USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 345 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 132 CYS SG : rot -144:sc= 0.301 USER MOD Set 1.2: X 135 CYS SG : rot 180:sc= 1.75 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -2.66! C(o=-1.6!,f=-9.1!) USER MOD Set 1.4: X 157 CYS SG : rot -141:sc= -0.995 USER MOD Set 2.1: X 118 HIS : no HD1:sc= -1.7 K(o=-1.8,f=-6.2) USER MOD Set 2.2: X 146 CYS SG : rot -175:sc= 2.72 USER MOD Set 2.3: X 148 ASN : amide:sc= -0.94 K(o=-1.8,f=-6.5!) USER MOD Set 2.4: X 149 CYS SG : rot -56:sc= -2.18! USER MOD Set 2.5: X 165 CYS SG : rot -85:sc= 0.305 USER MOD Single : X 142 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : X 150 LYS NZ :NH3+ -178:sc= 0.519 (180deg=0.495) USER MOD Single : X 152 THR OG1 : rot -170:sc= 0.0537 USER MOD Single : X 153 CYS SG : rot -117:sc= -0.691 USER MOD Single : X 155 SER OG : rot -8:sc= 0.883 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc= 0.627 K(o=0.63,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.700 -6.918 -5.699 1.00 0.00 N ATOM 153 CA HIS X 118 12.093 -7.454 -4.479 1.00 0.00 C ATOM 154 C HIS X 118 11.710 -8.914 -4.702 1.00 0.00 C ATOM 155 O HIS X 118 10.945 -9.230 -5.615 1.00 0.00 O ATOM 156 CB HIS X 118 10.843 -6.697 -4.079 1.00 0.00 C ATOM 157 CG HIS X 118 11.092 -5.324 -3.551 1.00 0.00 C ATOM 158 ND1 HIS X 118 12.040 -5.047 -2.572 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.449 -4.147 -3.841 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.942 -3.706 -2.335 1.00 0.00 C ATOM 161 NE2 HIS X 118 11.002 -3.161 -3.087 1.00 0.00 N ATOM 0 HA HIS X 118 12.830 -7.352 -3.682 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.184 -6.626 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.312 -7.273 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.641 -4.025 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.551 -3.163 -1.627 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.738 -2.176 -3.099 1.00 0.00 H new ATOM 169 N ARG X 119 12.218 -9.802 -3.856 1.00 0.00 N ATOM 170 CA ARG X 119 11.899 -11.222 -3.982 1.00 0.00 C ATOM 171 C ARG X 119 10.410 -11.472 -3.807 1.00 0.00 C ATOM 172 O ARG X 119 9.857 -12.297 -4.518 1.00 0.00 O ATOM 173 CB ARG X 119 12.762 -12.085 -3.049 1.00 0.00 C ATOM 174 CG ARG X 119 12.518 -11.865 -1.566 1.00 0.00 C ATOM 175 CD ARG X 119 13.526 -12.618 -0.724 1.00 0.00 C ATOM 176 NE ARG X 119 13.487 -14.072 -0.852 1.00 0.00 N ATOM 177 CZ ARG X 119 14.247 -14.882 -0.138 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.079 -14.395 0.744 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.172 -16.170 -0.310 1.00 0.00 N ATOM 0 H ARG X 119 12.844 -9.571 -3.085 1.00 0.00 H new ATOM 0 HA ARG X 119 12.149 -11.531 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.582 -13.135 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.812 -11.887 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.576 -10.800 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.510 -12.191 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.525 -12.273 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.367 -12.358 0.322 1.00 0.00 H new ATOM 0 HE ARG X 119 12.841 -14.482 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.143 -13.386 0.883 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.665 -15.023 1.294 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.525 -16.556 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.760 -16.793 0.243 1.00 0.00 H new ATOM 193 N PHE X 120 9.755 -10.784 -2.875 1.00 0.00 N ATOM 194 CA PHE X 120 8.304 -10.953 -2.700 1.00 0.00 C ATOM 195 C PHE X 120 7.859 -12.403 -2.534 1.00 0.00 C ATOM 196 O PHE X 120 7.148 -12.935 -3.377 1.00 0.00 O ATOM 197 CB PHE X 120 7.495 -10.264 -3.800 1.00 0.00 C ATOM 198 CG PHE X 120 7.433 -8.767 -3.671 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.947 -8.187 -2.507 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.804 -7.942 -4.717 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.860 -6.821 -2.378 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.703 -6.557 -4.593 1.00 0.00 C ATOM 203 CZ PHE X 120 7.242 -5.999 -3.417 1.00 0.00 C ATOM 0 H PHE X 120 10.189 -10.116 -2.238 1.00 0.00 H new ATOM 0 HA PHE X 120 8.089 -10.454 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.929 -10.517 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.480 -10.661 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.632 -8.819 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.174 -8.373 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.491 -6.390 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.986 -5.920 -5.418 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.181 -4.926 -3.312 1.00 0.00 H new ATOM 213 N VAL X 121 8.311 -13.056 -1.485 1.00 0.00 N ATOM 214 CA VAL X 121 7.929 -14.462 -1.255 1.00 0.00 C ATOM 215 C VAL X 121 6.420 -14.558 -0.983 1.00 0.00 C ATOM 216 O VAL X 121 5.920 -14.141 0.054 1.00 0.00 O ATOM 217 CB VAL X 121 8.645 -15.089 -0.058 1.00 0.00 C ATOM 218 CG1 VAL X 121 8.366 -16.584 0.009 1.00 0.00 C ATOM 219 CG2 VAL X 121 10.140 -14.801 -0.085 1.00 0.00 C ATOM 0 H VAL X 121 8.933 -12.659 -0.781 1.00 0.00 H new ATOM 0 HA VAL X 121 8.215 -15.002 -2.158 1.00 0.00 H new ATOM 0 HB VAL X 121 8.249 -14.630 0.848 1.00 0.00 H new ATOM 0 HG11 VAL X 121 8.884 -17.013 0.867 1.00 0.00 H new ATOM 0 HG12 VAL X 121 7.294 -16.750 0.112 1.00 0.00 H new ATOM 0 HG13 VAL X 121 8.721 -17.062 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.615 -15.262 0.781 