USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.144 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.498) USER MOD Single : A 7 TYR OH : rot 180:sc=-0.00888 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 84:sc= -0.406 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 15:sc= -4.51 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 93:sc= 0.574 USER MOD Single : A 55 MET CE :methyl -155:sc= 0 (180deg=-0.0372) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.626 -3.994 -30.759 1.00 0.00 N ATOM 125 CA MET A 1 -4.516 -5.130 -30.388 1.00 0.00 C ATOM 126 C MET A 1 -5.289 -4.755 -29.155 1.00 0.00 C ATOM 127 O MET A 1 -5.229 -3.624 -28.703 1.00 0.00 O ATOM 128 CB MET A 1 -3.685 -6.382 -30.105 1.00 0.00 C ATOM 129 CG MET A 1 -3.515 -7.172 -31.390 1.00 0.00 C ATOM 130 SD MET A 1 -2.049 -8.226 -31.266 1.00 0.00 S ATOM 131 CE MET A 1 -1.933 -8.662 -33.018 1.00 0.00 C ATOM 0 H1 MET A 1 -3.973 -3.552 -31.634 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.624 -3.290 -29.993 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.659 -4.345 -30.909 1.00 0.00 H new ATOM 0 HA MET A 1 -5.198 -5.340 -31.212 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.710 -6.103 -29.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.176 -6.995 -29.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.399 -7.782 -31.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.416 -6.492 -32.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.079 -9.321 -33.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.846 -9.171 -33.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.804 -7.756 -33.611 1.00 0.00 H new ATOM 141 N GLU A 2 -6.013 -5.685 -28.588 1.00 0.00 N ATOM 142 CA GLU A 2 -6.772 -5.382 -27.391 1.00 0.00 C ATOM 143 C GLU A 2 -6.349 -6.363 -26.331 1.00 0.00 C ATOM 144 O GLU A 2 -5.570 -7.264 -26.582 1.00 0.00 O ATOM 145 CB GLU A 2 -8.265 -5.544 -27.689 1.00 0.00 C ATOM 146 CG GLU A 2 -9.028 -4.293 -27.244 1.00 0.00 C ATOM 147 CD GLU A 2 -10.384 -4.241 -27.950 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.290 -4.925 -27.502 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.495 -3.516 -28.925 1.00 0.00 O ATOM 0 H GLU A 2 -6.096 -6.644 -28.924 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.592 -4.360 -27.057 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.415 -5.711 -28.756 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.654 -6.421 -27.171 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.170 -4.306 -26.163 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.450 -3.399 -27.479 1.00 0.00 H new ATOM 156 N ALA A 3 -6.855 -6.203 -25.168 1.00 0.00 N ATOM 157 CA ALA A 3 -6.510 -7.132 -24.068 1.00 0.00 C ATOM 158 C ALA A 3 -7.626 -7.167 -23.048 1.00 0.00 C ATOM 159 O ALA A 3 -7.886 -6.218 -22.348 1.00 0.00 O ATOM 160 CB ALA A 3 -5.233 -6.708 -23.420 1.00 0.00 C ATOM 0 H ALA A 3 -7.505 -5.459 -24.916 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.379 -8.133 -24.480 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.988 -7.398 -22.612 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.431 -6.714 -24.158 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.347 -5.702 -23.016 1.00 0.00 H new ATOM 166 N ILE A 4 -8.288 -8.267 -22.979 1.00 0.00 N ATOM 167 CA ILE A 4 -9.422 -8.435 -22.042 1.00 0.00 C ATOM 168 C ILE A 4 -9.013 -8.178 -20.614 1.00 0.00 C ATOM 169 O ILE A 4 -8.188 -8.875 -20.049 1.00 0.00 O ATOM 170 CB ILE A 4 -9.955 -9.864 -22.161 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.948 -10.162 -21.015 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.804 -10.860 -22.106 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.142 -10.854 -21.567 1.00 0.00 C ATOM 0 H ILE A 4 -8.088 -9.088 -23.550 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.191 -7.709 -22.306 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.470 -9.962 -23.116 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.471 -10.784 -20.258 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.245 -9.235 -20.525 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.196 -11.874 -22.192 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.116 -10.666 -22.929 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.276 -10.754 -21.158 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.845 -11.066 -20.761 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.622 -10.216 -22.309 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.836 -11.789 -22.037 1.00 0.00 H new ATOM 185 N ALA A 5 -9.674 -7.243 -19.999 1.00 0.00 N ATOM 186 CA ALA A 5 -9.416 -6.994 -18.549 1.00 0.00 C ATOM 187 C ALA A 5 -9.904 -8.238 -17.811 1.00 0.00 C ATOM 188 O ALA A 5 -11.042 -8.649 -17.953 1.00 0.00 O ATOM 189 CB ALA A 5 -10.195 -5.791 -18.037 1.00 0.00 C ATOM 0 H ALA A 5 -10.377 -6.642 -20.429 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.357 -6.792 -18.390 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.981 -5.642 -16.979 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.900 -4.902 -18.595 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.263 -5.965 -18.170 1.00 0.00 H new ATOM 195 N LYS A 6 -9.055 -8.847 -17.075 1.00 0.00 N ATOM 196 CA LYS A 6 -9.411 -10.084 -16.354 1.00 0.00 C ATOM 197 C LYS A 6 -10.209 -9.736 -15.091 1.00 0.00 C ATOM 198 O LYS A 6 -11.108 -10.449 -14.692 1.00 0.00 O ATOM 199 CB LYS A 6 -8.093 -10.759 -15.967 1.00 0.00 C ATOM 200 CG LYS A 6 -8.177 -12.253 -16.171 1.00 0.00 C ATOM 201 CD LYS A 6 -6.779 -12.795 -16.534 1.00 0.00 C ATOM 202 CE LYS A 6 -6.713 -14.291 -16.225 1.00 0.00 C ATOM 203 NZ LYS A 6 -7.072 -15.067 -17.447 1.00 0.00 N ATOM 0 H LYS A 6 -8.094 -8.535 -16.933 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.023 -10.741 -16.972 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.280 -10.350 -16.567 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.860 -10.542 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.543 -12.736 -15.265 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.887 -12.484 -16.965 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.574 -12.622 -17.590 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.014 -12.263 -15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.711 -14.560 -15.891 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.396 -14.536 -15.