USER MOD reduce.3.24.130724 H: found=0, std=0, add=352, rem=0, adj=13 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 -143:sc= 0.352 USER MOD Set 1.2: X 135 CYS SG : rot 180:sc= 1.95 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -3.49 K(o=-1.5,f=-13!) USER MOD Set 1.4: X 157 CYS SG : rot -150:sc= -0.353 USER MOD Set 2.1: X 118 HIS : no HE2:sc= -5.03 K(o=-3.9,f=-9.6!) USER MOD Set 2.2: X 146 CYS SG : rot -114:sc= -1.08! USER MOD Set 2.3: X 149 CYS SG : rot -119:sc= -0.226! USER MOD Set 2.4: X 165 CYS SG : rot 82:sc= 2.44 USER MOD Single : X 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 148 ASN : amide:sc= -0.294 K(o=-0.29,f=-5.1!) USER MOD Single : X 150 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.15) USER MOD Single : X 152 THR OG1 : rot -160:sc= -0.15 USER MOD Single : X 153 CYS SG : rot 77:sc= 0.228 USER MOD Single : X 155 SER OG : rot 180:sc= -0.0273 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc=-0.00819 X(o=-0.0082,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 13.788 -7.510 -5.088 1.00 0.00 N ATOM 153 CA HIS X 118 12.498 -7.525 -4.407 1.00 0.00 C ATOM 154 C HIS X 118 11.930 -8.897 -4.811 1.00 0.00 C ATOM 155 O HIS X 118 11.412 -9.073 -5.912 1.00 0.00 O ATOM 156 CB HIS X 118 11.650 -6.356 -4.917 1.00 0.00 C ATOM 157 CG HIS X 118 11.011 -5.546 -3.835 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.514 -5.469 -2.541 1.00 0.00 N ATOM 159 CD2 HIS X 118 9.898 -4.749 -3.881 1.00 0.00 C ATOM 160 CE1 HIS X 118 10.659 -4.658 -1.861 1.00 0.00 C ATOM 161 NE2 HIS X 118 9.696 -4.222 -2.649 1.00 0.00 N ATOM 0 HA HIS X 118 12.537 -7.405 -3.324 1.00 0.00 H new ATOM 0 HB2 HIS X 118 12.278 -5.702 -5.522 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.871 -6.745 -5.572 1.00 0.00 H new ATOM 0 HD1 HIS X 118 12.350 -5.926 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.285 -4.571 -4.752 1.00 0.00 H new ATOM 0 HE1 HIS X 118 10.756 -4.405 -0.816 1.00 0.00 H new ATOM 169 N ARG X 119 12.047 -9.870 -3.915 1.00 0.00 N ATOM 170 CA ARG X 119 11.612 -11.236 -4.209 1.00 0.00 C ATOM 171 C ARG X 119 10.151 -11.537 -4.013 1.00 0.00 C ATOM 172 O ARG X 119 9.590 -12.329 -4.764 1.00 0.00 O ATOM 173 CB ARG X 119 12.510 -12.242 -3.496 1.00 0.00 C ATOM 174 CG ARG X 119 12.457 -12.258 -1.985 1.00 0.00 C ATOM 175 CD ARG X 119 13.514 -13.263 -1.534 1.00 0.00 C ATOM 176 NE ARG X 119 13.599 -13.455 -0.091 1.00 0.00 N ATOM 177 CZ ARG X 119 14.567 -14.146 0.490 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.510 -14.685 -0.231 1.00 0.00 N ATOM 179 NH2 ARG X 119 14.591 -14.296 1.786 1.00 0.00 N ATOM 0 H ARG X 119 12.438 -9.742 -2.981 1.00 0.00 H new ATOM 0 HA ARG X 119 11.727 -11.336 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.254 -13.239 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.540 -12.050 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.662 -11.268 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.467 -12.549 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.304 -14.225 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG X 119 14.487 -12.935 -1.901 1.00 0.00 H new ATOM 0 HE ARG X 119 12.879 -13.037 0.498 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.503 -14.575 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG X 119 16.255 -15.217 0.219 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.859 -13.879 2.361 1.00 0.00 H new ATOM 0 HH22 ARG X 119 15.341 -14.830 2.224 1.00 0.00 H new ATOM 193 N PHE X 120 9.538 -10.929 -3.003 1.00 0.00 N ATOM 194 CA PHE X 120 8.124 -11.138 -2.734 1.00 0.00 C ATOM 195 C PHE X 120 7.760 -12.599 -2.502 1.00 0.00 C ATOM 196 O PHE X 120 6.955 -13.180 -3.227 1.00 0.00 O ATOM 197 CB PHE X 120 7.262 -10.568 -3.865 1.00 0.00 C ATOM 198 CG PHE X 120 7.275 -9.071 -3.963 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.512 -8.299 -3.100 1.00 0.00 C ATOM 200 CD2 PHE X 120 8.006 -8.437 -4.949 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.483 -6.933 -3.217 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.970 -7.064 -5.066 1.00 0.00 C ATOM 203 CZ PHE X 120 7.201 -6.316 -4.199 1.00 0.00 C ATOM 0 H PHE X 120 10.000 -10.288 -2.358 1.00 0.00 H new ATOM 0 HA PHE X 120 7.919 -10.604 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.606 -10.984 -4.812 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.234 -10.901 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE X 120 5.933 -8.780 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.608 -9.019 -5.631 1.00 0.00 H new ATOM 0 HE1 PHE X 120 5.891 -6.345 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.545 -6.573 -5.838 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.167 -5.241 -4.298 1.00 0.00 H new ATOM 213 N VAL X 121 8.371 -13.202 -1.502 1.00 0.00 N ATOM 214 CA VAL X 121 8.071 -14.610 -1.185 1.00 0.00 C ATOM 215 C VAL X 121 6.672 -14.738 -0.554 1.00 0.00 C ATOM 216 O VAL X 121 6.472 -14.508 0.630 1.00 0.00 O ATOM 217 CB VAL X 121 9.168 -15.329 -0.335 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.356 -15.658 -1.215 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.667 -14.475 0.821 1.00 0.00 C ATOM 0 H VAL X 121 9.066 -12.763 -0.898 1.00 0.00 H new ATOM 0 HA VAL X 121 8.075 -15.141 -2.137 1.00 0.00 H new ATOM 0 HB VAL X 121 8.709 -16.229 0.074 1.00 0.00 H new ATOM 0 HG11 VAL X 121 11.121 -16.159 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL X 121 10.038 -16.314 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.766 -14.738 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.427 -15.024 1.377 1.00 0.00 H new ATOM 0 HG22 VAL X 121 10.097 -13.552 0.432 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.835 -14.237 1.483 1.00 0.00 H new ATOM 229 N GLU X 122 5.701 -15.063 -1.393 1.00 0.00 N ATOM 230 CA GLU X 122 4.302 -15.220 -0.984 1.00 0.00 C ATOM 231 C GLU X 122 4.128 -16.291 0.096 1.00 0.00 C ATOM 232 O GLU X 122 4.657 -17.395 -0.045 1.00 0.00 O ATOM 233 CB GLU X 122 3.487 -15.613 -2.211 1.00 0.00 C ATOM 234 CG GLU X 122 2.005 -15.778 -1.973 1.00 0.00 C ATOM 235 CD GLU X 122 1.295 -16.207 -3.238 1.00 0.00 C ATOM 236 OE1 GLU X 122 1.708 -15.733 -4.316 1.00 0.00 O ATOM 237 OE2 GLU X 122 0.530 -17.184 -3.160 1.00 0.00 O ATOM 0 H GLU X 122 5.857 -15.228 -2.387 1.00 0.00 H new ATOM 0 HA GLU X 122 3.961 -14.274 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU X 122 3.633 -14.856 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.882 -16.549 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU X 122 1.839 -16.518 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU X 122 1.584 -14.838 -1.617 1.00 0.00 H new ATOM 244 N LEU X 123 3.390 -15.993 1.162 1.00 0.00 N ATOM 245 CA LEU X 123 3.192 -16.990 2.220 1.00 0.00 C ATOM 246 C LEU X 123 1.780 -17.571 2.226 1.00 0.00 C ATOM 247 O LEU X 123 0.820 -16.948 1.772 1.00 0.00 O ATOM 248 CB LEU X 123 3.487 -16.419 3.617 1.00 0.00 C ATOM 249 CG LEU X 123 2.496 -15.459 4.292 1.00 0.00 C ATOM 250 CD1 LEU X 123 3.109 -15.059 5.603 1.00 0.00 C ATOM 251 CD2 LEU X 123 2.198 -14.222 3.511 1.00 0.00 C ATOM 0 H LEU X 123 2.929 -15.097 1.319 1.00 0.00 H new ATOM 0 HA LEU X 123 3.902 -17.786 1.993 1.00 0.00 H new ATOM 0 HB2 LEU X 123 3.622 -17.267 4.289 1.00 0.00 H new ATOM 0 HB3 LEU X 123 4.445 -15.903 3.558 1.00 0.00 H new ATOM 0 HG LEU X 123 1.545 -15.982 4.392 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.440 -14.374 6.123 1.00 0.00 H new ATOM 0 HD12 LEU X 123 3.268 -15.946 6.216 1.00 0.00 H new ATOM 0 HD13 LEU X 123 4.064 -14.566 5.423 1.00 0.00 H new ATOM 0 HD21 LEU X 123 1.490 -13.604 4.064 1.00 0.00 H new ATOM 0 HD22 LEU X 123 3.119 -13.662 3.350 1.00 0.00 H new ATOM 0 HD23 LEU X 123 1.767 -14.495 2.548 1.00 0.00 H new ATOM 330 N PRO X 129 -7.531 -14.349 8.485 1.00 0.00 N ATOM 331 CA PRO X 129 -6.876 -13.343 7.647 1.00 0.00 C ATOM 332 C PRO X 129 -5.386 -13.176 7.943 1.00 0.00 C ATOM 333 O PRO X 129 -4.833 -13.794 8.848 1.00 0.00 O ATOM 334 CB PRO X 129 -7.574 -12.047 8.090 1.00 0.00 C ATOM 335 CG PRO X 129 -8.882 -12.491 8.612 1.00 0.00 C ATOM 336 CD PRO X 129 -8.481 -13.705 9.405 1.00 0.00 C ATOM 0 HA PRO X 129 -6.950 -13.608 6.592 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.997 -11.527 8.855 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.694 -11.356 7.256 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -9.357 -11.732 9.233 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -9.583 -12.734 7.814 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -8.018 -13.441 10.356 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -9.332 -14.347 9.633 1.00 0.00 H new ATOM 344 N GLY X 130 -4.755 -12.298 7.184 1.00 0.00 N ATOM 345 CA GLY X 130 -3.349 -11.979 7.363 1.00 0.00 C ATOM 346 C GLY X 130 -3.448 -10.576 6.855 1.00 0.00 C ATOM 347 O GLY X 130 -4.486 -10.319 6.290 1.00 0.00 O ATOM 0 H GLY X 130 -5.203 -11.785 6.425 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -3.017 -12.044 8.399 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.682 -12.609 6.774 1.00 0.00 H new ATOM 351 N TRP X 131 -2.501 -9.672 7.047 1.00 0.00 N ATOM 352 CA TRP X 131 -2.666 -8.299 6.548 1.00 0.00 C ATOM 353 C TRP X 131 -1.522 -7.825 5.665 1.00 0.00 C ATOM 354 O TRP X 131 -0.439 -8.395 5.659 1.00 0.00 O ATOM 355 CB TRP X 131 -2.790 -7.352 7.738 1.00 0.00 C ATOM 356 CG TRP X 131 -3.693 -7.941 8.741 1.00 0.00 C ATOM 357 CD1 TRP X 131 -5.027 -7.788 8.869 1.00 0.00 C ATOM 358 CD2 TRP X 131 -3.299 -8.838 9.770 1.00 0.00 C ATOM 359 NE1 TRP X 131 -5.495 -8.546 9.903 1.00 0.00 N ATOM 360 CE2 TRP X 131 -4.451 -9.204 10.484 1.00 0.00 C ATOM 361 CE3 TRP X 131 -2.085 -9.382 10.137 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -4.411 -10.093 11.554 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -2.021 -10.259 11.199 1.00 0.00 C ATOM 364 CH2 TRP X 131 -3.187 -10.610 11.906 1.00 0.00 C ATOM 0 H TRP X 131 -1.623 -9.850 7.534 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.564 -8.297 5.930 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.809 -7.172 8.177 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -3.174 -6.386 7.410 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -5.638 -7.155 8.242 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -6.470 -8.610 10.195 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -1.188 -9.122 9.594 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -5.309 -10.367 12.088 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -1.070 -10.680 11.491 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -3.119 -11.296 12.737 1.00 0.00 H new ATOM 375 N CYS X 132 -1.802 -6.763 4.934 1.00 0.00 N ATOM 376 CA CYS X 132 -0.844 -6.117 4.045 1.00 0.00 C ATOM 377 C CYS X 132 -0.163 -5.151 4.997 1.00 0.00 C ATOM 378 O CYS X 132 -0.791 -4.164 5.350 1.00 0.00 O ATOM 379 CB CYS X 132 -1.618 -5.382 2.943 1.00 0.00 C ATOM 