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.573 -15.211 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL X 121 10.304 -13.724 -0.058 1.00 0.00 H new ATOM 229 N GLU X 122 5.701 -15.098 -1.948 1.00 0.00 N ATOM 230 CA GLU X 122 4.242 -15.257 -1.858 1.00 0.00 C ATOM 231 C GLU X 122 3.838 -16.514 -1.086 1.00 0.00 C ATOM 232 O GLU X 122 4.136 -17.625 -1.520 1.00 0.00 O ATOM 233 CB GLU X 122 3.639 -15.327 -3.266 1.00 0.00 C ATOM 234 CG GLU X 122 2.110 -15.443 -3.275 1.00 0.00 C ATOM 235 CD GLU X 122 1.521 -15.485 -4.684 1.00 0.00 C ATOM 236 OE1 GLU X 122 2.304 -15.531 -5.661 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.280 -15.404 -4.778 1.00 0.00 O ATOM 0 H GLU X 122 6.101 -15.442 -2.821 1.00 0.00 H new ATOM 0 HA GLU X 122 3.860 -14.391 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.930 -14.436 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU X 122 4.063 -16.183 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.817 -16.345 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.684 -14.598 -2.735 1.00 0.00 H new ATOM 244 N LEU X 123 3.161 -16.363 0.047 1.00 0.00 N ATOM 245 CA LEU X 123 2.735 -17.540 0.816 1.00 0.00 C ATOM 246 C LEU X 123 1.231 -17.763 0.674 1.00 0.00 C ATOM 247 O LEU X 123 0.462 -16.822 0.463 1.00 0.00 O ATOM 248 CB LEU X 123 3.069 -17.435 2.306 1.00 0.00 C ATOM 249 CG LEU X 123 2.295 -16.464 3.204 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.865 -16.637 4.572 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.392 -15.013 2.813 1.00 0.00 C ATOM 0 H LEU X 123 2.898 -15.464 0.451 1.00 0.00 H new ATOM 0 HA LEU X 123 3.289 -18.382 0.401 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.955 -18.431 2.734 1.00 0.00 H new ATOM 0 HB3 LEU X 123 4.125 -17.174 2.383 1.00 0.00 H new ATOM 0 HG LEU X 123 1.234 -16.703 3.125 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.354 -15.969 5.266 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.729 -17.669 4.895 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.929 -16.399 4.556 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.811 -14.409 3.510 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.435 -14.697 2.842 1.00 0.00 H new ATOM 0 HD23 LEU X 123 2.001 -14.881 1.804 1.00 0.00 H new ATOM 330 N PRO X 129 -6.981 -14.857 8.887 1.00 0.00 N ATOM 331 CA PRO X 129 -6.644 -13.534 8.352 1.00 0.00 C ATOM 332 C PRO X 129 -5.145 -13.303 8.226 1.00 0.00 C ATOM 333 O PRO X 129 -4.343 -13.956 8.887 1.00 0.00 O ATOM 334 CB PRO X 129 -7.187 -12.587 9.432 1.00 0.00 C ATOM 335 CG PRO X 129 -7.069 -13.384 10.685 1.00 0.00 C ATOM 336 CD PRO X 129 -7.487 -14.767 10.270 1.00 0.00 C ATOM 0 HA PRO X 129 -7.052 -13.398 7.350 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.607 -11.666 9.486 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.220 -12.302 9.233 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.050 -13.373 11.072 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.713 -12.991 11.472 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.050 -15.532 10.912 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.569 -14.894 10.315 1.00 0.00 H new ATOM 344 N GLY X 130 -4.769 -12.349 7.394 1.00 0.00 N ATOM 345 CA GLY X 130 -3.376 -12.004 7.231 1.00 0.00 C ATOM 346 C GLY X 130 -3.526 -10.523 7.049 1.00 0.00 C ATOM 347 O GLY X 130 -4.630 -10.104 6.725 1.00 0.00 O ATOM 0 H GLY X 130 -5.412 -11.801 6.822 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.773 -12.263 8.101 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.919 -12.491 6.370 1.00 0.00 H new ATOM 351 N TRP X 131 -2.487 -9.733 7.245 1.00 0.00 N ATOM 352 CA TRP X 131 -2.600 -8.280 7.111 1.00 0.00 C ATOM 353 C TRP X 131 -1.547 -7.651 6.183 1.00 0.00 C ATOM 354 O TRP X 131 -0.358 -7.923 6.343 1.00 0.00 O ATOM 355 CB TRP X 131 -2.476 -7.720 8.526 1.00 0.00 C ATOM 356 CG TRP X 131 -3.638 -8.204 9.375 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.709 -9.346 10.127 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.908 -7.552 9.549 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.933 -9.452 10.729 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.689 -8.362 10.402 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.459 -6.366 9.070 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.982 -8.017 10.776 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.738 -6.013 9.448 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.491 -6.839 10.297 1.00 0.00 C ATOM 0 H TRP X 131 -1.556 -10.064 7.497 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.553 -8.035 6.642 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.532 -8.036 8.971 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.465 -6.630 8.496 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.909 -10.064 10.231 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.233 -10.222 11.327 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.890 -5.729 8.409 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.566 -8.656 11.422 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.165 -5.089 9.086 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.490 -6.540 10.578 1.00 0.00 H new ATOM 375 N CYS X 132 -1.975 -6.827 5.229 1.00 0.00 N ATOM 376 CA CYS X 132 -1.046 -6.128 4.332 1.00 0.00 C ATOM 377 C CYS X 132 -0.541 -5.024 5.232 1.00 0.00 C ATOM 378 O CYS X 132 -1.273 -4.072 5.455 1.00 0.00 O ATOM 379 CB CYS X 132 -1.789 -5.545 3.133 1.00 0.00 C ATOM 380 SG CYS X 132 -0.794 -4.521 2.048 1.00 0.00 S ATOM 0 H CYS X 132 -2.959 -6.624 5.054 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.264 -6.762 3.913 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.207 -6.366 2.550 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.628 -4.953 3.498 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.515 -3.537 1.599 1.00 0.00 H new ATOM 385 N ASP X 133 0.678 -5.126 5.735 1.00 0.00 N ATOM 386 CA ASP X 133 1.182 -4.105 6.680 1.00 0.00 C ATOM 387 C ASP X 133 1.084 -2.705 6.086 1.00 0.00 C ATOM 388 O ASP X 133 0.785 -1.736 6.776 1.00 0.00 O ATOM 389 CB ASP X 133 2.577 -4.468 7.214 1.00 0.00 C ATOM 390 CG ASP X 133 3.642 -4.479 6.146 1.00 0.00 C ATOM 391 OD1 ASP X 133 3.908 -3.408 5.579 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.336 -5.519 6.068 1.00 0.00 O ATOM 0 H ASP X 133 1.333 -5.878 5.522 1.00 0.00 H new ATOM 0 HA ASP X 133 0.535 -4.095 7.557 1.00 0.00 H new ATOM 0 HB2 ASP X 133 2.858 -3.756 7.990 1.00 0.00 H new ATOM 0 HB3 ASP X 133 2.534 -5.450 7.684 1.00 0.00 H new ATOM 397 N LEU X 134 1.288 -2.636 4.787 1.00 0.00 N ATOM 398 CA LEU X 134 1.174 -1.412 4.030 1.00 0.00 C ATOM 399 C LEU X 134 -0.254 -0.830 4.102 1.00 0.00 C ATOM 400 O LEU X 134 -0.448 0.351 4.378 1.00 0.00 O ATOM 401 CB LEU X 134 1.561 -1.736 2.593 1.00 0.00 C ATOM 402 CG LEU X 134 1.031 -0.817 1.504 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.530 0.601 1.623 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.461 -1.402 0.206 1.00 0.00 C ATOM 0 H LEU X 134 1.542 -3.445 4.220 1.00 0.00 H new ATOM 0 HA LEU X 134 1.834 -0.650 4.445 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.649 -1.741 2.530 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.224 -2.749 2.373 1.00 0.00 H new ATOM 0 HG LEU X 134 -0.054 -0.753 1.591 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.113 1.202 0.815 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.220 1.017 2.582 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.618 0.610 1.558 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.103 -0.776 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.549 -1.455 0.173 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.046 -2.405 0.103 1.00 0.00 H new ATOM 416 N CYS X 135 -1.248 -1.665 3.818 1.00 0.00 N ATOM 417 CA CYS X 135 -2.647 -1.227 3.835 1.00 0.00 C ATOM 418 C CYS X 135 -3.280 -1.125 5.222 1.00 0.00 C ATOM 419 O CYS X 135 -4.188 -0.328 5.453 1.00 0.00 O ATOM 420 CB CYS X 135 -3.498 -2.205 3.012 1.00 0.00 C ATOM 421 SG CYS X 135 -3.367 -2.014 1.253 1.00 0.00 S ATOM 0 H CYS X 135 -1.116 -2.646 3.574 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.631 -0.220 3.418 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.211 -3.223 3.274 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.543 -2.085 3.299 1.00 0.00 H new ATOM 0 HG CYS X 135 -4.124 -2.891 0.664 1.00 0.00 H new ATOM 426 N GLY X 136 -2.837 -1.991 6.113 1.00 0.00 N ATOM 427 CA GLY X 136 -3.378 -2.058 7.458 1.00 0.00 C ATOM 428 C GLY X 136 -4.645 -2.895 7.427 1.00 0.00 C ATOM 429 O GLY X 136 -5.274 -3.142 8.446 1.00 0.00 O ATOM 0 H GLY X 136 -2.095 -2.666 5.927 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.649 -2.499 8.138 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.595 -1.056 7.829 1.00 0.00 H new ATOM 433 N ARG X 137 -5.018 -3.328 6.225 1.00 0.00 N ATOM 434 CA ARG X 137 -6.213 -4.134 6.001 1.00 0.00 C ATOM 435 C ARG X 137 -5.895 -5.615 5.802 1.00 0.00 C ATOM 436 O ARG X 137 -4.737 -6.006 5.673 1.00 0.00 O ATOM 437 CB ARG X 137 -6.892 -3.571 4.762 1.00 0.00 C ATOM 438 CG ARG X 137 -7.361 -2.141 4.984 1.00 0.00 C ATOM 439 CD ARG X 137 -7.878 -1.524 3.725 1.00 0.00 C ATOM 440 NE ARG X 137 -6.822 -1.266 2.745 1.00 0.00 N ATOM 441 CZ ARG X 137 -7.027 -0.718 1.562 1.00 0.00 C ATOM 442 NH1 ARG X 137 -8.233 -0.378 1.197 1.00 0.00 N ATOM 443 NH2 ARG X 137 -6.028 -0.512 0.753 1.00 0.00 N ATOM 0 H ARG X 137 -4.494 -3.127 5.373 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.857 -4.082 6.879 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -6.199 -3.601 3.921 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.744 -4.197 4.496 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -8.144 -2.129 5.743 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.535 -1.543 5.369 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.625 -2.183 3.283 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.382 -0.588 3.965 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.867 -1.526 2.992 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -9.020 -0.536 1.827 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -8.389 0.045 0.282 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -5.083 -0.774 1.033 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -6.191 -0.088 -0.160 1.00 0.00 H new ATOM 457 N GLU X 138 -6.932 -6.430 5.751 1.00 0.00 N ATOM 458 CA GLU X 138 -6.796 -7.873 5.595 1.00 0.00 C ATOM 459 C GLU X 138 -6.419 -8.339 4.191 1.00 0.00 C ATOM 460 O GLU X 138 -7.001 -7.905 3.193 1.00 0.00 O ATOM 461 CB GLU X 138 -8.142 -8.550 5.888 1.00 0.00 C ATOM 462 CG GLU X 138 -8.661 -8.411 7.312 1.00 0.00 C ATOM 463 CD GLU X 138 -9.488 -7.129 7.541 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.483 -6.240 6.649 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.232 -7.124 8.542 1.00 0.00 O ATOM 0 H GLU X 138 -7.899 -6.112 5.817 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.995 -8.143 6.283 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.889 -8.139 5.208 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.050 -9.611 5.657 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.275 -9.279 7.553 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -7.816 -8.417 8.001 1.00 0.00 H new ATOM 472 N VAL X 139 -5.474 -9.262 4.109 1.00 0.00 N ATOM 473 CA VAL X 139 -5.079 -9.826 2.826 1.00 0.00 C ATOM 474 C VAL X 139 -5.807 -11.147 2.582 1.00 0.00 C ATOM 475 O VAL X 139 -5.399 -12.215 3.027 1.00 0.00 O ATOM 476 CB VAL X 139 -3.536 -10.038 2.714 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.863 -8.751 2.464 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.954 -10.552 3.972 1.00 0.00 C ATOM 0 H VAL X 139 -4.967 -9.636 4.911 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.362 -9.104 2.060 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.388 -10.751 1.903 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.788 -8.912 2.388 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.233 -8.322 1.533 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.070 -8.066 3.286 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.879 -10.684 3.848 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.142 -9.841 4.777 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.411 -11.510 4.220 1.00 0.00 H new ATOM 488 N LEU X 140 -6.901 -11.066 1.839 1.00 0.00 N ATOM 489 CA LEU X 140 -7.673 -12.259 1.492 1.00 0.00 C ATOM 490 C LEU X 140 -6.835 -12.958 0.434 1.00 0.00 C ATOM 491 O LEU X 140 -6.609 -14.167 0.458 1.00 0.00 O ATOM 492 CB LEU X 140 -9.076 -11.912 0.958 1.00 0.00 C ATOM 493 CG LEU X 140 -10.140 -11.353 1.926 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.474 -12.400 2.968 1.00 0.00 C ATOM 495 CD2 LEU X 140 -9.747 -10.063 2.616 1.00 0.00 C ATOM 0 H LEU X 140 -7.276 -10.194 1.465 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.855 -12.888 2.364 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -8.950 -11.185 0.156 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.487 -12.815 0.507 1.00 0.00 H new ATOM 0 HG LEU X 140 -11.007 -11.112 1.311 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.225 -12.006 3.652 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.863 -13.292 2.476 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -9.574 -12.657 3.527 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -10.553 -9.743 3.277 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.841 -10.224 3.201 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -9.564 -9.292 1.868 1.00 0.00 H new ATOM 507 N ARG X 141 -6.394 -12.142 -0.511 1.00 0.00 N ATOM 508 CA ARG X 141 -5.532 -12.564 -1.609 1.00 0.00 C ATOM 509 C ARG X 141 -4.190 -12.966 -1.000 1.00 0.00 C ATOM 510 O ARG X 141 -3.827 -12.465 0.050 1.00 0.00 O ATOM 511 CB ARG X 141 -5.385 -11.412 -2.606 1.00 0.00 C ATOM 512 CG ARG X 141 -6.723 -11.041 -3.274 1.00 0.00 C ATOM 513 CD ARG X 141 -6.599 -9.810 -4.158 1.00 0.00 C ATOM 514 NE ARG X 141 -5.708 -10.035 -5.293 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.054 -10.593 -6.437 1.00 0.00 C ATOM 516 NH1 ARG X 141 -7.276 -11.007 -6.641 1.00 0.00 N ATOM 517 NH2 ARG X 141 -5.161 -10.732 -7.375 1.00 0.00 N ATOM 0 H ARG X 141 -6.628 -11.150 -0.539 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.949 -13.411 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.984 -10.539 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -4.663 -11.689 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -7.075 -11.882 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -7.474 -10.860 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -7.586 -9.526 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.226 -8.975 -3.565 1.00 0.00 H new ATOM 0 HE ARG X 141 -4.738 -9.736 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -7.979 -10.901 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -7.527 -11.436 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -4.205 -10.411 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -5.417 -11.162 -8.264 1.00 0.00 H new ATOM 531 N GLN X 142 -3.453 -13.846 -1.657 1.00 0.00 N ATOM 532 CA GLN X 142 -2.155 -14.283 -1.154 1.00 0.00 C ATOM 533 C GLN X 142 -1.188 -13.112 -1.101 1.00 0.00 C ATOM 534 O GLN X 142 -1.011 -12.370 -2.065 1.00 0.00 O ATOM 535 CB GLN X 142 -1.607 -15.424 -2.011 1.00 0.00 C ATOM 536 CG GLN X 142 -2.437 -16.697 -1.853 1.00 0.00 C ATOM 537 CD GLN X 142 -1.935 -17.876 -2.670 1.00 0.00 C ATOM 538 OE1 GLN X 142 -2.454 -18.972 -2.536 1.00 0.00 O ATOM 539 NE2 GLN X 142 -0.972 -17.660 -3.523 1.00 0.00 N ATOM 0 H GLN X 142 -3.729 -14.274 -2.541 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.278 -14.660 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.600 -15.122 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.573 -15.626 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -2.451 -16.979 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -3.467 -16.483 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -0.563 -16.729 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -0.628 -18.422 -4.107 1.00 0.00 H new ATOM 548 N ALA X 143 -0.607 -12.937 0.071 1.00 0.00 N ATOM 549 CA ALA X 143 0.319 -11.858 0.329 1.00 0.00 C ATOM 550 C ALA X 143 1.746 -12.153 -0.100 1.00 0.00 C ATOM 551 O ALA X 143 2.239 -13.271 0.030 1.00 0.00 O ATOM 552 CB ALA X 143 0.271 -11.518 1.763 1.00 0.00 C ATOM 0 H ALA X 143 -0.767 -13.545 0.874 1.00 0.00 H new ATOM 0 HA ALA X 143 0.002 -11.012 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.967 -10.704 1.967 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.739 -11.207 2.030 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.550 -12.391 2.353 1.00 0.00 H new ATOM 558 N LEU X 