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.341 -16.035 -17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.871 -14.607 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.254 -15.102 -18.089 1.00 0.00 H new ATOM 217 N TYR A 7 -9.867 -8.646 -14.466 1.00 0.00 N ATOM 218 CA TYR A 7 -10.564 -8.215 -13.210 1.00 0.00 C ATOM 219 C TYR A 7 -10.490 -6.716 -13.101 1.00 0.00 C ATOM 220 O TYR A 7 -10.039 -6.032 -14.003 1.00 0.00 O ATOM 221 CB TYR A 7 -9.870 -8.818 -11.971 1.00 0.00 C ATOM 222 CG TYR A 7 -9.420 -10.232 -12.238 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.343 -11.279 -12.220 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.077 -10.483 -12.512 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.917 -12.588 -12.481 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.647 -11.784 -12.772 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.566 -12.840 -12.758 1.00 0.00 C ATOM 228 OH TYR A 7 -8.143 -14.129 -13.018 1.00 0.00 O ATOM 0 H TYR A 7 -9.122 -8.021 -14.773 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.598 -8.556 -13.251 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.011 -8.205 -11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.555 -8.805 -11.123 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.383 -11.081 -12.005 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.368 -9.669 -12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.628 -13.401 -12.469 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.606 -11.977 -12.984 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.178 -14.128 -13.191 1.00 0.00 H new ATOM 238 N ASP A 8 -10.929 -6.204 -12.000 1.00 0.00 N ATOM 239 CA ASP A 8 -10.900 -4.746 -11.790 1.00 0.00 C ATOM 240 C ASP A 8 -9.504 -4.323 -11.321 1.00 0.00 C ATOM 241 O ASP A 8 -8.756 -5.111 -10.782 1.00 0.00 O ATOM 242 CB ASP A 8 -11.965 -4.378 -10.773 1.00 0.00 C ATOM 243 CG ASP A 8 -11.602 -4.915 -9.377 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.904 -4.217 -8.660 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.030 -6.011 -9.057 1.00 0.00 O ATOM 0 H ASP A 8 -11.313 -6.743 -11.224 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.112 -4.220 -12.721 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.076 -3.294 -10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.927 -4.785 -11.085 1.00 0.00 H new ATOM 250 N PHE A 9 -9.151 -3.084 -11.536 1.00 0.00 N ATOM 251 CA PHE A 9 -7.793 -2.588 -11.131 1.00 0.00 C ATOM 252 C PHE A 9 -7.581 -1.154 -11.655 1.00 0.00 C ATOM 253 O PHE A 9 -7.453 -0.949 -12.845 1.00 0.00 O ATOM 254 CB PHE A 9 -6.704 -3.494 -11.761 1.00 0.00 C ATOM 255 CG PHE A 9 -5.677 -3.895 -10.719 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.090 -4.328 -9.454 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.314 -3.842 -11.027 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.143 -4.706 -8.496 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.364 -4.221 -10.070 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.779 -4.654 -8.804 1.00 0.00 C ATOM 0 H PHE A 9 -9.747 -2.384 -11.978 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.724 -2.605 -10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.166 -4.385 -12.187 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.213 -2.967 -12.580 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.143 -4.371 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.994 -3.509 -12.003 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.464 -5.038 -7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.311 -4.179 -10.308 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.047 -4.947 -8.066 1.00 0.00 H new ATOM 270 N LYS A 10 -7.514 -0.171 -10.786 1.00 0.00 N ATOM 271 CA LYS A 10 -7.284 1.238 -11.263 1.00 0.00 C ATOM 272 C LYS A 10 -5.839 1.407 -11.679 1.00 0.00 C ATOM 273 O LYS A 10 -5.045 0.484 -11.607 1.00 0.00 O ATOM 274 CB LYS A 10 -7.647 2.238 -10.147 1.00 0.00 C ATOM 275 CG LYS A 10 -6.721 2.047 -8.938 1.00 0.00 C ATOM 276 CD LYS A 10 -7.340 2.714 -7.706 1.00 0.00 C ATOM 277 CE LYS A 10 -6.537 2.334 -6.459 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.450 2.262 -5.281 1.00 0.00 N ATOM 0 H LYS A 10 -7.607 -0.279 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.922 1.436 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.561 3.258 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.685 2.095 -9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.567 0.985 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.742 2.480 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.347 3.797 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.378 2.400 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.044 1.373 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.753 3.070 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.904 2.004 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.900 3.188 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.183 1.544 -5.453 1.00 0.00 H new ATOM 292 N ALA A 11 -5.499 2.577 -12.131 1.00 0.00 N ATOM 293 CA ALA A 11 -4.117 2.826 -12.576 1.00 0.00 C ATOM 294 C ALA A 11 -3.202 2.856 -11.343 1.00 0.00 C ATOM 295 O ALA A 11 -3.554 3.421 -10.323 1.00 0.00 O ATOM 296 CB ALA A 11 -4.048 4.157 -13.310 1.00 0.00 C ATOM 0 H ALA A 11 -6.129 3.375 -12.210 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.794 2.036 -13.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.025 4.339 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.708 4.129 -14.177 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.362 4.958 -12.641 1.00 0.00 H new ATOM 302 N THR A 12 -2.043 2.245 -11.418 1.00 0.00 N ATOM 303 CA THR A 12 -1.124 2.234 -10.236 1.00 0.00 C ATOM 304 C THR A 12 0.079 3.149 -10.488 1.00 0.00 C ATOM 305 O THR A 12 1.194 2.841 -10.105 1.00 0.00 O ATOM 306 CB THR A 12 -0.637 0.804 -9.980 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.412 0.145 -11.221 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.695 0.044 -9.179 1.00 0.00 C ATOM 0 H THR A 12 -1.695 1.756 -12.243 1.00 0.00 H new ATOM 0 HA THR A 12 -1.666 2.599 -9.364 1.00 0.00 H new ATOM 0 HB THR A 12 0.295 0.833 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.480 0.375 -11.556 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.351 -0.974 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.862 0.548 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.627 0.016 -9.743 1.00 0.00 H new ATOM 316 N ALA A 13 -0.140 4.278 -11.118 1.00 0.00 N ATOM 317 CA ALA A 13 0.985 5.228 -11.387 1.00 0.00 C ATOM 318 C ALA A 13 0.475 6.424 -12.148 1.00 0.00 C ATOM 319 O ALA A 13 -0.653 6.463 -12.608 1.00 0.00 O ATOM 320 CB ALA A 13 2.084 4.546 -12.207 1.00 0.00 C ATOM 0 H ALA A 13 -1.052 4.583 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 13 1.399 5.546 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.892 5.254 -12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.471 