380 SG CYS X 132 -0.648 -4.509 1.698 1.00 0.00 S ATOM 0 H CYS X 132 -2.718 -6.314 4.939 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.143 -6.778 3.535 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.249 -6.108 2.431 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.283 -4.662 3.420 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.256 -3.409 1.367 1.00 0.00 H new ATOM 385 N ASP X 133 1.084 -5.400 5.399 1.00 0.00 N ATOM 386 CA ASP X 133 1.768 -4.516 6.374 1.00 0.00 C ATOM 387 C ASP X 133 1.651 -3.079 5.889 1.00 0.00 C ATOM 388 O ASP X 133 1.429 -2.146 6.653 1.00 0.00 O ATOM 389 CB ASP X 133 3.254 -4.857 6.476 1.00 0.00 C ATOM 390 CG ASP X 133 3.518 -6.306 6.895 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.631 -6.912 7.518 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.663 -6.781 6.644 1.00 0.00 O ATOM 0 H ASP X 133 1.643 -6.190 5.077 1.00 0.00 H new ATOM 0 HA ASP X 133 1.302 -4.651 7.350 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.728 -4.673 5.512 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.724 -4.187 7.196 1.00 0.00 H new ATOM 397 N LEU X 134 1.790 -2.945 4.584 1.00 0.00 N ATOM 398 CA LEU X 134 1.673 -1.682 3.883 1.00 0.00 C ATOM 399 C LEU X 134 0.308 -0.989 4.075 1.00 0.00 C ATOM 400 O LEU X 134 0.246 0.188 4.421 1.00 0.00 O ATOM 401 CB LEU X 134 1.904 -1.988 2.402 1.00 0.00 C ATOM 402 CG LEU X 134 1.384 -1.007 1.355 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.029 0.350 1.468 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.658 -1.600 0.015 1.00 0.00 C ATOM 0 H LEU X 134 1.992 -3.732 3.967 1.00 0.00 H new ATOM 0 HA LEU X 134 2.406 -0.984 4.287 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.978 -2.092 2.251 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.457 -2.960 2.193 1.00 0.00 H new ATOM 0 HG LEU X 134 0.316 -0.850 1.509 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.624 1.010 0.701 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.824 0.770 2.453 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.106 0.253 1.332 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.299 -0.925 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.731 -1.752 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.145 -2.558 -0.071 1.00 0.00 H new ATOM 416 N CYS X 135 -0.780 -1.708 3.817 1.00 0.00 N ATOM 417 CA CYS X 135 -2.120 -1.123 3.933 1.00 0.00 C ATOM 418 C CYS X 135 -2.686 -1.091 5.361 1.00 0.00 C ATOM 419 O CYS X 135 -3.510 -0.240 5.712 1.00 0.00 O ATOM 420 CB CYS X 135 -3.094 -1.914 3.040 1.00 0.00 C ATOM 421 SG CYS X 135 -2.764 -1.786 1.299 1.00 0.00 S ATOM 0 H CYS X 135 -0.766 -2.686 3.529 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.018 -0.084 3.618 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.059 -2.965 3.328 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.109 -1.565 3.232 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.637 -2.488 0.639 1.00 0.00 H new ATOM 426 N GLY X 136 -2.276 -2.064 6.152 1.00 0.00 N ATOM 427 CA GLY X 136 -2.757 -2.217 7.514 1.00 0.00 C ATOM 428 C GLY X 136 -4.080 -2.969 7.484 1.00 0.00 C ATOM 429 O GLY X 136 -4.711 -3.204 8.510 1.00 0.00 O ATOM 0 H GLY X 136 -1.599 -2.772 5.869 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.027 -2.761 8.113 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -2.888 -1.240 7.980 1.00 0.00 H new ATOM 433 N ARG X 137 -4.517 -3.327 6.280 1.00 0.00 N ATOM 434 CA ARG X 137 -5.789 -4.041 6.079 1.00 0.00 C ATOM 435 C ARG X 137 -5.554 -5.487 5.675 1.00 0.00 C ATOM 436 O ARG X 137 -4.550 -5.801 5.045 1.00 0.00 O ATOM 437 CB ARG X 137 -6.616 -3.350 4.982 1.00 0.00 C ATOM 438 CG ARG X 137 -6.440 -1.836 4.950 1.00 0.00 C ATOM 439 CD ARG X 137 -6.920 -1.154 6.220 1.00 0.00 C ATOM 440 NE ARG X 137 -6.529 0.252 6.196 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.812 1.117 7.149 1.00 0.00 C ATOM 442 NH1 ARG X 137 -7.497 0.741 8.195 1.00 0.00 N ATOM 443 NH2 ARG X 137 -6.407 2.354 7.052 1.00 0.00 N ATOM 0 H ARG X 137 -4.008 -3.135 5.417 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.329 -4.022 7.026 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -6.334 -3.761 4.013 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.670 -3.582 5.132 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.387 -1.602 4.794 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.986 -1.431 4.098 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.003 -1.240 6.304 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -6.493 -1.646 7.094 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.002 0.587 5.389 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -7.815 -0.225 8.276 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -7.714 1.413 8.931 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -5.870 2.653 6.238 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -6.627 3.022 7.791 1.00 0.00 H new ATOM 457 N GLU X 138 -6.478 -6.361 6.038 1.00 0.00 N ATOM 458 CA GLU X 138 -6.375 -7.783 5.700 1.00 0.00 C ATOM 459 C GLU X 138 -6.212 -8.090 4.196 1.00 0.00 C ATOM 460 O GLU X 138 -6.823 -7.457 3.330 1.00 0.00 O ATOM 461 CB GLU X 138 -7.564 -8.558 6.268 1.00 0.00 C ATOM 462 CG GLU X 138 -8.929 -8.124 5.771 1.00 0.00 C ATOM 463 CD GLU X 138 -10.032 -8.970 6.382 1.00 0.00 C ATOM 464 OE1 GLU X 138 -10.045 -9.072 7.629 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.807 -9.558 5.601 