144 2.401 -11.128 -0.611 1.00 0.00 N ATOM 559 CA LEU X 144 3.777 -11.231 -1.059 1.00 0.00 C ATOM 560 C LEU X 144 4.700 -10.548 -0.074 1.00 0.00 C ATOM 561 O LEU X 144 4.496 -9.401 0.299 1.00 0.00 O ATOM 562 CB LEU X 144 3.915 -10.645 -2.439 1.00 0.00 C ATOM 563 CG LEU X 144 3.221 -11.565 -3.447 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.909 -11.060 -3.888 1.00 0.00 C ATOM 565 CD2 LEU X 144 4.076 -11.766 -4.645 1.00 0.00 C ATOM 0 H LEU X 144 1.994 -10.200 -0.727 1.00 0.00 H new ATOM 0 HA LEU X 144 4.061 -12.282 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.471 -9.650 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.968 -10.533 -2.696 1.00 0.00 H new ATOM 0 HG LEU X 144 3.060 -12.508 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.471 -11.759 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.249 -10.960 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.035 -10.087 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.566 -12.423 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.269 -10.804 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU X 144 5.021 -12.219 -4.346 1.00 0.00 H new ATOM 577 N ARG X 145 5.695 -11.291 0.372 1.00 0.00 N ATOM 578 CA ARG X 145 6.635 -10.814 1.384 1.00 0.00 C ATOM 579 C ARG X 145 8.042 -10.604 0.930 1.00 0.00 C ATOM 580 O ARG X 145 8.781 -11.579 0.847 1.00 0.00 O ATOM 581 CB ARG X 145 6.704 -11.865 2.496 1.00 0.00 C ATOM 582 CG ARG X 145 5.410 -12.012 3.203 1.00 0.00 C ATOM 583 CD ARG X 145 5.484 -12.949 4.376 1.00 0.00 C ATOM 584 NE ARG X 145 4.201 -12.949 5.076 1.00 0.00 N ATOM 585 CZ ARG X 145 3.963 -13.608 6.191 1.00 0.00 C ATOM 586 NH1 ARG X 145 4.900 -14.333 6.739 1.00 0.00 N ATOM 587 NH2 ARG X 145 2.787 -13.537 6.753 1.00 0.00 N ATOM 0 H ARG X 145 5.879 -12.240 0.048 1.00 0.00 H new ATOM 0 HA ARG X 145 6.251 -9.840 1.686 1.00 0.00 H new ATOM 0 HB2 ARG X 145 6.995 -12.825 2.070 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.478 -11.586 3.211 1.00 0.00 H new ATOM 0 HG2 ARG X 145 5.078 -11.033 3.548 1.00 0.00 H new ATOM 0 HG3 ARG X 145 4.659 -12.375 2.502 1.00 0.00 H new ATOM 0 HD2 ARG X 145 5.726 -13.956 4.037 1.00 0.00 H new ATOM 0 HD3 ARG X 145 6.281 -12.640 5.053 1.00 0.00 H new ATOM 0 HE ARG X 145 3.439 -12.402 4.674 1.00 0.00 H new ATOM 0 HH11 ARG X 145 5.821 -14.391 6.304 1.00 0.00 H new ATOM 0 HH12 ARG X 145 4.712 -14.842 7.603 1.00 0.00 H new ATOM 0 HH21 ARG X 145 2.052 -12.971 6.329 1.00 0.00 H new ATOM 0 HH22 ARG X 145 2.603 -14.048 7.617 1.00 0.00 H new ATOM 601 N CYS X 146 8.470 -9.388 0.642 1.00 0.00 N ATOM 602 CA CYS X 146 9.864 -9.254 0.249 1.00 0.00 C ATOM 603 C CYS X 146 10.673 -9.258 1.555 1.00 0.00 C ATOM 604 O CYS X 146 10.997 -8.220 2.126 1.00 0.00 O ATOM 605 CB CYS X 146 10.132 -8.032 -0.593 1.00 0.00 C ATOM 606 SG CYS X 146 11.889 -7.955 -1.050 1.00 0.00 S ATOM 0 H CYS X 146 7.918 -8.531 0.668 1.00 0.00 H new ATOM 0 HA CYS X 146 10.157 -10.080 -0.399 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.516 -8.059 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.853 -7.134 -0.042 1.00 0.00 H new ATOM 0 HG CYS X 146 12.126 -6.841 -1.677 1.00 0.00 H new ATOM 611 N ALA X 147 10.949 -10.462 2.024 1.00 0.00 N ATOM 612 CA ALA X 147 11.682 -10.694 3.265 1.00 0.00 C ATOM 613 C ALA X 147 13.054 -10.037 3.234 1.00 0.00 C ATOM 614 O ALA X 147 13.660 -9.804 4.271 1.00 0.00 O ATOM 615 CB ALA X 147 11.823 -12.189 3.497 1.00 0.00 C ATOM 0 H ALA X 147 10.668 -11.321 1.550 1.00 0.00 H new ATOM 0 HA ALA X 147 11.120 -10.245 4.084 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.370 -12.363 4.423 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.834 -12.641 3.569 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.366 -12.637 2.665 1.00 0.00 H new ATOM 621 N ASN X 148 13.539 -9.755 2.035 1.00 0.00 N ATOM 622 CA ASN X 148 14.831 -9.117 1.875 1.00 0.00 C ATOM 623 C ASN X 148 14.963 -7.699 2.331 1.00 0.00 C ATOM 624 O ASN X 148 16.078 -7.191 2.411 1.00 0.00 O ATOM 625 CB ASN X 148 15.313 -9.223 0.434 1.00 0.00 C ATOM 626 CG ASN X 148 15.951 -10.537 0.125 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.835 -11.506 0.869 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.610 -10.595 -0.998 1.00 0.00 N ATOM 0 H ASN X 148 13.056 -9.959 1.160 1.00 0.00 H new ATOM 0 HA ASN X 148 15.460 -9.684 2.561 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.468 -9.069 -0.238 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.027 -8.424 0.236 1.00 0.00 H new ATOM 0 HD21 ASN X 148 17.052 -11.468 -1.286 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.684 -9.767 -1.589 1.00 0.00 H new ATOM 635 N CYS X 149 13.862 -7.052 2.632 1.00 0.00 N ATOM 636 CA CYS X 149 13.950 -5.688 3.059 1.00 0.00 C ATOM 637 C CYS X 149 12.748 -5.223 3.862 1.00 0.00 C ATOM 638 O CYS X 149 12.836 -4.727 4.985 1.00 0.00 O ATOM 639 CB CYS X 149 14.102 -4.849 1.783 1.00 0.00 C ATOM 640 SG CYS X 149 12.850 -5.098 0.511 1.00 0.00 S ATOM 0 H CYS X 149 12.920 -7.441 2.589 1.00 0.00 H new ATOM 0 HA CYS X 149 14.798 -5.576 3.735 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.100 -3.796 2.064 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.079 -5.061 1.348 1.00 0.00 H new ATOM 0 HG CYS X 149 12.803 -6.356 0.188 1.00 0.00 H new ATOM 645 N LYS X 150 11.639 -5.296 3.167 1.00 0.00 N ATOM 646 CA LYS X 150 10.398 -4.695 3.640 1.00 0.00 C ATOM 647 C LYS X 150 9.162 -5.435 4.179 1.00 0.00 C ATOM 648 O LYS X 150 9.173 -6.012 5.255 1.00 0.00 O ATOM 649 CB LYS X 150 10.003 -3.720 2.528 1.00 0.00 C ATOM 650 CG LYS X 150 11.083 -2.672 