3.689 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.672 4.209 -13.158 1.00 0.00 H new ATOM 326 N ASP A 14 1.306 7.403 -12.272 1.00 0.00 N ATOM 327 CA ASP A 14 0.933 8.637 -12.985 1.00 0.00 C ATOM 328 C ASP A 14 0.823 8.377 -14.496 1.00 0.00 C ATOM 329 O ASP A 14 0.332 9.209 -15.237 1.00 0.00 O ATOM 330 CB ASP A 14 2.011 9.653 -12.707 1.00 0.00 C ATOM 331 CG ASP A 14 1.450 11.065 -12.875 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.921 11.349 -13.937 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.559 11.840 -11.939 1.00 0.00 O ATOM 0 H ASP A 14 2.255 7.399 -11.898 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.038 8.997 -12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.394 9.522 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.849 9.502 -13.387 1.00 0.00 H new ATOM 338 N ASP A 15 1.264 7.224 -14.958 1.00 0.00 N ATOM 339 CA ASP A 15 1.178 6.908 -16.389 1.00 0.00 C ATOM 340 C ASP A 15 0.578 5.509 -16.558 1.00 0.00 C ATOM 341 O ASP A 15 0.860 4.806 -17.523 1.00 0.00 O ATOM 342 CB ASP A 15 2.578 6.958 -17.016 1.00 0.00 C ATOM 343 CG ASP A 15 2.777 8.301 -17.724 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.961 9.290 -17.034 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.741 8.318 -18.943 1.00 0.00 O ATOM 0 H ASP A 15 1.681 6.493 -14.382 1.00 0.00 H new ATOM 0 HA ASP A 15 0.542 7.639 -16.889 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.337 6.826 -16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.699 6.140 -17.726 1.00 0.00 H new ATOM 350 N GLU A 16 -0.257 5.096 -15.629 1.00 0.00 N ATOM 351 CA GLU A 16 -0.879 3.759 -15.729 1.00 0.00 C ATOM 352 C GLU A 16 -2.299 3.912 -16.242 1.00 0.00 C ATOM 353 O GLU A 16 -2.764 5.010 -16.488 1.00 0.00 O ATOM 354 CB GLU A 16 -0.889 3.099 -14.353 1.00 0.00 C ATOM 355 CG GLU A 16 -0.820 1.577 -14.512 1.00 0.00 C ATOM 356 CD GLU A 16 0.410 1.026 -13.773 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.807 1.629 -12.788 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.932 0.014 -14.208 1.00 0.00 O ATOM 0 H GLU A 16 -0.527 5.638 -14.808 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.310 3.134 -16.418 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.043 3.452 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.793 3.377 -13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.727 1.120 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.767 1.316 -15.569 1.00 0.00 H new ATOM 365 N LEU A 17 -2.988 2.820 -16.422 1.00 0.00 N ATOM 366 CA LEU A 17 -4.380 2.894 -16.941 1.00 0.00 C ATOM 367 C LEU A 17 -5.334 2.113 -16.039 1.00 0.00 C ATOM 368 O LEU A 17 -5.110 0.964 -15.708 1.00 0.00 O ATOM 369 CB LEU A 17 -4.410 2.330 -18.380 1.00 0.00 C ATOM 370 CG LEU A 17 -5.850 2.291 -18.925 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.347 3.717 -19.177 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.880 1.490 -20.239 1.00 0.00 C ATOM 0 H LEU A 17 -2.646 1.878 -16.231 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.708 3.934 -16.951 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.788 2.946 -19.029 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.986 1.326 -18.390 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.500 1.811 -18.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.366 3.684 -19.562 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.330 4.279 -18.243 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.699 4.205 -19.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.899 1.462 -20.625 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.228 1.967 -20.971 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.535 0.473 -20.053 1.00 0.00 H new ATOM 384 N SER A 18 -6.409 2.752 -15.651 1.00 0.00 N ATOM 385 CA SER A 18 -7.402 2.125 -14.800 1.00 0.00 C ATOM 386 C SER A 18 -8.418 1.384 -15.663 1.00 0.00 C ATOM 387 O SER A 18 -8.661 1.744 -16.802 1.00 0.00 O ATOM 388 CB SER A 18 -8.101 3.229 -14.048 1.00 0.00 C ATOM 389 OG SER A 18 -8.903 3.984 -14.947 1.00 0.00 O ATOM 0 H SER A 18 -6.624 3.715 -15.911 1.00 0.00 H new ATOM 0 HA SER A 18 -6.936 1.415 -14.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.721 2.808 -13.257 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.368 3.876 -13.567 1.00 0.00 H new ATOM 0 HG SER A 18 -9.358 4.700 -14.457 1.00 0.00 H new ATOM 395 N PHE A 19 -9.023 0.367 -15.124 1.00 0.00 N ATOM 396 CA PHE A 19 -10.043 -0.399 -15.891 1.00 0.00 C ATOM 397 C PHE A 19 -10.788 -1.322 -14.933 1.00 0.00 C ATOM 398 O PHE A 19 -10.374 -1.521 -13.815 1.00 0.00 O ATOM 399 CB PHE A 19 -9.362 -1.221 -16.998 1.00 0.00 C ATOM 400 CG PHE A 19 -8.343 -2.161 -16.398 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.765 -3.343 -15.783 1.00 0.00 C ATOM 402 CD2 PHE A 19 -6.981 -1.852 -16.462 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.823 -4.218 -15.229 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.038 -2.725 -15.908 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.460 -3.909 -15.292 1.00 0.00 C ATOM 0 H PHE A 19 -8.854 0.029 -14.176 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.747 0.290 -16.358 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.110 -1.789 -17.552 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.877 -0.554 -17.710 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.817 -3.581 -15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.656 -0.939 -16.939 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.148 -5.131 -14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.986 -2.486 -15.956 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.733 -4.584 -14.865 1.00 0.00 H new ATOM 415 N LYS A 20 -11.883 -1.878 -15.365 1.00 0.00 N ATOM 416 CA LYS A 20 -12.665 -2.789 -14.486 1.00 0.00 C ATOM 417 C LYS A 20 -12.658 -4.186 -15.076 1.00 0.00 C ATOM 418 O LYS A 20 -12.030 -4.447 -16.083 1.00 0.00 O ATOM 419 CB LYS A 20 -14.106 -2.295 -14.401 1.00 0.00 C ATOM 420 CG LYS A 20 -14.122 -0.844 -13.929 1.00 0.00 C ATOM 421 CD LYS A 20 -14.088 -0.796 -12.399 1.00 0.00 C ATOM 422 CE LYS A 20 -14.899 0.407 -11.910 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.581 0.679 -10.478 1.00 0.00 N ATOM 0 H LYS A 20 -12.273 -1.739 -16.297 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.219 -2.805 -13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.587 -2.376 -15.376 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.675 -2.919 -13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.265 -0.309 -14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.016 -0.342 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.499 -1.717 -11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.058 -0.721 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.669 1.283 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.965 0.210 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.133 1.496 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.821 -0.155 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.566 0.885 -10.381 1.00 0.00 H new ATOM 437 N ARG A 21 -13.361 -5.080 -14.451 1.00 0.00 N ATOM 438 CA ARG A 21 -13.431 -6.478 -14.952 1.00 0.00 C ATOM 439 C ARG A 21 -14.220 -6.502 -16.261 1.00 0.00 C ATOM 440 O ARG A 21 -15.306 -5.958 -16.351 1.00 0.00 O ATOM 441 CB ARG A 21 -14.137 -7.321 -13.908 1.00 0.00 C ATOM 442 CG ARG A 21 -13.858 -8.799 -14.150 1.00 0.00 C ATOM 443 CD ARG A 21 -13.843 -9.530 -12.804 1.00 0.00 C ATOM 444 NE ARG A 21 -15.073 -10.358 -12.675 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.240 -11.397 -13.443 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.489 -12.451 -13.286 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.158 -11.381 -14.370 1.00 0.00 N ATOM 0 H ARG A 21 -13.898 -4.901 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.431 -6.872 -15.133 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.798 -7.038 -12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.210 -7.135 -13.945 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.621 -9.225 -14.801 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.901 -8.924 -14.657 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.957 -10.161 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.789 -8.810 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.784 -10.112 -11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.771 -12.462 -12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.620 -13.265 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.744 -10.555 -14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.289 -12.194 -14.972 1.00 0.00 H new ATOM 461 N GLY A 22 -13.676 -7.116 -17.283 1.00 0.00 N ATOM 462 CA GLY A 22 -14.388 -7.164 -18.598 1.00 0.00 C ATOM 463 C GLY A 22 -14.072 -5.893 -19.413 1.00 0.00 C ATOM 464 O GLY A 22 -14.462 -5.777 -20.562 1.00 0.00 O ATOM 0 H GLY A 22 -12.771 -7.586 -17.264 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.082 -8.049 -19.155 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.463 -7.245 -18.437 1.00 0.00 H new ATOM 468 N ASP A 23 -13.368 -4.942 -18.829 1.00 0.00 N ATOM 469 CA ASP A 23 -13.029 -3.715 -19.538 1.00 0.00 C ATOM 470 C ASP A 23 -11.788 -3.967 -20.372 1.00 0.00 C ATOM 471 O ASP A 23 -10.675 -3.853 -19.894 1.00 0.00 O ATOM 472 CB ASP A 23 -12.749 -2.608 -18.522 1.00 0.00 C ATOM 473 CG ASP A 23 -13.635 -1.394 -18.811 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.343 -0.687 -19.760 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.588 -1.192 -18.078 1.00 0.00 O ATOM 0 H ASP A 23 -13.020 -4.991 -17.872 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.853 -3.410 -20.183 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.937 -2.974 -17.513 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.699 -2.320 -18.566 1.00 0.00 H new ATOM 480 N ILE A 24 -11.970 -4.315 -21.597 1.00 0.00 N ATOM 481 CA ILE A 24 -10.799 -4.595 -22.473 1.00 0.00 C ATOM 482 C ILE A 24 -10.084 -3.283 -22.794 1.00 0.00 C ATOM 483 O ILE A 24 -10.700 -2.246 -22.947 1.00 0.00 O ATOM 484 CB ILE A 24 -11.241 -5.309 -23.761 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.326 -6.375 -23.417 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.007 -5.986 -24.370 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.570 -7.316 -24.601 1.00 0.00 C ATOM 0 H ILE A 24 -12.881 -4.421 -22.043 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.109 -5.258 -21.950 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.667 -4.600 -24.471 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.010 -6.953 -22.548 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.257 -5.877 -23.147 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.291 -6.502 -25.287 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.253 -5.232 -24.596 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.599 -6.706 -23.660 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.331 -8.049 -24.333 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.910 -6.738 -25.461 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.643 -7.831 -24.853 1.00 0.00 H new ATOM 499 N LEU A 25 -8.782 -3.329 -22.874 1.00 0.00 N ATOM 500 CA LEU A 25 -7.988 -2.099 -23.155 1.00 0.00 C ATOM 501 C LEU A 25 -7.494 -2.130 -24.600 1.00 0.00 C ATOM 502 O LEU A 25 -7.525 -3.163 -25.253 1.00 0.00 O ATOM 503 CB LEU A 25 -6.760 -2.024 -22.206 1.00 0.00 C ATOM 504 CG LEU A 25 -7.108 -2.401 -20.725 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.394 -1.707 -20.239 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.258 -3.923 -20.579 1.00 0.00 C ATOM 0 H LEU A 25 -8.228 -4.177 -22.755 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.623 -1.228 -22.995 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.983 -2.694 -22.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.349 -1.015 -22.231 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.282 -2.053 -20.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.597 -1.997 -19.208 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.267 -0.626 -20.293 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.230 -2.006 -20.871 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.500 -4.167 -19.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.058 -4.274 -21.231 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.323 -4.409 -20.858 1.00 0.00 H new ATOM 518 N LYS A 26 -7.027 -1.006 -25.105 1.00 0.00 N ATOM 519 CA LYS A 26 -6.518 -0.972 -26.526 1.00 0.00 C ATOM 520 C LYS A 26 -4.991 -0.879 -26.505 1.00 0.00 C ATOM 521 O LYS A 26 -4.439 0.189 -26.405 1.00 0.00 O ATOM 522 CB LYS A 26 -7.104 0.254 -27.258 1.00 0.00 C ATOM 523 CG LYS A 26 -7.793 -0.194 -28.555 1.00 0.00 C ATOM 524 CD LYS A 26 -9.307 -0.276 -28.329 1.00 0.00 C ATOM 525 CE LYS A 26 -10.042 -0.064 -29.656 1.00 0.00 C ATOM 526 NZ LYS A 26 -11.223 0.817 -29.431 1.00 0.00 N ATOM 0 H LYS A 26 -6.975 -0.119 -24.604 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.824 -1.878 -27.049 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.819 0.766 -26.614 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.311 0.967 -27.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.572 0.509 -29.358 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.408 -1.165 -28.867 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.569 -1.247 -27.