1.00 0.00 O ATOM 0 H GLU X 138 -7.314 -6.116 6.569 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.447 -8.114 6.165 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.431 -9.614 6.034 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.548 -8.468 7.354 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.092 -7.075 6.019 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -8.965 -8.204 4.685 1.00 0.00 H new ATOM 472 N VAL X 139 -5.377 -9.074 3.904 1.00 0.00 N ATOM 473 CA VAL X 139 -5.096 -9.523 2.556 1.00 0.00 C ATOM 474 C VAL X 139 -5.907 -10.742 2.121 1.00 0.00 C ATOM 475 O VAL X 139 -5.588 -11.877 2.443 1.00 0.00 O ATOM 476 CB VAL X 139 -3.584 -9.888 2.390 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.764 -8.667 2.392 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.075 -10.792 3.525 1.00 0.00 C ATOM 0 H VAL X 139 -4.865 -9.593 4.617 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.378 -8.680 1.925 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.497 -10.421 1.443 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.714 -8.934 2.276 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.068 -8.023 1.567 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.902 -8.138 3.335 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.021 -11.018 3.365 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.196 -10.280 4.480 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.647 -11.720 3.536 1.00 0.00 H new ATOM 488 N LEU X 140 -6.965 -10.511 1.363 1.00 0.00 N ATOM 489 CA LEU X 140 -7.753 -11.630 0.858 1.00 0.00 C ATOM 490 C LEU X 140 -6.832 -12.426 -0.084 1.00 0.00 C ATOM 491 O LEU X 140 -6.902 -13.645 -0.201 1.00 0.00 O ATOM 492 CB LEU X 140 -9.036 -11.169 0.134 1.00 0.00 C ATOM 493 CG LEU X 140 -8.979 -10.275 -1.125 1.00 0.00 C ATOM 494 CD1 LEU X 140 -10.399 -10.033 -1.573 1.00 0.00 C ATOM 495 CD2 LEU X 140 -8.332 -8.909 -0.908 1.00 0.00 C ATOM 0 H LEU X 140 -7.295 -9.586 1.087 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.099 -12.248 1.686 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.584 -12.070 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.642 -10.640 0.870 1.00 0.00 H new ATOM 0 HG LEU X 140 -8.365 -10.802 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -10.398 -9.403 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.875 -10.986 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.952 -9.535 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -8.336 -8.352 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.893 -8.356 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -7.304 -9.043 -0.570 1.00 0.00 H new ATOM 507 N ARG X 141 -5.968 -11.679 -0.763 1.00 0.00 N ATOM 508 CA ARG X 141 -4.979 -12.224 -1.697 1.00 0.00 C ATOM 509 C ARG X 141 -3.866 -12.886 -0.891 1.00 0.00 C ATOM 510 O ARG X 141 -3.546 -12.400 0.175 1.00 0.00 O ATOM 511 CB ARG X 141 -4.286 -11.093 -2.467 1.00 0.00 C ATOM 512 CG ARG X 141 -5.170 -10.064 -3.166 1.00 0.00 C ATOM 513 CD ARG X 141 -5.958 -10.589 -4.343 1.00 0.00 C ATOM 514 NE ARG X 141 -6.628 -9.454 -4.976 1.00 0.00 N ATOM 515 CZ ARG X 141 -7.420 -9.525 -6.026 1.00 0.00 C ATOM 516 NH1 ARG X 141 -7.681 -10.676 -6.586 1.00 0.00 N ATOM 517 NH2 ARG X 141 -7.945 -8.435 -6.507 1.00 0.00 N ATOM 0 H ARG X 141 -5.931 -10.663 -0.682 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.493 -12.909 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -3.639 -10.561 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.640 -11.546 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -5.867 -9.652 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -4.542 -9.241 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -5.298 -11.087 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.688 -11.328 -4.014 1.00 0.00 H new ATOM 0 HE ARG X 141 -6.469 -8.531 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -7.270 -11.531 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -8.296 -10.720 -7.399 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -7.742 -7.536 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -8.559 -8.481 -7.320 1.00 0.00 H new ATOM 531 N GLN X 142 -3.238 -13.941 -1.385 1.00 0.00 N ATOM 532 CA GLN X 142 -2.111 -14.513 -0.646 1.00 0.00 C ATOM 533 C GLN X 142 -1.058 -13.398 -0.705 1.00 0.00 C ATOM 534 O GLN X 142 -0.731 -12.899 -1.783 1.00 0.00 O ATOM 535 CB GLN X 142 -1.600 -15.813 -1.256 1.00 0.00 C ATOM 536 CG GLN X 142 -2.568 -16.977 -1.116 1.00 0.00 C ATOM 537 CD GLN X 142 -2.016 -18.256 -1.709 1.00 0.00 C ATOM 538 OE1 GLN X 142 -2.433 -18.701 -2.771 1.00 0.00 O ATOM 539 NE2 GLN X 142 -1.078 -18.859 -1.018 1.00 0.00 N ATOM 0 H GLN X 142 -3.473 -14.408 -2.261 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.382 -14.798 0.371 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.392 -15.650 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.655 -16.079 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -2.793 -17.135 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -3.508 -16.727 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -0.756 -18.458 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -0.671 -19.729 -1.362 1.00 0.00 H new ATOM 548 N ALA X 143 -0.589 -12.961 0.449 1.00 0.00 N ATOM 549 CA ALA X 143 0.363 -11.864 0.521 1.00 0.00 C ATOM 550 C ALA X 143 1.796 -12.152 0.074 1.00 0.00 C ATOM 551 O ALA X 143 2.416 -13.124 0.486 1.00 