2.347 1.00 0.00 C ATOM 651 CD LYS X 150 10.770 -1.711 1.285 1.00 0.00 C ATOM 652 CE LYS X 150 11.980 -0.795 1.080 1.00 0.00 C ATOM 653 NZ LYS X 150 12.374 -0.044 2.317 1.00 0.00 N ATOM 0 H LYS X 150 11.562 -5.767 2.265 1.00 0.00 H new ATOM 0 HA LYS X 150 10.694 -4.334 4.625 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.852 -4.262 1.595 1.00 0.00 H new ATOM 0 HB3 LYS X 150 9.056 -3.239 2.774 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.224 -2.136 3.286 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.027 -3.166 2.117 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.532 -2.235 0.359 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.892 -1.123 1.554 1.00 0.00 H new ATOM 0 HE2 LYS X 150 12.826 -1.393 0.742 1.00 0.00 H new ATOM 0 HE3 LYS X 150 11.756 -0.082 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 13.176 0.582 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 11.569 0.526 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.650 -0.718 3.059 1.00 0.00 H new ATOM 667 N PHE X 151 8.072 -5.299 3.436 1.00 0.00 N ATOM 668 CA PHE X 151 6.744 -5.789 3.808 1.00 0.00 C ATOM 669 C PHE X 151 6.036 -7.006 3.228 1.00 0.00 C ATOM 670 O PHE X 151 6.393 -7.545 2.169 1.00 0.00 O ATOM 671 CB PHE X 151 5.810 -4.612 3.503 1.00 0.00 C ATOM 672 CG PHE X 151 5.996 -4.003 2.134 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.525 -4.630 0.995 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.616 -2.770 2.000 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.680 -4.041 -0.248 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.776 -2.190 0.757 1.00 0.00 C ATOM 677 CZ PHE X 151 6.309 -2.828 -0.362 1.00 0.00 C ATOM 0 H PHE X 151 8.084 -4.831 2.530 1.00 0.00 H new ATOM 0 HA PHE X 151 6.945 -6.155 4.815 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.778 -4.949 3.599 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.964 -3.838 4.255 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.032 -5.587 1.076 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.978 -2.257 2.879 1.00 0.00 H new ATOM 0 HE1 PHE X 151 5.305 -4.538 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE X 151 7.269 -1.233 0.667 1.00 0.00 H new ATOM 0 HZ PHE X 151 6.436 -2.375 -1.334 1.00 0.00 H new ATOM 687 N THR X 152 4.957 -7.370 3.928 1.00 0.00 N ATOM 688 CA THR X 152 4.063 -8.433 3.548 1.00 0.00 C ATOM 689 C THR X 152 2.767 -7.756 3.075 1.00 0.00 C ATOM 690 O THR X 152 1.887 -7.410 3.840 1.00 0.00 O ATOM 691 CB THR X 152 3.822 -9.301 4.796 1.00 0.00 C ATOM 692 OG1 THR X 152 2.755 -10.234 4.557 1.00 0.00 O ATOM 693 CG2 THR X 152 3.537 -8.511 6.047 1.00 0.00 C ATOM 0 H THR X 152 4.686 -6.911 4.798 1.00 0.00 H new ATOM 0 HA THR X 152 4.455 -9.069 2.754 1.00 0.00 H new ATOM 0 HB THR X 152 4.758 -9.831 4.973 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.505 -10.668 5.399 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.379 -9.195 6.881 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.383 -7.860 6.267 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.643 -7.906 5.899 1.00 0.00 H new ATOM 701 N CYS X 153 2.642 -7.604 1.779 1.00 0.00 N ATOM 702 CA CYS X 153 1.490 -6.907 1.201 1.00 0.00 C ATOM 703 C CYS X 153 0.525 -7.677 0.297 1.00 0.00 C ATOM 704 O CYS X 153 0.829 -8.777 -0.145 1.00 0.00 O ATOM 705 CB CYS X 153 2.089 -5.810 0.318 1.00 0.00 C ATOM 706 SG CYS X 153 3.074 -6.492 -1.011 1.00 0.00 S ATOM 0 H CYS X 153 3.316 -7.948 1.095 1.00 0.00 H new ATOM 0 HA CYS X 153 0.883 -6.616 2.059 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.287 -5.201 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.707 -5.150 0.927 1.00 0.00 H new ATOM 0 HG CYS X 153 4.310 -6.111 -0.875 1.00 0.00 H new ATOM 712 N HIS X 154 -0.616 -7.066 -0.028 1.00 0.00 N ATOM 713 CA HIS X 154 -1.571 -7.701 -0.982 1.00 0.00 C ATOM 714 C HIS X 154 -0.851 -7.877 -2.327 1.00 0.00 C ATOM 715 O HIS X 154 0.124 -7.185 -2.608 1.00 0.00 O ATOM 716 CB HIS X 154 -2.823 -6.861 -1.349 1.00 0.00 C ATOM 717 CG HIS X 154 -3.735 -6.520 -0.213 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.539 -5.431 0.635 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.894 -7.142 0.189 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.579 -5.460 1.522 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.390 -6.472 1.266 1.00 0.00 N ATOM 0 H HIS X 154 -0.910 -6.159 0.335 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.894 -8.611 -0.477 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.491 -5.933 -1.814 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.396 -7.406 -2.099 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.778 -4.753 0.601 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.336 -8.014 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.719 -4.751 2.324 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.237 -6.709 1.783 1.00 0.00 H new ATOM 729 N SER X 155 -1.337 -8.770 -3.177 1.00 0.00 N ATOM 730 CA SER X 155 -0.717 -8.957 -4.490 1.00 0.00 C ATOM 731 C SER X 155 -0.682 -7.651 -5.292 1.00 0.00 C ATOM 732 O SER X 155 0.346 -7.241 -5.809 1.00 0.00 O ATOM 733 CB SER X 155 -1.410 -10.081 -5.269 1.00 0.00 C ATOM 734 OG SER X 155 -2.797 -9.830 -5.480 1.00 0.00 O ATOM 0 H SER X 155 -2.142 -9.368 -2.991 1.00 0.00 H new ATOM 0 HA SER X 155 0.318 -9.256 -4.327 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.917 -10.207 -6.233 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.293 -11.019 -4.726 1.00 0.00 H new ATOM 0 HG SER X 155 -3.066 -9.035 -4.974 1.00 0.00 H new ATOM 740 N GLU X 