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.617 0.479 -27.606 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.372 0.387 -30.388 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.362 -1.023 -30.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.724 0.963 -30.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.865 0.369 -28.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.906 1.735 -29.059 1.00 0.00 H new ATOM 540 N VAL A 27 -4.306 -1.998 -26.587 1.00 0.00 N ATOM 541 CA VAL A 27 -2.809 -1.975 -26.541 1.00 0.00 C ATOM 542 C VAL A 27 -2.243 -1.059 -27.630 1.00 0.00 C ATOM 543 O VAL A 27 -2.247 -1.388 -28.801 1.00 0.00 O ATOM 544 CB VAL A 27 -2.264 -3.400 -26.716 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.738 -3.390 -26.529 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.905 -4.329 -25.663 1.00 0.00 C ATOM 0 H VAL A 27 -4.720 -2.925 -26.684 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.498 -1.584 -25.572 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.506 -3.762 -27.715 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.350 -4.401 -26.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.285 -2.734 -27.272 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.496 -3.028 -25.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.518 -5.341 -25.787 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.663 -3.968 -24.664 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.987 -4.335 -25.794 1.00 0.00 H new ATOM 556 N LEU A 28 -1.737 0.083 -27.234 1.00 0.00 N ATOM 557 CA LEU A 28 -1.142 1.035 -28.216 1.00 0.00 C ATOM 558 C LEU A 28 0.325 0.682 -28.385 1.00 0.00 C ATOM 559 O LEU A 28 0.898 0.856 -29.447 1.00 0.00 O ATOM 560 CB LEU A 28 -1.212 2.503 -27.713 1.00 0.00 C ATOM 561 CG LEU A 28 -2.475 2.769 -26.862 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.062 3.251 -25.458 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.331 3.846 -27.542 1.00 0.00 C ATOM 0 H LEU A 28 -1.712 0.397 -26.264 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.701 0.955 -29.148 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.324 2.725 -27.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.203 3.179 -28.568 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.051 1.848 -26.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.954 3.438 -24.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.455 2.486 -24.974 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.484 4.171 -25.545 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.222 4.035 -26.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.754 4.766 -27.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.626 3.503 -28.534 1.00 0.00 H new ATOM 575 N ASN A 29 0.950 0.201 -27.331 1.00 0.00 N ATOM 576 CA ASN A 29 2.398 -0.146 -27.424 1.00 0.00 C ATOM 577 C ASN A 29 2.753 -1.188 -26.365 1.00 0.00 C ATOM 578 O ASN A 29 1.964 -1.491 -25.491 1.00 0.00 O ATOM 579 CB ASN A 29 3.235 1.120 -27.202 1.00 0.00 C ATOM 580 CG ASN A 29 4.458 1.095 -28.124 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.396 1.557 -29.246 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.572 0.572 -27.696 1.00 0.00 N ATOM 0 H ASN A 29 0.520 0.037 -26.421 1.00 0.00 H new ATOM 0 HA ASN A 29 2.609 -0.558 -28.411 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.633 2.006 -27.403 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.553 1.180 -26.161 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.392 0.551 -28.303 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.624 0.184 -26.754 1.00 0.00 H new ATOM 673 N TRP A 36 3.408 -5.854 -18.269 1.00 0.00 N ATOM 674 CA TRP A 36 2.432 -4.718 -18.380 1.00 0.00 C ATOM 675 C TRP A 36 2.460 -4.208 -19.834 1.00 0.00 C ATOM 676 O TRP A 36 3.475 -4.295 -20.501 1.00 0.00 O ATOM 677 CB TRP A 36 2.808 -3.558 -17.426 1.00 0.00 C ATOM 678 CG TRP A 36 3.053 -4.044 -16.007 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.990 -4.958 -15.629 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.390 -3.619 -14.764 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.938 -5.113 -14.256 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.981 -4.314 -13.679 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.346 -2.710 -14.467 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.568 -4.114 -12.362 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.933 -2.512 -13.133 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.546 -3.210 -12.088 1.00 0.00 C ATOM 0 HA TRP A 36 1.438 -5.071 -18.104 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.703 -3.059 -17.798 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.008 -2.818 -17.423 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.664 -5.477 -16.294 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.541 -5.747 -13.732 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.864 -2.166 -15.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.040 -4.659 -11.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.137 -1.815 -12.917 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.227 -3.048 -11.069 1.00 0.00 H new ATOM 697 N TYR A 37 1.359 -3.683 -20.335 1.00 0.00 N ATOM 698 CA TYR A 37 1.344 -3.182 -21.751 1.00 0.00 C ATOM 699 C TYR A 37 0.753 -1.790 -21.822 1.00 0.00 C ATOM 700 O TYR A 37 -0.208 -1.485 -21.147 1.00 0.00 O ATOM 701 CB TYR A 37 0.440 -4.041 -22.638 1.00 0.00 C ATOM 702 CG TYR A 37 0.529 -5.500 -22.313 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.752 -6.171 -22.366 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.641 -6.186 -21.985 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.804 -7.539 -22.088 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.599 -7.543 -21.703 1.00 0.00 C ATOM 707 CZ TYR A 37 0.629 -8.229 -21.755 1.00 0.00 C ATOM 708 OH TYR A 37 0.682 -9.580 -21.484 1.00 0.00 O ATOM 0 H TYR A 37 0.479 -3.581 -19.829 1.00 0.00 H new ATOM 0 HA TYR A 37 2.380 -3.208 -22.088 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.593 -3.710 -22.526 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.712 -3.888 -23.682 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.654 -5.635 -22.621 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.583 -5.658 -21.951 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.747 -8.064 -22.129 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.505 -8.071 -21.445 1.00 0.00 H new ATOM 0 HH TYR A 37 1.613 -9.847 -21.333 1.00 0.00 H new ATOM 718 N LYS A 38 1.259 -0.972 -22.705 1.00 0.00 N ATOM 719 CA LYS A 38 0.663 0.369 -22.889 1.00 0.00 C ATOM 720 C LYS A 38 -0.664 0.162 -23.619 1.00 0.00 C ATOM 721 O LYS A 38 -0.757 -0.651 -24.523 1.00 0.00 O ATOM 722 CB LYS A 38 1.583 1.240 -23.729 1.00 0.00 C ATOM 723 CG LYS A 38 1.037 2.662 -23.738 1.00 0.00 C ATOM 724 CD LYS A 38 1.445 3.366 -25.037 1.00 0.00 C ATOM 725 CE LYS A 38 2.216 4.647 -24.699 1.00 0.00 C ATOM 726 NZ LYS A 38 2.077 5.623 -25.816 1.00 0.00 N ATOM 0 H LYS A 38 2.059 -1.180 -23.303 1.00 0.00 H new ATOM 0 HA LYS A 38 0.515 0.866 -21.