0.00 O ATOM 552 CB ALA X 143 0.332 -11.289 1.877 1.00 0.00 C ATOM 0 H ALA X 143 -0.852 -13.350 1.354 1.00 0.00 H new ATOM 0 HA ALA X 143 0.024 -11.149 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.043 -10.465 1.939 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.671 -10.920 2.093 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.600 -12.056 2.604 1.00 0.00 H new ATOM 558 N LEU X 144 2.299 -11.275 -0.781 1.00 0.00 N ATOM 559 CA LEU X 144 3.655 -11.344 -1.328 1.00 0.00 C ATOM 560 C LEU X 144 4.633 -10.691 -0.359 1.00 0.00 C ATOM 561 O LEU X 144 4.546 -9.483 -0.151 1.00 0.00 O ATOM 562 CB LEU X 144 3.656 -10.575 -2.642 1.00 0.00 C ATOM 563 CG LEU X 144 3.046 -11.264 -3.873 1.00 0.00 C ATOM 564 CD1 LEU X 144 3.105 -10.334 -5.040 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.823 -12.489 -4.279 1.00 0.00 C ATOM 0 H LEU X 144 1.767 -10.475 -1.125 1.00 0.00 H new ATOM 0 HA LEU X 144 3.955 -12.380 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.122 -9.638 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.688 -10.317 -2.879 1.00 0.00 H new ATOM 0 HG LEU X 144 2.026 -11.540 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.673 -10.820 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.542 -9.429 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU X 144 4.143 -10.073 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.356 -12.943 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.848 -12.206 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.829 -13.205 -3.457 1.00 0.00 H new ATOM 577 N ARG X 145 5.551 -11.438 0.251 1.00 0.00 N ATOM 578 CA ARG X 145 6.441 -10.809 1.222 1.00 0.00 C ATOM 579 C ARG X 145 7.863 -10.636 0.808 1.00 0.00 C ATOM 580 O ARG X 145 8.601 -11.609 0.781 1.00 0.00 O ATOM 581 CB ARG X 145 6.430 -11.584 2.550 1.00 0.00 C ATOM 582 CG ARG X 145 7.240 -10.842 3.628 1.00 0.00 C ATOM 583 CD ARG X 145 7.172 -11.463 5.013 1.00 0.00 C ATOM 584 NE ARG X 145 7.923 -10.627 5.961 1.00 0.00 N ATOM 585 CZ ARG X 145 7.426 -9.551 6.562 1.00 0.00 C ATOM 586 NH1 ARG X 145 6.197 -9.180 6.342 1.00 0.00 N ATOM 587 NH2 ARG X 145 8.160 -8.849 7.377 1.00 0.00 N ATOM 0 H ARG X 145 5.695 -12.436 0.100 1.00 0.00 H new ATOM 0 HA ARG X 145 6.028 -9.805 1.319 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.403 -11.717 2.889 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.847 -12.580 2.398 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.283 -10.800 3.314 1.00 0.00 H new ATOM 0 HG3 ARG X 145 6.883 -9.814 3.688 1.00 0.00 H new ATOM 0 HD2 ARG X 145 6.134 -11.552 5.333 1.00 0.00 H new ATOM 0 HD3 ARG X 145 7.587 -12.471 4.992 1.00 0.00 H new ATOM 0 HE ARG X 145 8.886 -10.889 6.171 1.00 0.00 H new ATOM 0 HH11 ARG X 145 5.609 -9.717 5.705 1.00 0.00 H new ATOM 0 HH12 ARG X 145 5.823 -8.353 6.807 1.00 0.00 H new ATOM 0 HH21 ARG X 145 9.125 -9.123 7.559 1.00 0.00 H new ATOM 0 HH22 ARG X 145 7.770 -8.025 7.834 1.00 0.00 H new ATOM 601 N CYS X 146 8.301 -9.431 0.492 1.00 0.00 N ATOM 602 CA CYS X 146 9.710 -9.300 0.162 1.00 0.00 C ATOM 603 C CYS X 146 10.390 -9.238 1.540 1.00 0.00 C ATOM 604 O CYS X 146 10.621 -8.170 2.110 1.00 0.00 O ATOM 605 CB CYS X 146 10.044 -8.106 -0.695 1.00 0.00 C ATOM 606 SG CYS X 146 11.849 -8.013 -0.951 1.00 0.00 S ATOM 0 H CYS X 146 7.744 -8.577 0.457 1.00 0.00 H new ATOM 0 HA CYS X 146 10.052 -10.129 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.535 -8.183 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.688 -7.193 -0.217 1.00 0.00 H new ATOM 0 HG CYS X 146 12.315 -6.947 -0.371 1.00 0.00 H new ATOM 611 N ALA X 147 10.644 -10.416 2.077 1.00 0.00 N ATOM 612 CA ALA X 147 11.237 -10.591 3.398 1.00 0.00 C ATOM 613 C ALA X 147 12.595 -9.910 3.512 1.00 0.00 C ATOM 614 O ALA X 147 13.090 -9.675 4.605 1.00 0.00 O ATOM 615 CB ALA X 147 11.367 -12.078 3.703 1.00 0.00 C ATOM 0 H ALA X 147 10.442 -11.296 1.603 1.00 0.00 H new ATOM 0 HA ALA X 147 10.578 -10.118 4.127 1.00 0.00 H new ATOM 0 HB1 ALA X 147 11.810 -12.210 4.690 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.380 -12.541 3.683 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.004 -12.549 2.954 1.00 0.00 H new ATOM 621 N ASN X 148 13.192 -9.623 2.370 1.00 0.00 N ATOM 622 CA ASN X 148 14.483 -8.966 2.335 1.00 0.00 C ATOM 623 C ASN X 148 14.584 -7.574 2.850 1.00 0.00 C ATOM 624 O ASN X 148 15.678 -7.140 3.195 1.00 0.00 O ATOM 625 CB ASN X 148 15.073 -9.019 0.935 1.00 0.00 C ATOM 626 CG ASN X 148 15.528 -10.393 0.558 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.202 -11.365 1.216 1.00 0.00 O ATOM 628 ND2 ASN X 148 16.277 -10.484 -0.499 1.00 0.00 N ATOM 0 H ASN X 148 12.801 -9.836 1.452 1.00 0.00 H new ATOM 0 HA ASN X 148 15.053 -9.552 3.056 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.328 -8.676 0.217 1.00 0.00 H new ATOM 0 HB3 ASN X 148 15.916 -8.331 0.873 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.616 -11.395 -0.807 1.00 0.00 H new ATOM 0 HD22 ASN X 148 16.526 -9.644 -1.021 1.00 0.00 H new ATOM 635 N CYS X 149 13.482 -6.869 2.912 1.00 0.00 N ATOM 636 CA CYS X 149 13.561 -5.514 3.362 1.00 0.00 C ATOM 637 C CYS X 149 12.308 -4.931 3.961 1.00 0.00 C ATOM 638 O CYS X 149 12.279 -4.410 5.077 1.00 0.00 O ATOM 639 CB CYS X 149 13.940 -4.705 2.101 1.00 0.00 C ATOM 640 SG CYS X 149 12.878 -5.035 0.651 1.00 0.00 S ATOM 0 H CYS X 149 12.550 -7.202 2.664 1.00 0.00 H new ATOM 0 HA CYS X 149 14.279 -5.473 