156 -1.814 -6.985 -5.366 1.00 0.00 N ATOM 741 CA GLU X 156 -1.936 -5.727 -6.074 1.00 0.00 C ATOM 742 C GLU X 156 -1.044 -4.644 -5.468 1.00 0.00 C ATOM 743 O GLU X 156 -0.588 -3.742 -6.170 1.00 0.00 O ATOM 744 CB GLU X 156 -3.423 -5.327 -6.152 1.00 0.00 C ATOM 745 CG GLU X 156 -4.175 -5.166 -4.801 1.00 0.00 C ATOM 746 CD GLU X 156 -4.737 -6.501 -4.242 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.293 -7.586 -4.706 1.00 0.00 O ATOM 748 OE2 GLU X 156 -5.495 -6.439 -3.258 1.00 0.00 O ATOM 0 H GLU X 156 -2.682 -7.302 -4.934 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.573 -5.849 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.494 -4.385 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.946 -6.077 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.497 -4.731 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.997 -4.462 -4.933 1.00 0.00 H new ATOM 755 N CYS X 157 -0.750 -4.771 -4.182 1.00 0.00 N ATOM 756 CA CYS X 157 0.107 -3.828 -3.506 1.00 0.00 C ATOM 757 C CYS X 157 1.588 -4.011 -3.881 1.00 0.00 C ATOM 758 O CYS X 157 2.337 -3.037 -3.907 1.00 0.00 O ATOM 759 CB CYS X 157 -0.076 -3.969 -1.994 1.00 0.00 C ATOM 760 SG CYS X 157 -1.693 -3.486 -1.412 1.00 0.00 S ATOM 0 H CYS X 157 -1.098 -5.525 -3.589 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.181 -2.827 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS X 157 0.106 -5.006 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.677 -3.364 -1.489 1.00 0.00 H new ATOM 0 HG CYS X 157 -1.576 -2.852 -0.283 1.00 0.00 H new ATOM 765 N ARG X 158 2.043 -5.235 -4.153 1.00 0.00 N ATOM 766 CA ARG X 158 3.472 -5.390 -4.499 1.00 0.00 C ATOM 767 C ARG X 158 3.812 -4.674 -5.789 1.00 0.00 C ATOM 768 O ARG X 158 4.946 -4.288 -6.014 1.00 0.00 O ATOM 769 CB ARG X 158 4.012 -6.839 -4.475 1.00 0.00 C ATOM 770 CG ARG X 158 3.466 -7.894 -5.422 1.00 0.00 C ATOM 771 CD ARG X 158 3.755 -7.635 -6.898 1.00 0.00 C ATOM 772 NE ARG X 158 5.193 -7.602 -7.172 1.00 0.00 N ATOM 773 CZ ARG X 158 5.714 -7.217 -8.324 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.933 -6.846 -9.302 1.00 0.00 N ATOM 775 NH2 ARG X 158 7.009 -7.203 -8.495 1.00 0.00 N ATOM 0 H ARG X 158 1.489 -6.091 -4.145 1.00 0.00 H new ATOM 0 HA ARG X 158 4.005 -4.903 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG X 158 5.087 -6.782 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.870 -7.216 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG X 158 3.886 -8.862 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.387 -7.964 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.287 -8.413 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG X 158 3.306 -6.687 -7.196 1.00 0.00 H new ATOM 0 HE ARG X 158 5.830 -7.893 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG X 158 3.921 -6.853 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG X 158 5.335 -6.549 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.627 -7.491 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG X 158 7.402 -6.904 -9.387 1.00 0.00 H new ATOM 789 N SER X 159 2.826 -4.496 -6.651 1.00 0.00 N ATOM 790 CA SER X 159 3.070 -3.837 -7.926 1.00 0.00 C ATOM 791 C SER X 159 3.296 -2.342 -7.767 1.00 0.00 C ATOM 792 O SER X 159 3.687 -1.670 -8.716 1.00 0.00 O ATOM 793 CB SER X 159 1.892 -4.082 -8.858 1.00 0.00 C ATOM 794 OG SER X 159 1.865 -5.448 -9.256 1.00 0.00 O ATOM 0 H SER X 159 1.862 -4.793 -6.497 1.00 0.00 H new ATOM 0 HA SER X 159 3.981 -4.262 -8.349 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.960 -3.822 -8.356 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.972 -3.440 -9.735 1.00 0.00 H new ATOM 0 HG SER X 159 1.104 -5.599 -9.854 1.00 0.00 H new ATOM 800 N LEU X 160 3.079 -1.823 -6.567 1.00 0.00 N ATOM 801 CA LEU X 160 3.284 -0.409 -6.306 1.00 0.00 C ATOM 802 C LEU X 160 4.779 -0.119 -6.090 1.00 0.00 C ATOM 803 O LEU X 160 5.233 0.995 -6.319 1.00 0.00 O ATOM 804 CB LEU X 160 2.463 0.009 -5.085 1.00 0.00 C ATOM 805 CG LEU X 160 0.959 -0.266 -5.198 1.00 0.00 C ATOM 806 CD1 LEU X 160 0.268 0.289 -3.987 1.00 0.00 C ATOM 807 CD2 LEU X 160 0.377 0.331 -6.448 1.00 0.00 C ATOM 0 H LEU X 160 2.761 -2.361 -5.761 1.00 0.00 H new ATOM 0 HA LEU X 160 2.951 0.171 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.849 -0.513 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.611 1.075 -4.912 1.00 0.00 H new ATOM 0 HG LEU X 160 0.807 -1.344 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -0.803 0.098 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU X 160 0.663 -0.190 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.441 1.364 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.690 0.115 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.528 1.410 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.870 -0.098 -7.320 1.00 0.00 H new ATOM 819 N ILE X 161 5.544 -1.120 -5.682 1.00 0.00 N ATOM 820 CA ILE X 161 6.991 -0.953 -5.473 1.00 0.00 C ATOM 821 C ILE X 161 7.638 -2.191 -6.090 1.00 0.00 C ATOM 822 O ILE X 161 7.633 -3.253 -5.477 1.00 0.00 O ATOM 823 CB ILE X 161 7.454 -0.899 -3.954 1.00 0.00 C ATOM 824 CG1 ILE X 161 6.790 0.207 -3.111 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.945 -0.625 -3.860 1.00 0.00 C ATOM 826 CD1 ILE X 161 5.322 0.020 -2.823 1.00 0.00 C ATOM 0 H ILE X 161 5.196 -2.059 -5.487 1.00 0.00 H new ATOM 0 HA ILE X 161 7.279 0.002 -5.913 1.00 0.00 H new ATOM 0 HB ILE X 161 7.162 -1.873 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE X 161 7.321 0.282 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE X 161 6.922 1.159 