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.593 1.226 -23.320 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.645 0.853 -24.746 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.049 2.645 -23.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.419 3.214 -22.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.064 2.705 -25.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.561 3.605 -25.628 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.834 5.080 -23.775 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.268 4.417 -24.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.601 6.491 -25.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.461 5.209 -26.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.072 5.851 -25.955 1.00 0.00 H new ATOM 740 N ALA A 39 -1.691 0.865 -23.231 1.00 0.00 N ATOM 741 CA ALA A 39 -3.017 0.679 -23.896 1.00 0.00 C ATOM 742 C ALA A 39 -3.940 1.770 -23.520 1.00 0.00 C ATOM 743 O ALA A 39 -3.565 2.702 -22.836 1.00 0.00 O ATOM 744 CB ALA A 39 -3.600 -0.665 -23.496 1.00 0.00 C ATOM 0 H ALA A 39 -1.673 1.560 -22.484 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.880 0.704 -24.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.567 -0.801 -23.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.924 -1.462 -23.806 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.729 -0.698 -22.414 1.00 0.00 H new ATOM 750 N GLU A 40 -5.144 1.715 -24.017 1.00 0.00 N ATOM 751 CA GLU A 40 -6.057 2.816 -23.737 1.00 0.00 C ATOM 752 C GLU A 40 -7.533 2.413 -23.779 1.00 0.00 C ATOM 753 O GLU A 40 -8.004 1.722 -24.653 1.00 0.00 O ATOM 754 CB GLU A 40 -5.702 3.930 -24.740 1.00 0.00 C ATOM 755 CG GLU A 40 -6.880 4.346 -25.638 1.00 0.00 C ATOM 756 CD GLU A 40 -6.378 5.200 -26.804 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.943 4.628 -27.787 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.450 6.413 -26.699 1.00 0.00 O ATOM 0 H GLU A 40 -5.516 0.961 -24.594 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.930 3.164 -22.712 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.348 4.803 -24.191 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.878 3.593 -25.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.388 3.460 -26.019 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.611 4.906 -25.055 1.00 0.00 H new ATOM 765 N LEU A 41 -8.242 2.908 -22.832 1.00 0.00 N ATOM 766 CA LEU A 41 -9.707 2.648 -22.737 1.00 0.00 C ATOM 767 C LEU A 41 -10.512 3.749 -23.336 1.00 0.00 C ATOM 768 O LEU A 41 -10.853 4.727 -22.706 1.00 0.00 O ATOM 769 CB LEU A 41 -10.131 2.444 -21.298 1.00 0.00 C ATOM 770 CG LEU A 41 -10.032 0.985 -20.990 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.950 0.790 -19.480 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.277 0.298 -21.544 1.00 0.00 C ATOM 0 H LEU A 41 -7.869 3.501 -22.091 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.897 1.737 -23.304 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.493 3.019 -20.627 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.151 2.797 -21.148 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.139 0.556 -21.444 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.878 -0.274 -19.254 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.069 1.304 -19.094 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.844 1.201 -19.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.228 -0.770 -21.331 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.165 0.721 -21.075 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.328 0.451 -22.622 1.00 0.00 H new ATOM 784 N ASN A 42 -10.871 3.535 -24.545 1.00 0.00 N ATOM 785 CA ASN A 42 -11.741 4.485 -25.300 1.00 0.00 C ATOM 786 C ASN A 42 -11.419 5.981 -25.042 1.00 0.00 C ATOM 787 O ASN A 42 -12.282 6.831 -25.193 1.00 0.00 O ATOM 788 CB ASN A 42 -13.168 4.235 -24.873 1.00 0.00 C ATOM 789 CG ASN A 42 -13.812 3.183 -25.779 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.465 3.067 -26.937 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.742 2.405 -25.296 1.00 0.00 N ATOM 0 H ASN A 42 -10.594 2.711 -25.078 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.569 4.305 -26.361 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.192 3.897 -23.837 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.737 5.163 -24.919 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.177 1.700 -25.891 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.034 2.502 -24.323 1.00 0.00 H new ATOM 798 N GLY A 43 -10.226 6.305 -24.660 1.00 0.00 N ATOM 799 CA GLY A 43 -9.890 7.743 -24.393 1.00 0.00 C ATOM 800 C GLY A 43 -8.761 7.815 -23.377 1.00 0.00 C ATOM 801 O GLY A 43 -7.785 8.518 -23.574 1.00 0.00 O ATOM 0 H GLY A 43 -9.461 5.646 -24.518 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.594 8.237 -25.318 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.767 8.270 -24.017 1.00 0.00 H new ATOM 805 N LYS A 44 -8.863 7.057 -22.309 1.00 0.00 N ATOM 806 CA LYS A 44 -7.800 7.039 -21.322 1.00 0.00 C ATOM 807 C LYS A 44 -6.729 6.170 -21.851 1.00 0.00 C ATOM 808 O LYS A 44 -6.938 5.400 -22.769 1.00 0.00 O ATOM 809 CB LYS A 44 -8.286 6.500 -19.985 1.00 0.00 C ATOM 810 CG LYS A 44 -8.792 7.659 -19.131 1.00 0.00 C ATOM 811 CD LYS A 44 -10.325 7.640 -19.062 1.00 0.00 C ATOM 812 CE LYS A 44 -10.905 8.107 -20.396 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.223 8.765 -20.162 1.00 0.00 N ATOM 0 H LYS A 44 -9.657 6.452 -22.100 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.443 8.054 -21.148 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.082 5.772 -20.141 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.476 5.981 -19.472 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.375 7.589 -18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.452 8.605 -19.552 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.676 6.634 -18.834 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.671 8.288 -18.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.219 8.803 -20.879 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.025 7.259 -21.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.618 9.083 -21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.876 8.087 -19.