4.181 1.00 0.00 H new ATOM 0 HB2 CYS X 149 13.893 -3.642 2.337 1.00 0.00 H new ATOM 0 HB3 CYS X 149 14.974 -4.927 1.838 1.00 0.00 H new ATOM 0 HG CYS X 149 13.601 -5.518 -0.316 1.00 0.00 H new ATOM 645 N LYS X 150 11.296 -4.976 3.136 1.00 0.00 N ATOM 646 CA LYS X 150 10.015 -4.365 3.453 1.00 0.00 C ATOM 647 C LYS X 150 8.855 -5.113 4.099 1.00 0.00 C ATOM 648 O LYS X 150 8.738 -5.129 5.315 1.00 0.00 O ATOM 649 CB LYS X 150 9.549 -3.656 2.192 1.00 0.00 C ATOM 650 CG LYS X 150 10.435 -2.458 1.867 1.00 0.00 C ATOM 651 CD LYS X 150 9.964 -1.819 0.600 1.00 0.00 C ATOM 652 CE LYS X 150 10.703 -0.517 0.308 1.00 0.00 C ATOM 653 NZ LYS X 150 12.180 -0.690 0.078 1.00 0.00 N ATOM 0 H LYS X 150 11.327 -5.434 2.225 1.00 0.00 H new ATOM 0 HA LYS X 150 10.273 -3.750 4.315 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.558 -4.355 1.355 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.518 -3.324 2.319 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.404 -1.737 2.684 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.472 -2.777 1.762 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.107 -2.511 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS X 150 8.894 -1.621 0.670 1.00 0.00 H new ATOM 0 HE2 LYS X 150 10.261 -0.050 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.553 0.169 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.601 0.225 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 12.628 -1.044 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.334 -1.371 -0.692 1.00 0.00 H new ATOM 667 N PHE X 151 7.971 -5.702 3.308 1.00 0.00 N ATOM 668 CA PHE X 151 6.797 -6.351 3.881 1.00 0.00 C ATOM 669 C PHE X 151 6.019 -7.392 3.087 1.00 0.00 C ATOM 670 O PHE X 151 6.387 -7.733 1.971 1.00 0.00 O ATOM 671 CB PHE X 151 5.816 -5.211 4.138 1.00 0.00 C ATOM 672 CG PHE X 151 5.752 -4.184 3.043 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.306 -4.513 1.773 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.122 -2.871 3.299 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.242 -3.564 0.787 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.055 -1.917 2.306 1.00 0.00 C ATOM 677 CZ PHE X 151 5.612 -2.261 1.054 1.00 0.00 C ATOM 0 H PHE X 151 8.038 -5.746 2.291 1.00 0.00 H new ATOM 0 HA PHE X 151 7.190 -6.924 4.721 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.821 -5.631 4.283 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.091 -4.715 5.069 1.00 0.00 H new ATOM 0 HD1 PHE X 151 5.006 -5.528 1.558 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.465 -2.594 4.285 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.901 -3.836 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.351 -0.899 2.514 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.553 -1.513 0.277 1.00 0.00 H new ATOM 687 N THR X 152 4.913 -7.845 3.677 1.00 0.00 N ATOM 688 CA THR X 152 4.001 -8.801 3.073 1.00 0.00 C ATOM 689 C THR X 152 2.763 -8.008 2.653 1.00 0.00 C ATOM 690 O THR X 152 1.932 -7.636 3.452 1.00 0.00 O ATOM 691 CB THR X 152 3.711 -9.983 4.049 1.00 0.00 C ATOM 692 OG1 THR X 152 2.962 -10.991 3.382 1.00 0.00 O ATOM 693 CG2 THR X 152 2.951 -9.594 5.278 1.00 0.00 C ATOM 0 H THR X 152 4.625 -7.547 4.609 1.00 0.00 H new ATOM 0 HA THR X 152 4.424 -9.283 2.191 1.00 0.00 H new ATOM 0 HB THR X 152 4.691 -10.340 4.365 1.00 0.00 H new ATOM 0 HG1 THR X 152 2.517 -11.560 4.044 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.792 -10.474 5.901 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.519 -8.851 5.837 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.987 -9.173 4.992 1.00 0.00 H new ATOM 701 N CYS X 153 2.689 -7.707 1.381 1.00 0.00 N ATOM 702 CA CYS X 153 1.597 -6.901 0.843 1.00 0.00 C ATOM 703 C CYS X 153 0.562 -7.695 0.064 1.00 0.00 C ATOM 704 O CYS X 153 0.819 -8.840 -0.304 1.00 0.00 O ATOM 705 CB CYS X 153 2.217 -5.892 -0.121 1.00 0.00 C ATOM 706 SG CYS X 153 3.043 -6.662 -1.531 1.00 0.00 S ATOM 0 H CYS X 153 3.373 -8.006 0.686 1.00 0.00 H new ATOM 0 HA CYS X 153 1.081 -6.449 1.690 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.438 -5.223 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.936 -5.277 0.421 1.00 0.00 H new ATOM 0 HG CYS X 153 2.153 -7.069 -2.386 1.00 0.00 H new ATOM 712 N HIS X 154 -0.577 -7.083 -0.253 1.00 0.00 N ATOM 713 CA HIS X 154 -1.570 -7.781 -1.091 1.00 0.00 C ATOM 714 C HIS X 154 -0.822 -8.066 -2.394 1.00 0.00 C ATOM 715 O HIS X 154 0.030 -7.260 -2.815 1.00 0.00 O ATOM 716 CB HIS X 154 -2.824 -6.965 -1.499 1.00 0.00 C ATOM 717 CG HIS X 154 -3.711 -6.526 -0.374 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.433 -5.440 0.458 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.919 -7.040 0.030 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.479 -5.367 1.338 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.368 -6.311 1.090 1.00 0.00 N ATOM 0 H HIS X 154 -0.837 -6.141 0.040 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.940 -8.632 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.497 -6.080 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.416 -7.565 -2.190 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.618 -4.827 0.418 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.428 -7.881 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.565 -4.636 2.128 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.237 -6.467 1.601 1.00 0.00 H new ATOM 729 N SER X 