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE X 161 9.243 -0.592 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE X 161 9.493 -1.418 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE X 161 9.170 0.332 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE X 161 4.959 0.855 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE X 161 4.769 -0.020 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE X 161 5.174 -0.910 -2.275 1.00 0.00 H new ATOM 838 N GLN X 162 8.169 -2.089 -7.299 1.00 0.00 N ATOM 839 CA GLN X 162 8.754 -3.268 -7.945 1.00 0.00 C ATOM 840 C GLN X 162 10.277 -3.281 -8.097 1.00 0.00 C ATOM 841 O GLN X 162 10.827 -4.218 -8.660 1.00 0.00 O ATOM 842 CB GLN X 162 8.101 -3.446 -9.316 1.00 0.00 C ATOM 843 CG GLN X 162 6.595 -3.659 -9.202 1.00 0.00 C ATOM 844 CD GLN X 162 5.943 -3.962 -10.526 1.00 0.00 C ATOM 845 OE1 GLN X 162 6.260 -4.955 -11.168 1.00 0.00 O ATOM 846 NE2 GLN X 162 5.021 -3.131 -10.933 1.00 0.00 N ATOM 0 H GLN X 162 8.210 -1.229 -7.846 1.00 0.00 H new ATOM 0 HA GLN X 162 8.548 -4.097 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.298 -2.567 -9.930 1.00 0.00 H new ATOM 0 HB3 GLN X 162 8.551 -4.298 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.401 -4.479 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.138 -2.767 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN X 162 4.785 -2.314 -10.369 1.00 0.00 H new ATOM 0 HE22 GLN X 162 4.537 -3.299 -11.815 1.00 0.00 H new ATOM 855 N LEU X 163 10.954 -2.251 -7.607 1.00 0.00 N ATOM 856 CA LEU X 163 12.420 -2.201 -7.698 1.00 0.00 C ATOM 857 C LEU X 163 13.085 -3.155 -6.681 1.00 0.00 C ATOM 858 O LEU X 163 12.426 -4.028 -6.136 1.00 0.00 O ATOM 859 CB LEU X 163 12.960 -0.741 -7.656 1.00 0.00 C ATOM 860 CG LEU X 163 12.728 0.292 -6.527 1.00 0.00 C ATOM 861 CD1 LEU X 163 11.285 0.736 -6.432 1.00 0.00 C ATOM 862 CD2 LEU X 163 13.156 -0.187 -5.181 1.00 0.00 C ATOM 0 H LEU X 163 10.526 -1.447 -7.148 1.00 0.00 H new ATOM 0 HA LEU X 163 12.709 -2.577 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU X 163 14.042 -0.827 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU X 163 12.592 -0.267 -8.566 1.00 0.00 H new ATOM 0 HG LEU X 163 13.356 1.136 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU X 163 11.180 1.460 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU X 163 10.983 1.196 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU X 163 10.651 -0.128 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU X 163 12.963 0.589 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU X 163 12.596 -1.085 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU X 163 14.222 -0.416 -5.198 1.00 0.00 H new ATOM 874 N ASP X 164 14.380 -3.013 -6.444 1.00 0.00 N ATOM 875 CA ASP X 164 15.094 -3.884 -5.503 1.00 0.00 C ATOM 876 C ASP X 164 14.934 -3.568 -4.001 1.00 0.00 C ATOM 877 O ASP X 164 14.391 -2.543 -3.600 1.00 0.00 O ATOM 878 CB ASP X 164 16.574 -4.016 -5.905 1.00 0.00 C ATOM 879 CG ASP X 164 17.348 -2.711 -5.801 1.00 0.00 C ATOM 880 OD1 ASP X 164 16.716 -1.631 -5.805 1.00 0.00 O ATOM 881 OD2 ASP X 164 18.590 -2.804 -5.947 1.00 0.00 O ATOM 0 H ASP X 164 14.965 -2.304 -6.887 1.00 0.00 H new ATOM 0 HA ASP X 164 14.592 -4.847 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP X 164 17.050 -4.763 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP X 164 16.633 -4.384 -6.929 1.00 0.00 H new ATOM 886 N CYS X 165 15.416 -4.486 -3.176 1.00 0.00 N ATOM 887 CA CYS X 165 15.347 -4.394 -1.730 1.00 0.00 C ATOM 888 C CYS X 165 16.106 -3.204 -1.056 1.00 0.00 C ATOM 889 O CYS X 165 17.336 -3.176 -0.975 1.00 0.00 O ATOM 890 CB CYS X 165 15.822 -5.756 -1.243 1.00 0.00 C ATOM 891 SG CYS X 165 15.030 -7.091 -2.150 1.00 0.00 S ATOM 0 H CYS X 165 15.876 -5.335 -3.504 1.00 0.00 H new ATOM 0 HA CYS X 165 14.326 -4.156 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.904 -5.828 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.607 -5.859 -0.179 1.00 0.00 H new ATOM 0 HG CYS X 165 13.884 -7.367 -1.603 1.00 0.00 H new ATOM 896 N ARG X 166 15.321 -2.220 -0.622 1.00 0.00 N ATOM 897 CA ARG X 166 15.816 -0.967 -0.004 1.00 0.00 C ATOM 898 C ARG X 166 15.391 -0.755 1.456 1.00 0.00 C ATOM 899 O ARG X 166 15.081 0.411 1.779 1.00 0.00 O ATOM 900 CB ARG X 166 15.318 0.215 -0.862 1.00 0.00 C ATOM 901 CG ARG X 166 15.998 0.281 -2.217 1.00 0.00 C ATOM 902 CD ARG X 166 17.469 0.678 -2.032 1.00 0.00 C ATOM 903 NE ARG X 166 18.181 0.734 -3.302 1.00 0.00 N ATOM 904 CZ ARG X 166 18.722 -0.320 -3.883 1.00 0.00 C ATOM 905 NH1 ARG X 166 18.654 -1.497 -3.324 1.00 0.00 N ATOM 906 NH2 ARG X 166 19.331 -0.191 -5.026 1.00 0.00 N ATOM 907 OXT ARG X 166 14.999 -1.763 2.041 1.00 0.00 O ATOM 0 H ARG X 166 14.304 -2.261 -0.686 1.00 0.00 H new ATOM 0 HA ARG X 166 16.904 -1.035 0.022 1.00 0.00 H new ATOM 0 HB2 ARG X 166 14.241 0.127 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.494 1.148 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.931 -0.685 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG X 166 15.492 1.006 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG X 166 17.524 1.650 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG X 166 17.958 -0.039 -1.373 1.00 0.00 H new ATOM 0 HE ARG X 166 18.266 1.638 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG X 166 18.179 -1.610 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG X 166 19.076 -2.305 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG X 166 19.390 0.724 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG X 166 19.749 -1.005 -5.476 1.00 0.00 H new