224 7.398 5.312 1.00 0.00 O ATOM 0 H GLU A 51 -10.046 5.224 1.925 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.128 7.442 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.405 4.552 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.788 5.128 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.073 5.337 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.810 6.959 5.862 1.00 0.00 H new ATOM 767 N SER A 52 -6.599 6.991 3.067 1.00 0.00 N ATOM 768 CA SER A 52 -5.302 7.121 2.424 1.00 0.00 C ATOM 769 C SER A 52 -4.380 5.986 2.874 1.00 0.00 C ATOM 770 O SER A 52 -4.253 5.720 4.068 1.00 0.00 O ATOM 771 CB SER A 52 -4.666 8.477 2.736 1.00 0.00 C ATOM 772 OG SER A 52 -3.878 8.437 3.923 1.00 0.00 O ATOM 0 H SER A 52 -6.617 7.261 4.050 1.00 0.00 H new ATOM 0 HA SER A 52 -5.446 7.058 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.042 8.786 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.449 9.228 2.846 1.00 0.00 H new ATOM 0 HG SER A 52 -3.488 9.321 4.087 1.00 0.00 H new ATOM 778 N LEU A 53 -3.760 5.346 1.893 1.00 0.00 N ATOM 779 CA LEU A 53 -2.853 4.246 2.173 1.00 0.00 C ATOM 780 C LEU A 53 -1.650 4.330 1.231 1.00 0.00 C ATOM 781 O LEU A 53 -1.784 4.755 0.084 1.00 0.00 O ATOM 782 CB LEU A 53 -3.595 2.910 2.106 1.00 0.00 C ATOM 783 CG LEU A 53 -3.376 2.083 0.837 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.893 1.762 0.642 1.00 0.00 C ATOM 785 CD2 LEU A 53 -4.239 0.821 0.849 1.00 0.00 C ATOM 0 H LEU A 53 -3.868 5.568 0.903 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.467 4.319 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.296 2.308 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.663 3.105 2.209 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.692 2.680 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.764 1.174 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.328 2.690 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.528 1.193 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.064 0.252 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.978 0.210 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.291 1.100 0.906 1.00 0.00 H new ATOM 797 N GLU A 54 -0.503 3.917 1.749 1.00 0.00 N ATOM 798 CA GLU A 54 0.722 3.940 0.968 1.00 0.00 C ATOM 799 C GLU A 54 0.760 2.751 0.005 1.00 0.00 C ATOM 800 O GLU A 54 0.555 1.609 0.415 1.00 0.00 O ATOM 801 CB GLU A 54 1.952 3.948 1.877 1.00 0.00 C ATOM 802 CG GLU A 54 2.579 5.343 1.940 1.00 0.00 C ATOM 803 CD GLU A 54 3.891 5.320 2.726 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.881 4.733 3.830 1.00 0.00 O ATOM 805 OE2 GLU A 54 4.874 5.890 2.206 1.00 0.00 O ATOM 0 H GLU A 54 -0.396 3.564 2.700 1.00 0.00 H new ATOM 0 HA GLU A 54 0.738 4.859 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.670 3.627 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.686 3.232 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.763 5.709 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.882 6.038 2.409 1.00 0.00 H new ATOM 812 N VAL A 55 1.024 3.060 -1.256 1.00 0.00 N ATOM 813 CA VAL A 55 1.091 2.031 -2.280 1.00 0.00 C ATOM 814 C VAL A 55 2.555 1.672 -2.540 1.00 0.00 C ATOM 815 O VAL A 55 3.377 2.549 -2.798 1.00 0.00 O ATOM 816 CB VAL A 55 0.357 2.497 -3.539 1.00 0.00 C ATOM 817 CG1 VAL A 55 0.894 1.785 -4.782 1.00 0.00 C ATOM 818 CG2 VAL A 55 -1.153 2.295 -3.400 1.00 0.00 C ATOM 0 H VAL A 55 1.194 4.008 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 55 0.588 1.124 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 55 0.542 3.564 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.355 2.134 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.956 2.003 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.754 0.709 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.651 2.634 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.366 1.238 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.520 2.869 -2.549 1.00 0.00 H new ATOM 828 N ILE A 56 2.837 0.379 -2.463 1.00 0.00 N ATOM 829 CA ILE A 56 4.187 -0.107 -2.686 1.00 0.00 C ATOM 830 C ILE A 56 4.346 -0.501 -4.156 1.00 0.00 C ATOM 831 O ILE A 56 3.871 0.203 -5.046 1.00 0.00 O ATOM 832 CB ILE A 56 4.519 -1.236 -1.708 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.080 -0.876 -0.287 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.004 -1.600 -1.774 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.878 -1.669 0.751 1.00 0.00 C ATOM 0 H ILE A 56 2.153 -0.346 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 56 