155 -1.137 -9.174 -3.052 1.00 0.00 N ATOM 730 CA SER X 155 -0.468 -9.489 -4.308 1.00 0.00 C ATOM 731 C SER X 155 -0.639 -8.284 -5.230 1.00 0.00 C ATOM 732 O SER X 155 0.303 -7.822 -5.829 1.00 0.00 O ATOM 733 CB SER X 155 -1.021 -10.768 -4.942 1.00 0.00 C ATOM 734 OG SER X 155 -2.405 -10.659 -5.229 1.00 0.00 O ATOM 0 H SER X 155 -1.833 -9.854 -2.748 1.00 0.00 H new ATOM 0 HA SER X 155 0.590 -9.682 -4.131 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.475 -10.983 -5.861 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.855 -11.609 -4.268 1.00 0.00 H new ATOM 0 HG SER X 155 -2.722 -11.493 -5.634 1.00 0.00 H new ATOM 740 N GLU X 156 -1.853 -7.770 -5.316 1.00 0.00 N ATOM 741 CA GLU X 156 -2.153 -6.594 -6.130 1.00 0.00 C ATOM 742 C GLU X 156 -1.382 -5.328 -5.660 1.00 0.00 C ATOM 743 O GLU X 156 -0.923 -4.538 -6.488 1.00 0.00 O ATOM 744 CB GLU X 156 -3.680 -6.409 -6.161 1.00 0.00 C ATOM 745 CG GLU X 156 -4.314 -6.162 -4.796 1.00 0.00 C ATOM 746 CD GLU X 156 -5.833 -6.240 -4.826 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.400 -6.049 -5.921 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.331 -6.924 -3.902 1.00 0.00 O ATOM 0 H GLU X 156 -2.662 -8.152 -4.826 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.799 -6.751 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.919 -5.571 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.132 -7.297 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.932 -6.895 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.013 -5.179 -4.434 1.00 0.00 H new ATOM 755 N CYS X 157 -1.203 -5.162 -4.347 1.00 0.00 N ATOM 756 CA CYS X 157 -0.473 -4.018 -3.792 1.00 0.00 C ATOM 757 C CYS X 157 1.019 -4.029 -4.135 1.00 0.00 C ATOM 758 O CYS X 157 1.678 -2.996 -4.041 1.00 0.00 O ATOM 759 CB CYS X 157 -0.632 -3.960 -2.259 1.00 0.00 C ATOM 760 SG CYS X 157 -2.269 -3.498 -1.725 1.00 0.00 S ATOM 0 H CYS X 157 -1.556 -5.810 -3.643 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.913 -3.134 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.384 -4.935 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.087 -3.247 -1.855 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.195 -2.881 -0.583 1.00 0.00 H new ATOM 765 N ARG X 158 1.565 -5.180 -4.519 1.00 0.00 N ATOM 766 CA ARG X 158 3.013 -5.248 -4.838 1.00 0.00 C ATOM 767 C ARG X 158 3.396 -4.238 -5.917 1.00 0.00 C ATOM 768 O ARG X 158 4.533 -3.787 -5.972 1.00 0.00 O ATOM 769 CB ARG X 158 3.437 -6.660 -5.299 1.00 0.00 C ATOM 770 CG ARG X 158 3.032 -7.090 -6.744 1.00 0.00 C ATOM 771 CD ARG X 158 3.995 -6.603 -7.834 1.00 0.00 C ATOM 772 NE ARG X 158 5.314 -7.221 -7.708 1.00 0.00 N ATOM 773 CZ ARG X 158 6.357 -6.870 -8.432 1.00 0.00 C ATOM 774 NH1 ARG X 158 6.251 -5.915 -9.316 1.00 0.00 N ATOM 775 NH2 ARG X 158 7.502 -7.476 -8.271 1.00 0.00 N ATOM 0 H ARG X 158 1.058 -6.059 -4.619 1.00 0.00 H new ATOM 0 HA ARG X 158 3.539 -5.006 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.522 -6.731 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.017 -7.384 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.973 -8.178 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.034 -6.709 -6.959 1.00 0.00 H new ATOM 0 HD2 ARG X 158 3.579 -6.831 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.094 -5.519 -7.774 1.00 0.00 H new ATOM 0 HE ARG X 158 5.433 -7.966 -7.021 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.359 -5.438 -9.447 1.00 0.00 H new ATOM 0 HH12 ARG X 158 7.060 -5.645 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.591 -8.224 -7.583 1.00 0.00 H new ATOM 0 HH22 ARG X 158 8.308 -7.202 -8.833 1.00 0.00 H new ATOM 789 N SER X 159 2.455 -3.903 -6.790 1.00 0.00 N ATOM 790 CA SER X 159 2.725 -2.968 -7.882 1.00 0.00 C ATOM 791 C SER X 159 2.847 -1.510 -7.458 1.00 0.00 C ATOM 792 O SER X 159 3.207 -0.665 -8.265 1.00 0.00 O ATOM 793 CB SER X 159 1.610 -3.085 -8.913 1.00 0.00 C ATOM 794 OG SER X 159 1.669 -4.352 -9.553 1.00 0.00 O ATOM 0 H SER X 159 1.500 -4.262 -6.766 1.00 0.00 H new ATOM 0 HA SER X 159 3.698 -3.248 -8.287 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.642 -2.958 -8.429 1.00 0.00 H new ATOM 0 HB3 SER X 159 1.703 -2.290 -9.653 1.00 0.00 H new ATOM 0 HG SER X 159 0.948 -4.419 -10.213 1.00 0.00 H new ATOM 800 N LEU X 160 2.575 -1.213 -6.196 1.00 0.00 N ATOM 801 CA LEU X 160 2.678 0.155 -5.698 1.00 0.00 C ATOM 802 C LEU X 160 4.092 0.404 -5.204 1.00 0.00 C ATOM 803 O LEU X 160 4.434 1.499 -4.774 1.00 0.00 O ATOM 804 CB LEU X 160 1.680 0.362 -4.553 1.00 0.00 C ATOM 805 CG LEU X 160 0.228 -0.014 -4.871 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.639 0.346 -3.701 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.257 0.671 -6.116 1.00 0.00 C ATOM 0 H LEU X 160 2.282 -1.897 -5.498 1.00 0.00 H new ATOM 0 HA LEU X 160 2.448 0.856 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.010 -0.224 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.709 1.410 -4.253 1.00 0.00 H new ATOM 0 HG LEU X 160 0.176 -1.088 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.674 0.081 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.304 -0.199 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.570 1.418 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.290 0.382 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.202 1.751 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.368 0.378 -6.960 1.00 0.00 H new ATOM 