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.095 9.584 -19.534 1.00 0.00 H new ATOM 827 N ASP A 45 -5.579 6.305 -21.321 1.00 0.00 N ATOM 828 CA ASP A 45 -4.455 5.518 -21.806 1.00 0.00 C ATOM 829 C ASP A 45 -3.485 5.188 -20.656 1.00 0.00 C ATOM 830 O ASP A 45 -3.680 5.595 -19.526 1.00 0.00 O ATOM 831 CB ASP A 45 -3.706 6.322 -22.873 1.00 0.00 C ATOM 832 CG ASP A 45 -4.669 7.093 -23.796 1.00 0.00 C ATOM 833 OD1 ASP A 45 -5.325 8.001 -23.313 1.00 0.00 O ATOM 834 OD2 ASP A 45 -4.723 6.764 -24.968 1.00 0.00 O ATOM 0 H ASP A 45 -5.363 6.942 -20.554 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.834 4.586 -22.225 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.028 7.025 -22.388 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.093 5.648 -23.471 1.00 0.00 H new ATOM 839 N GLY A 46 -2.424 4.469 -20.957 1.00 0.00 N ATOM 840 CA GLY A 46 -1.408 4.125 -19.907 1.00 0.00 C ATOM 841 C GLY A 46 -1.149 2.606 -19.846 1.00 0.00 C ATOM 842 O GLY A 46 -1.880 1.813 -20.393 1.00 0.00 O ATOM 0 H GLY A 46 -2.219 4.105 -21.888 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.474 4.646 -20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.755 4.475 -18.935 1.00 0.00 H new ATOM 846 N PHE A 47 -0.082 2.215 -19.175 1.00 0.00 N ATOM 847 CA PHE A 47 0.288 0.754 -19.074 1.00 0.00 C ATOM 848 C PHE A 47 -0.731 -0.026 -18.242 1.00 0.00 C ATOM 849 O PHE A 47 -1.490 0.544 -17.496 1.00 0.00 O ATOM 850 CB PHE A 47 1.654 0.637 -18.401 1.00 0.00 C ATOM 851 CG PHE A 47 2.713 1.200 -19.312 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.133 0.468 -20.426 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.274 2.453 -19.043 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.114 0.988 -21.274 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.257 2.974 -19.891 1.00 0.00 C ATOM 856 CZ PHE A 47 4.678 2.242 -21.008 1.00 0.00 C ATOM 0 H PHE A 47 0.553 2.848 -18.690 1.00 0.00 H new ATOM 0 HA PHE A 47 0.306 0.337 -20.081 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.651 1.175 -17.453 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.871 -0.407 -18.175 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.699 -0.500 -20.631 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.949 3.017 -18.182 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.438 0.423 -22.135 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.691 3.941 -19.684 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.437 2.644 -21.663 1.00 0.00 H new ATOM 866 N ILE A 48 -0.738 -1.349 -18.354 1.00 0.00 N ATOM 867 CA ILE A 48 -1.699 -2.158 -17.543 1.00 0.00 C ATOM 868 C ILE A 48 -1.052 -3.522 -17.198 1.00 0.00 C ATOM 869 O ILE A 48 -0.608 -4.209 -18.083 1.00 0.00 O ATOM 870 CB ILE A 48 -3.004 -2.395 -18.330 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.691 -2.721 -19.802 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.867 -1.138 -18.260 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.989 -3.038 -20.553 1.00 0.00 C ATOM 0 H ILE A 48 -0.124 -1.886 -18.966 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.935 -1.614 -16.628 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.537 -3.238 -17.890 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.186 -1.877 -20.271 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.011 -3.571 -19.859 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.791 -1.300 -18.815 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.103 -0.916 -17.219 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.324 -0.299 -18.696 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.760 -3.268 -21.594 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.477 -3.896 -20.091 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.654 -2.176 -20.509 1.00 0.00 H new ATOM 885 N PRO A 49 -1.026 -3.900 -15.920 1.00 0.00 N ATOM 886 CA PRO A 49 -0.437 -5.186 -15.524 1.00 0.00 C ATOM 887 C PRO A 49 -1.264 -6.326 -16.091 1.00 0.00 C ATOM 888 O PRO A 49 -2.368 -6.551 -15.690 1.00 0.00 O ATOM 889 CB PRO A 49 -0.466 -5.169 -13.992 1.00 0.00 C ATOM 890 CG PRO A 49 -1.540 -4.115 -13.604 1.00 0.00 C ATOM 891 CD PRO A 49 -1.597 -3.129 -14.798 1.00 0.00 C ATOM 0 HA PRO A 49 0.577 -5.329 -15.899 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.720 -6.152 -13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.509 -4.903 -13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.509 -4.585 -13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.271 -3.600 -12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.619 -2.814 -15.008 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.020 -2.226 -14.599 1.00 0.00 H new ATOM 899 N LYS A 50 -0.717 -7.016 -17.048 1.00 0.00 N ATOM 900 CA LYS A 50 -1.425 -8.153 -17.721 1.00 0.00 C ATOM 901 C LYS A 50 -2.028 -9.163 -16.705 1.00 0.00 C ATOM 902 O LYS A 50 -2.899 -9.923 -17.055 1.00 0.00 O ATOM 903 CB LYS A 50 -0.401 -8.838 -18.611 1.00 0.00 C ATOM 904 CG LYS A 50 -0.993 -10.045 -19.348 1.00 0.00 C ATOM 905 CD LYS A 50 0.048 -11.161 -19.338 1.00 0.00 C ATOM 906 CE LYS A 50 -0.127 -12.051 -20.572 1.00 0.00 C ATOM 907 NZ LYS A 50 1.184 -12.658 -20.933 1.00 0.00 N ATOM 0 H LYS A 50 0.221 -6.838 -17.407 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.269 -7.772 -18.296 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.017 -8.123 -19.338 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.445 -9.163 -18.006 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.911 -10.376 -18.862 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.254 -9.776 -20.372 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.051 -10.734 -19.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.055 -11.758 -18.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.859 -12.833 -20.369 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.511 -11.464 -21.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.068 -13.263 -21.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.869 -11.904 -21.