4.913 0.681 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 56 3.957 -2.122 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.219 0.192 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.016 -1.082 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.213 -2.405 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.254 -1.927 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.604 -0.727 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.546 -1.394 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.718 -2.736 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.939 -1.442 0.645 1.00 0.00 H new ATOM 847 N GLN A 57 5.016 -1.625 -4.365 1.00 0.00 N ATOM 848 CA GLN A 57 5.243 -2.121 -5.712 1.00 0.00 C ATOM 849 C GLN A 57 4.161 -3.133 -6.095 1.00 0.00 C ATOM 850 O GLN A 57 3.552 -3.754 -5.225 1.00 0.00 O ATOM 851 CB GLN A 57 6.639 -2.734 -5.842 1.00 0.00 C ATOM 852 CG GLN A 57 7.708 -1.646 -5.958 1.00 0.00 C ATOM 853 CD GLN A 57 7.542 -0.852 -7.256 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.012 -1.236 -8.314 1.00 0.00 O ATOM 855 NE2 GLN A 57 6.850 0.275 -7.115 1.00 0.00 N ATOM 0 H GLN A 57 5.409 -2.206 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 57 5.186 -1.280 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.846 -3.361 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.676 -3.380 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.641 -0.972 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.699 -2.100 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.484 0.538 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.685 0.877 -7.922 1.00 0.00 H new ATOM 864 N THR A 58 3.955 -3.267 -7.397 1.00 0.00 N ATOM 865 CA THR A 58 2.958 -4.193 -7.905 1.00 0.00 C ATOM 866 C THR A 58 3.372 -5.637 -7.613 1.00 0.00 C ATOM 867 O THR A 58 4.433 -6.082 -8.047 1.00 0.00 O ATOM 868 CB THR A 58 2.763 -3.907 -9.395 1.00 0.00 C ATOM 869 OG1 THR A 58 4.083 -3.686 -9.882 1.00 0.00 O ATOM 870 CG2 THR A 58 2.046 -2.578 -9.647 1.00 0.00 C ATOM 0 H THR A 58 4.462 -2.750 -8.115 1.00 0.00 H new ATOM 0 HA THR A 58 2.000 -4.055 -7.404 1.00 0.00 H new ATOM 0 HB THR A 58 2.194 -4.719 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.678 -4.387 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.933 -2.423 -10.720 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.062 -2.601 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.632 -1.762 -9.223 1.00 0.00 H new ATOM 878 N THR A 59 2.512 -6.328 -6.878 1.00 0.00 N ATOM 879 CA THR A 59 2.776 -7.712 -6.523 1.00 0.00 C ATOM 880 C THR A 59 3.073 -8.537 -7.777 1.00 0.00 C ATOM 881 O THR A 59 4.225 -8.878 -8.041 1.00 0.00 O ATOM 882 CB THR A 59 1.579 -8.231 -5.724 1.00 0.00 C ATOM 883 OG1 THR A 59 1.907 -7.928 -4.371 1.00 0.00 O ATOM 884 CG2 THR A 59 1.475 -9.757 -5.749 1.00 0.00 C ATOM 0 H THR A 59 1.633 -5.955 -6.519 1.00 0.00 H new ATOM 0 HA THR A 59 3.665 -7.798 -5.898 1.00 0.00 H new ATOM 0 HB THR A 59 0.662 -7.798 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.492 -8.589 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.609 -10.072 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.364 -10.097 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.378 -10.190 -5.319 1.00 0.00 H new ATOM 892 N ASP A 60 2.014 -8.835 -8.515 1.00 0.00 N ATOM 893 CA ASP A 60 2.147 -9.613 -9.734 1.00 0.00 C ATOM 894 C ASP A 60 1.991 -8.690 -10.944 1.00 0.00 C ATOM 895 O ASP A 60 2.970 -8.119 -11.424 1.00 0.00 O ATOM 896 CB ASP A 60 1.064 -10.691 -9.820 1.00 0.00 C ATOM 897 CG ASP A 60 0.856 -11.289 -11.213 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.878 -11.473 -11.910 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.319 -11.549 -11.549 1.00 0.00 O ATOM 0 H ASP A 60 1.060 -8.551 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 60 3.129 -10.087 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.318 -11.496 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.120 -10.265 -9.479 1.00 0.00 H new ATOM 904 N ASP A 61 0.754 -8.570 -11.402 1.00 0.00 N ATOM 905 CA ASP A 61 0.458 -7.726 -12.547 1.00 0.00 C ATOM 906 C ASP A 61 -0.477 -6.595 -12.112 1.00 0.00 C ATOM 907 O ASP A 61 -0.150 -5.420 -12.270 1.00 0.00 O ATOM 908 CB ASP A 61 -0.243 -8.520 -13.651 1.00 0.00 C ATOM 909 CG ASP A 61 0.690 -9.128 -14.701 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.846 -8.660 -14.772 1.00 0.00 O ATOM 911 OD2 ASP A 61 0.224 -10.048 -15.408 1.00 0.00 O ATOM 0 H ASP A 61 -0.055 -9.043 -11.001 1.00 0.00 H new ATOM 0 HA ASP A 61 1.400 -7.333 -12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.820 -9.322 -13.191 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.954 -7.865 -14.154 1.00 0.00 H new ATOM 916 N THR A 62 -1.621 -6.990 -11.573 1.00 0.00 N ATOM 917 CA THR A 62 -2.605 -6.024 -11.115 1.00 0.00 C ATOM 918 C THR A 62 -2.847 -6.182 -9.612 1.00 0.00 C ATOM 919 O THR A 62 -3.919 -6.619 -9.195 1.00 0.00 O ATOM 920 CB THR A 62 -3.870 -6.203 -11.956 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.405 -6.810 -13.158 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.460 -4.869 -12.417 1.00 0.00 C ATOM 0 H THR A 62 -1.888 -7.966 -11.443 1.00 0.00 H new ATOM 0 HA THR A 62 -2.250 -5.002 -11.250 1.00 0.00 H new ATOM 0 HB THR A 62 -4.615 -6.750 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.162 -6.963 -13.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.356 -5.053 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.718 -4.265 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.727 -4.337 -13.023 1.00 0.00 H new ATOM 930 N LYS A 63 -1.834 -5.817 -8.841 1.00 0.00 N ATOM 931 CA LYS A 63 -1.923 -5.912 -7.394 1.00 0.00 C ATOM 932 C LYS A 63 -1.007 -4.864 -6.760 1.00 0.00 C ATOM 933 O LYS A 63 0.162 -4.753 -7.127 1.00 0.00 O ATOM 934 CB LYS A 63 -1.633 -7.342 -6.932 1.00 0.00 C ATOM 935 CG LYS A 63 -1.536 -7.417 -5.407 1.00 0.00 C ATOM 936 CD LYS A 63 -2.927 -7.408 -4.768 1.00 0.00 C ATOM 937 CE LYS A 63 -3.450 -8.832 -4.574 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.686 -8.824 -3.761 1.00 0.00 N ATOM 0 H LYS A 63 -0.947 -5.455 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.937 -5.693 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.421 -8.008 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.700 -7.690 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.004 -8.323 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.955 -6.574 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.886 -6.898 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.617 -6.846 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.649 -9.288 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.690 -9.441 -4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.736 -9.696 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.679 -8.000 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.514 -8.771 -4.388 1.00 0.00 H new ATOM 952 N VAL A 64 -1.572 -4.120 -5.820 1.00 0.00 N ATOM 953 CA VAL A 64 -0.821 -3.084 -5.132 1.00 0.00 C ATOM 954 C VAL A 64 -0.749 -3.418 -3.641 1.00 0.00 C ATOM 955 O VAL A 64 -1.774 -3.649 -3.003 1.00 0.00 O ATOM 956 CB VAL A 64 -1.444 -1.715 -5.409 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.837 -1.080 -6.662 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.966 -1.819 -5.529 1.00 0.00 C ATOM 0 H VAL A 64 -2.542 -4.214 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 64 0.202 -3.042 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.219 -1.067 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.297 -0.108 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.237 -0.953 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.017 -1.726 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.384 -0.832 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.221 -2.491 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.379 -2.208 -4.598 1.00 0.00 H new ATOM 968 N LEU A 65 0.473 -3.432 -3.129 1.00 0.00 N ATOM 969 CA LEU A 65 0.693 -3.733 -1.724 1.00 0.00 C ATOM 970 C LEU A 65 0.597 -2.442 -0.909 1.00 0.00 C ATOM 971 O LEU A 65 1.255 -1.452 -1.228 1.00 0.00 O ATOM 972 CB LEU A 65 2.013 -4.482 -1.537 1.00 0.00 C ATOM 973 CG LEU A 65 2.732 -4.252 -0.206 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.098 -5.083 0.911 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.232 -4.521 -0.340 1.00 0.00 C ATOM 0 H LEU A 65 1.321 -3.240 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.082 -4.403 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.820 -5.550 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.687 -4.198 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 65 2.616 -3.203 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.628 -4.901 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.052 -4.800 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.162 -6.141 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.719 -4.350 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.390 -5.554 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.657 -3.850 -1.087 1.00 0.00 H new ATOM 987 N CYS A 66 -0.227 -2.493 0.126 1.00 0.00 N ATOM 988 CA CYS A 66 -0.417 -1.339 0.990 1.00 0.00 C ATOM 989 C CYS A 66 0.615 -1.407 2.116 1.00 0.00 C ATOM 990 O CYS A 66 1.103 -2.486 2.452 1.00 0.00 O ATOM 991 CB CYS A 66 -1.847 -1.266 1.529 1.00 0.00 C ATOM 992 SG CYS A 66 -1.900 -0.207 3.020 1.00 0.00 S ATOM 0 H CYS A 66 -0.771 -3.315 0.387 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.268 -0.424 0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.513 -0.865 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.205 -2.267 1.771 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.125 -0.708 3.936 1.00 0.00 H new ATOM 998 N ARG A 67 0.918 -0.242 2.669 1.00 0.00 N ATOM 999 CA ARG A 67 1.884 -0.156 3.751 1.00 0.00 C ATOM 1000 C ARG A 67 1.381 0.798 4.837 1.00 0.00 C ATOM 1001 O ARG A 67 0.866 1.873 4.533 1.00 0.00 O ATOM 1002 CB ARG A 67 3.241 0.333 3.241 1.00 0.00 C ATOM 1003 CG ARG A 67 4.387 -0.371 3.969 1.00 0.00 C ATOM 1004 CD ARG A 67 5.734 0.265 3.617 1.00 0.00 C ATOM 1005 NE ARG A 67 6.532 0.473 4.846 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.682 1.179 4.891 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.179 1.751 3.774 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.313 1.300 6.044 1.00 0.00 N ATOM 0 H ARG A 67 0.512 0.650 2.388 1.00 0.00 H new ATOM 0 HA ARG A 67 2.004 -1.156 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.319 0.149 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.321 1.410 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.226 -0.317 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.398 -1.427 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.278 -0.377 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.575 1.217 3.111 1.00 0.00 H new ATOM 0 HE ARG A 67 6.192 0.057 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.685 1.652 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.048 2.283 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.931 0.864 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.183 1.830 6.096 1.00 0.00 H new ATOM 1022 N ASN A 68 1.549 0.370 6.079 1.00 0.00 N ATOM 1023 CA ASN A 68 1.118 1.173 7.212 1.00 0.00 C ATOM 1024 C ASN A 68 2.318 1.454 8.118 1.00 0.00 C ATOM 1025 O ASN A 68 3.129 0.565 8.373 1.00 0.00 O ATOM 1026 CB ASN A 68 0.063 0.437 8.039 1.00 0.00 C ATOM 1027 CG ASN A 68 0.313 -1.073 8.029 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.071 -1.785 7.116 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.976 -1.519 9.092 1.00 0.00 N ATOM 0 H ASN A 68 1.977 -0.522 6.327 1.00 0.00 H new ATOM 0 HA ASN A 68 0.692 2.099 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.078 0.805 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.929 0.648 7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.192 -2.512 9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.269 -0.868 9.821 1.00 0.00 H new ATOM 1036 N GLU A 69 2.394 2.694 8.579 1.00 0.00 N ATOM 1037 CA GLU A 69 3.481 3.103 9.452 1.00 0.00 C ATOM 1038 C GLU A 69 3.506 2.235 10.712 1.00 0.00 C ATOM 1039 O GLU A 69 4.443 2.312 11.504 1.00 0.00 O ATOM 1040 CB GLU A 69 3.369 4.586 9.809 1.00 0.00 C ATOM 1041 CG GLU A 69 4.665 5.329 9.480 1.00 0.00 C ATOM 1042 CD GLU A 69 5.801 4.886 10.405 1.00 0.00 C ATOM 1043 OE1 GLU A 69 5.930 5.507 11.483 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.514 3.937 10.014 1.00 0.00 O ATOM 0 H GLU A 69 1.720 3.429 8.364 1.00 0.00 H new ATOM 0 HA GLU A 69 4.421 2.962 8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.540 5.034 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.144 4.692 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.942 5.142 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.508 6.403 9.580 1.00 0.00 H new ATOM 1051 N GLU A 70 2.464 1.429 10.857 1.00 0.00 N ATOM 1052 CA GLU A 70 2.355 0.548 12.007 1.00 0.00 C ATOM 1053 C GLU A 70 3.499 -0.468 12.009 1.00 0.00 C ATOM 1054 O GLU A 70 3.657 -1.229 12.962 1.00 0.00 O ATOM 1055 CB GLU A 70 0.997 -0.156 12.031 1.00 0.00 C ATOM 1056 CG GLU A 70 0.389 -0.127 13.435 1.00 0.00 C ATOM 1057 CD GLU A 70 0.260 1.309 13.947 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.561 2.048 13.362 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.985 1.635 14.912 1.00 0.00 O ATOM 0 H GLU A 70 1.688 1.368 10.197 1.00 0.00 H new ATOM 0 HA GLU A 70 2.431 1.152 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.320 0.328 11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.113 -1.189 11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.592 -0.601 13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.012 -0.705 14.117 1.00 0.00 H new ATOM 1066 N GLY A 71 4.268 -0.446 10.930 1.00 0.00 N ATOM 1067 CA GLY A 71 5.393 -1.356 10.795 1.00 0.00 C ATOM 1068 C GLY A 71 4.952 -2.687 10.182 1.00 0.00 C ATOM 1069 O GLY A 71 5.714 -3.651 10.168 1.00 0.00 O ATOM 0 H GLY A 71 4.134 0.187 10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.161 -0.900 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.842 -1.533 11.773 1.00 0.00 H new ATOM 1073 N LYS A 72 3.722 -2.695 9.689 1.00 0.00 N ATOM 1074 CA LYS A 72 3.170 -3.892 9.076 1.00 0.00 C ATOM 1075 C LYS A 72 2.707 -3.564 7.655 1.00 0.00 C ATOM 1076 O LYS A 72 2.428 -2.408 7.340 1.00 0.00 O ATOM 1077 CB LYS A 72 2.071 -4.487 9.958 1.00 0.00 C ATOM 1078 CG LYS A 72 0.994 -5.166 9.109 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.170 -5.645 9.980 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.923 -6.793 9.305 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.872 -7.418 10.253 1.00 0.00 N ATOM 0 H LYS A 72 3.092 -1.893 9.701 1.00 0.00 H new ATOM 0 HA LYS A 72 3.934 -4.665 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.505 -5.211 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.620 -3.701 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.626 -4.469 8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.426 -6.013 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.207 -5.972 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.854 -4.817 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.462 -6.420 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.214 -7.539 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.375 -8.195 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.350 -7.791 11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.559 -6.707 10.576 1.00 0.00 H new ATOM 1095 N TYR A 73 2.641 -4.602 6.834 1.00 0.00 N ATOM 1096 CA TYR A 73 2.217 -4.440 5.454 1.00 0.00 C ATOM 1097 C TYR A 73 0.976 -5.284 5.158 1.00 0.00 C ATOM 1098 O TYR A 73 0.593 -6.133 5.961 1.00 0.00 O ATOM 1099 CB TYR A 73 3.379 -4.943 4.594 1.00 0.00 C ATOM 1100 CG TYR A 73 4.609 -4.033 4.616 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.220 -3.728 5.815 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.107 -3.518 3.437 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.378 -2.872 5.836 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.265 -2.662 3.458 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.843 -2.382 4.656 1.00 0.00 C ATOM 1106 OH TYR A 73 7.937 -1.573 4.676 1.00 0.00 O ATOM 0 H TYR A 73 2.874 -5.559 7.099 1.00 0.00 H new ATOM 0 HA TYR A 73 1.965 -3.399 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.668 -5.936 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.036 -5.049 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.830 -4.131 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.629 -3.757 2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.866 -2.625 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.665 -2.252 2.543 1.00 0.00 H new ATOM 0 HH TYR A 73 8.724 -2.093 4.942 1.00 0.00 H new ATOM 1116 N GLY A 74 0.383 -5.022 4.003 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.807 -5.747 3.591 1.00 0.00 C ATOM 1118 C GLY A 74 -0.986 -5.689 2.073 1.00 0.00 C ATOM 1119 O GLY A 74 -0.435 -4.810 1.412 1.00 0.00 O ATOM 0 H GLY A 74 0.704 -4.317 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.734 -6.786 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.684 -5.323 4.081 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.759 -6.638 1.564 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.018 -6.706 0.136 1.00 0.00 C ATOM 1125 C TYR A 75 -3.420 -6.191 -0.193 1.00 0.00 C ATOM 1126 O TYR A 75 -4.326 -6.276 0.635 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.931 -8.187 -0.238 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.506 -8.680 -0.499 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.320 -7.982 -1.356 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.047 -9.824 0.122 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.661 -8.446 -1.602 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.294 -10.288 -0.123 1.00 0.00 C ATOM 1133 CZ TYR A 75 2.082 -9.576 -0.973 1.00 0.00 C ATOM 1134 OH TYR A 75 3.348 -10.015 -1.205 1.00 0.00 O ATOM 0 H TYR A 75 -2.214 -7.366 2.115 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.303 -6.093 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.368 -8.780 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.534 -8.362 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.039 -7.087 -1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.694 -10.371 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.317 -7.909 -2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.666 -11.181 0.357 1.00 0.00 H new ATOM 0 HH TYR A 75 3.838 -10.062 -0.358 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.556 -5.667 -1.402 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.833 -5.139 -1.850 1.00 0.00 C ATOM 1146 C VAL A 76 -5.018 -5.456 -3.336 1.00 0.00 C ATOM 1147 O VAL A 76 -4.157 -5.139 -4.154 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.916 -3.642 -1.544 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.368 -3.202 -1.347 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.065 -3.284 -0.324 1.00 0.00 C ATOM 0 H VAL A 76 -2.802 -5.597 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.653 -5.614 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.516 -3.102 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.398 -2.134 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.936 -3.405 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.805 -3.753 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.142 -2.214 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.422 -3.838 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.024 -3.544 -0.517 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.148 -6.078 -3.638 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.458 -6.442 -5.010 1.00 0.00 C ATOM 1162 C LEU A 77 -6.847 -5.185 -5.791 1.00 0.00 C ATOM 1163 O LEU A 77 -7.601 -4.350 -5.294 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.521 -7.542 -5.046 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.329 -8.626 -6.109 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.661 -9.290 -6.461 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.625 -8.063 -7.345 1.00 0.00 C ATOM 0 H LEU A 77 -6.860 -6.339 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.580 -6.863 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.552 -8.022 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.493 -7.075 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.683 -9.400 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.497 -10.056 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.087 -9.748 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.351 -8.540 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.501 -8.854 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.225 -7.259 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.647 -7.675 -7.061 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.315 -5.090 -7.001 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.597 -3.949 -7.855 1.00 0.00 C ATOM 1181 C ARG A 78 -8.107 -3.788 -8.044 1.00 0.00 C ATOM 1182 O ARG A 78 -8.578 -2.715 -8.419 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.934 -4.108 -9.224 1.00 0.00 C ATOM 1184 CG ARG A 78 -6.855 -4.846 -10.198 1.00 0.00 C ATOM 1185 CD ARG A 78 -6.952 -6.331 -9.842 1.00 0.00 C ATOM 1186 NE ARG A 78 -6.999 -7.145 -11.077 1.00 0.00 N ATOM 1187 CZ ARG A 78 -8.006 -7.101 -11.975 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.061 -6.280 -11.782 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -7.945 -7.873 -13.044 1.00 0.00 N ATOM 0 H ARG A 78 -5.690 -5.785 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.191 -3.062 -7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.684 -3.127 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.998 -4.656 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.848 -4.397 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.478 -4.736 -11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.095 -6.625 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.844 -6.512 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.222 -7.779 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.101 -5.687 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.818 -6.253 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.145 -8.491 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.698 -7.852 -13.732 1.00 0.00 H new ATOM 1203 N SER A 79 -8.824 -4.869 -7.775 1.00 0.00 N ATOM 1204 CA SER A 79 -10.270 -4.861 -7.911 1.00 0.00 C ATOM 1205 C SER A 79 -10.853 -3.621 -7.230 1.00 0.00 C ATOM 1206 O