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.532 -13.231 -20.138 1.00 0.00 H new ATOM 921 N ASN A 51 -1.586 -9.190 -15.461 1.00 0.00 N ATOM 922 CA ASN A 51 -2.159 -10.139 -14.481 1.00 0.00 C ATOM 923 C ASN A 51 -3.669 -9.912 -14.360 1.00 0.00 C ATOM 924 O ASN A 51 -4.449 -10.837 -14.234 1.00 0.00 O ATOM 925 CB ASN A 51 -1.485 -9.913 -13.170 1.00 0.00 C ATOM 926 CG ASN A 51 -0.245 -10.803 -13.052 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.196 -11.689 -12.222 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.766 -10.606 -13.853 1.00 0.00 N ATOM 0 H ASN A 51 -0.849 -8.587 -15.096 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.999 -11.168 -14.804 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.200 -8.865 -13.075 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.176 -10.130 -12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.595 -11.195 -13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.727 -9.863 -14.550 1.00 0.00 H new ATOM 935 N TYR A 52 -4.071 -8.683 -14.446 1.00 0.00 N ATOM 936 CA TYR A 52 -5.511 -8.325 -14.396 1.00 0.00 C ATOM 937 C TYR A 52 -5.969 -8.114 -15.821 1.00 0.00 C ATOM 938 O TYR A 52 -6.730 -7.211 -16.116 1.00 0.00 O ATOM 939 CB TYR A 52 -5.663 -7.006 -13.629 1.00 0.00 C ATOM 940 CG TYR A 52 -5.707 -7.216 -12.177 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.574 -7.631 -11.482 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.880 -6.941 -11.513 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.632 -7.771 -10.110 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.950 -7.079 -10.151 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.825 -7.493 -9.430 1.00 0.00 C ATOM 946 OH TYR A 52 -5.891 -7.629 -8.059 1.00 0.00 O ATOM 0 H TYR A 52 -3.443 -7.886 -14.552 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.095 -9.105 -13.907 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.831 -6.346 -13.875 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.575 -6.503 -13.950 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.657 -7.842 -12.012 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.748 -6.615 -12.066 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.759 -8.094 -9.562 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.874 -6.868 -9.634 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.683 -6.770 -7.635 1.00 0.00 H new ATOM 956 N ILE A 53 -5.469 -8.925 -16.725 1.00 0.00 N ATOM 957 CA ILE A 53 -5.816 -8.778 -18.158 1.00 0.00 C ATOM 958 C ILE A 53 -5.419 -10.036 -18.944 1.00 0.00 C ATOM 959 O ILE A 53 -4.879 -10.990 -18.419 1.00 0.00 O ATOM 960 CB ILE A 53 -5.055 -7.587 -18.811 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.375 -6.693 -17.774 1.00 0.00 C ATOM 962 CG2 ILE A 53 -6.009 -6.733 -19.635 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.533 -5.667 -18.483 1.00 0.00 C ATOM 0 H ILE A 53 -4.827 -9.690 -16.518 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.892 -8.610 -18.197 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.286 -8.023 -19.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.124 -6.201 -17.153 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.755 -7.294 -17.109 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.461 -5.905 -20.084 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.455 -7.342 -20.421 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.795 -6.340 -18.990 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.045 -5.026 -17.749 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.776 -6.170 -19.085 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.167 -5.060 -19.130 1.00 0.00 H new ATOM 975 N GLU A 54 -5.642 -9.976 -20.223 1.00 0.00 N ATOM 976 CA GLU A 54 -5.264 -11.046 -21.136 1.00 0.00 C ATOM 977 C GLU A 54 -5.148 -10.414 -22.526 1.00 0.00 C ATOM 978 O GLU A 54 -5.734 -9.377 -22.786 1.00 0.00 O ATOM 979 CB GLU A 54 -6.295 -12.147 -21.131 1.00 0.00 C ATOM 980 CG GLU A 54 -5.728 -13.398 -20.450 1.00 0.00 C ATOM 981 CD GLU A 54 -5.180 -14.355 -21.509 1.00 0.00 C ATOM 982 OE1 GLU A 54 -5.784 -14.447 -22.566 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.165 -14.980 -21.247 1.00 0.00 O ATOM 0 H GLU A 54 -6.094 -9.183 -20.679 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.320 -11.500 -20.834 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.191 -11.814 -20.608 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.591 -12.383 -22.153 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.937 -13.119 -19.754 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.506 -13.891 -19.867 1.00 0.00 H new ATOM 990 N MET A 55 -4.381 -10.998 -23.390 1.00 0.00 N ATOM 991 CA MET A 55 -4.170 -10.387 -24.747 1.00 0.00 C ATOM 992 C MET A 55 -5.098 -10.974 -25.802 1.00 0.00 C ATOM 993 O MET A 55 -4.951 -12.112 -26.209 1.00 0.00 O ATOM 994 CB MET A 55 -2.722 -10.625 -25.174 1.00 0.00 C ATOM 995 CG MET A 55 -2.391 -9.727 -26.365 1.00 0.00 C ATOM 996 SD MET A 55 -0.630 -9.309 -26.341 1.00 0.00 S ATOM 997 CE MET A 55 -0.687 -8.016 -27.604 1.00 0.00 C ATOM 0 H MET A 55 -3.884 -11.874 -23.227 1.00 0.00 H new ATOM 0 HA MET A 55 -4.392 -9.323 -24.669 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.047 -10.412 -24.345 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.577 -11.672 -25.442 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.642 -10.234 -27.296 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.991 -8.818 -26.326 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.293 -7.920 -28.071 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.426 -8.279 -28.361 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.963 -7.068 -27.142 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.043 -10.186 -26.276 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.949 -10.654 -27.309 1.00 0.00 C ATOM 1009 C LYS A 56 -6.553 -10.095 -28.682 1.00 0.00 C ATOM 1010 O LYS A 56 -6.093 -8.954 -28.786 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.347 -10.235 -26.973 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.004 -11.328 -26.146 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.412 -10.889 -25.708 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.253 -10.538 -26.942 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.624 -10.133 -26.519 1.00 0.00 N ATOM 0 H LYS A 56 -6.204 -9.227 -25.967 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.891 -11.741 -27.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.336 -9.297 -26.417 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.917 -10.059 -27.885 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.067 -12.247 -26.729 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.394 -11.547 -25.269 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.893 -11.688 -25.144 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.344 -10.026 -25.045 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.780 -9.729 -27.498 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.308 -11.396 -27.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.328 -10.624 -27.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.769 -10.387 -25.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.733 -9.105 -26.634 1.00 0.00 H new