SER A 79 -11.530 -2.818 -7.870 1.00 0.00 O ATOM 1207 CB SER A 79 -10.886 -6.130 -7.318 1.00 0.00 C ATOM 1208 OG SER A 79 -12.311 -6.090 -7.334 1.00 0.00 O ATOM 0 H SER A 79 -8.430 -5.757 -7.463 1.00 0.00 H new ATOM 0 HA SER A 79 -10.513 -4.833 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.541 -6.997 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.538 -6.257 -6.293 1.00 0.00 H new ATOM 0 HG SER A 79 -12.666 -6.918 -6.949 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.568 -3.503 -5.942 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.055 -2.374 -5.168 1.00 0.00 C ATOM 1216 C TYR A 80 -9.896 -1.501 -4.683 1.00 0.00 C ATOM 1217 O TYR A 80 -9.424 -1.658 -3.558 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.770 -2.972 -3.954 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.021 -4.135 -3.301 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.014 -3.884 -2.391 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.351 -5.436 -3.623 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.309 -4.979 -1.776 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.646 -6.531 -3.009 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.660 -6.248 -2.116 1.00 0.00 C ATOM 1225 OH TYR A 80 -8.994 -7.283 -1.536 1.00 0.00 O ATOM 0 H TYR A 80 -10.006 -4.171 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.711 -1.748 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.921 -2.188 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.758 -3.316 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.755 -2.866 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.138 -5.633 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.520 -4.797 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.894 -7.554 -3.252 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.351 -8.131 -1.872 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.471 -0.599 -5.556 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.376 0.299 -5.231 1.00 0.00 C ATOM 1237 C LEU A 81 -8.311 1.415 -6.277 1.00 0.00 C ATOM 1238 O LEU A 81 -9.052 1.396 -7.258 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.069 -0.481 -5.082 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.172 -0.069 -3.913 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.316 -1.244 -3.438 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.320 1.149 -4.279 1.00 0.00 C ATOM 0 H LEU A 81 -9.865 -0.471 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.547 0.775 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.310 -1.538 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.499 -0.377 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.810 0.222 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.688 -0.924 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.964 -2.057 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.685 -1.589 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.692 1.421 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.690 0.908 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.971 1.986 -4.532 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.415 2.360 -6.031 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.243 3.482 -6.939 1.00 0.00 C ATOM 1256 C ALA A 82 -6.399 3.038 -8.135 1.00 0.00 C ATOM 1257 O ALA A 82 -5.865 1.930 -8.146 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.616 4.657 -6.186 1.00 0.00 C ATOM 0 H ALA A 82 -6.801 2.372 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.207 3.818 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.487 5.498 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.268 4.952 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.645 4.359 -5.790 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.305 3.927 -9.114 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.535 3.641 -10.312 1.00 0.00 C ATOM 1266 C ASP A 83 -4.099 3.286 -9.919 1.00 0.00 C ATOM 1267 O ASP A 83 -3.719 3.422 -8.757 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.484 4.858 -11.238 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.806 5.613 -11.387 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.315 6.078 -10.344 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -7.279 5.708 -12.540 1.00 0.00 O ATOM 0 H ASP A 83 -6.749 4.845 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.016 2.812 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.729 5.549 -10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.156 4.531 -12.225 1.00 0.00 H new