819 N ILE X 161 4.914 -0.631 -5.269 1.00 0.00 N ATOM 820 CA ILE X 161 6.303 -0.538 -4.842 1.00 0.00 C ATOM 821 C ILE X 161 7.154 -0.622 -6.100 1.00 0.00 C ATOM 822 O ILE X 161 7.086 -1.613 -6.829 1.00 0.00 O ATOM 823 CB ILE X 161 6.744 -1.672 -3.853 1.00 0.00 C ATOM 824 CG1 ILE X 161 5.915 -1.721 -2.550 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.161 -1.415 -3.405 1.00 0.00 C ATOM 826 CD1 ILE X 161 4.455 -2.090 -2.688 1.00 0.00 C ATOM 0 H ILE X 161 4.642 -1.551 -5.615 1.00 0.00 H new ATOM 0 HA ILE X 161 6.429 0.398 -4.298 1.00 0.00 H new ATOM 0 HB ILE X 161 6.612 -2.603 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE X 161 6.384 -2.436 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE X 161 5.975 -0.744 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.473 -2.201 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE X 161 8.821 -1.409 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.214 -0.450 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE X 161 3.985 -2.089 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE X 161 3.955 -1.364 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE X 161 4.371 -3.083 -3.130 1.00 0.00 H new ATOM 838 N GLN X 162 7.926 0.425 -6.365 1.00 0.00 N ATOM 839 CA GLN X 162 8.809 0.521 -7.549 1.00 0.00 C ATOM 840 C GLN X 162 10.017 -0.457 -7.553 1.00 0.00 C ATOM 841 O GLN X 162 11.110 -0.109 -7.979 1.00 0.00 O ATOM 842 CB GLN X 162 9.307 1.966 -7.686 1.00 0.00 C ATOM 843 CG GLN X 162 8.185 2.957 -7.993 1.00 0.00 C ATOM 844 CD GLN X 162 8.692 4.375 -8.140 1.00 0.00 C ATOM 845 OE1 GLN X 162 9.280 4.933 -7.233 1.00 0.00 O ATOM 846 NE2 GLN X 162 8.460 4.961 -9.287 1.00 0.00 N ATOM 0 H GLN X 162 7.966 1.248 -5.764 1.00 0.00 H new ATOM 0 HA GLN X 162 8.200 0.223 -8.402 1.00 0.00 H new ATOM 0 HB2 GLN X 162 9.804 2.263 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN X 162 10.054 2.014 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.681 2.657 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN X 162 7.443 2.920 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN X 162 7.964 4.461 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN X 162 8.776 5.918 -9.444 1.00 0.00 H new ATOM 855 N LEU X 163 9.776 -1.670 -7.070 1.00 0.00 N ATOM 856 CA LEU X 163 10.743 -2.784 -6.973 1.00 0.00 C ATOM 857 C LEU X 163 11.924 -2.513 -6.033 1.00 0.00 C ATOM 858 O LEU X 163 12.846 -3.317 -5.947 1.00 0.00 O ATOM 859 CB LEU X 163 11.280 -3.202 -8.366 1.00 0.00 C ATOM 860 CG LEU X 163 10.352 -3.856 -9.406 1.00 0.00 C ATOM 861 CD1 LEU X 163 9.881 -5.195 -8.886 1.00 0.00 C ATOM 862 CD2 LEU X 163 9.149 -3.024 -9.812 1.00 0.00 C ATOM 0 H LEU X 163 8.856 -1.928 -6.714 1.00 0.00 H new ATOM 0 HA LEU X 163 10.170 -3.603 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU X 163 11.700 -2.309 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU X 163 12.107 -3.892 -8.196 1.00 0.00 H new ATOM 0 HG LEU X 163 10.954 -3.961 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU X 163 9.224 -5.660 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU X 163 10.742 -5.840 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU X 163 9.337 -5.052 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU X 163 8.559 -3.572 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU X 163 8.536 -2.819 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.487 -2.083 -10.246 1.00 0.00 H new ATOM 874 N ASP X 164 11.879 -1.412 -5.306 1.00 0.00 N ATOM 875 CA ASP X 164 12.919 -1.082 -4.338 1.00 0.00 C ATOM 876 C ASP X 164 12.951 -2.031 -3.181 1.00 0.00 C ATOM 877 O ASP X 164 12.076 -2.078 -2.319 1.00 0.00 O ATOM 878 CB ASP X 164 12.825 0.387 -3.901 1.00 0.00 C ATOM 879 CG ASP X 164 11.524 0.711 -3.191 1.00 0.00 C ATOM 880 OD1 ASP X 164 10.468 0.626 -3.861 1.00 0.00 O ATOM 881 OD2 ASP X 164 11.609 1.198 -2.043 1.00 0.00 O ATOM 0 H ASP X 164 11.129 -0.724 -5.366 1.00 0.00 H new ATOM 0 HA ASP X 164 13.879 -1.205 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP X 164 13.661 0.618 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP X 164 12.924 1.028 -4.777 1.00 0.00 H new ATOM 886 N CYS X 165 14.026 -2.784 -3.179 1.00 0.00 N ATOM 887 CA CYS X 165 14.335 -3.720 -2.184 1.00 0.00 C ATOM 888 C CYS X 165 15.378 -2.925 -1.394 1.00 0.00 C ATOM 889 O CYS X 165 15.327 -1.701 -1.271 1.00 0.00 O ATOM 890 CB CYS X 165 14.848 -5.038 -2.794 1.00 0.00 C ATOM 891 SG CYS X 165 15.124 -6.413 -1.650 1.00 0.00 S ATOM 0 H CYS X 165 14.728 -2.740 -3.918 1.00 0.00 H new ATOM 0 HA CYS X 165 13.506 -4.067 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS X 165 14.133 -5.363 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.786 -4.831 -3.310 1.00 0.00 H new ATOM 0 HG CYS X 165 13.997 -7.018 -1.419 1.00 0.00 H new ATOM 896 N ARG X 166 16.244 -3.697 -0.813 1.00 0.00 N ATOM 897 CA ARG X 166 17.352 -3.231 0.033 1.00 0.00 C ATOM 898 C ARG X 166 18.233 -2.217 -0.687 1.00 0.00 C ATOM 899 O ARG X 166 18.871 -1.445 0.057 1.00 0.00 O ATOM 900 CB ARG X 166 18.238 -4.412 0.428 1.00 0.00 C ATOM 901 CG ARG X 166 17.528 -5.454 1.255 1.00 0.00 C ATOM 902 CD ARG X 166 18.463 -6.592 1.631 1.00 0.00 C ATOM 903 NE ARG X 166 19.507 -6.141 2.549 1.00 0.00 N ATOM 904 CZ ARG X 166 19.343 -6.021 3.854 1.00 0.00 C ATOM 905 NH1 ARG X 166 18.202 -6.318 4.416 1.00 0.00 N ATOM 906 NH2 ARG X 166 20.330 -5.600 4.595 1.00 0.00 N ATOM 907 OXT ARG X 166 18.471 -2.449 -1.890 1.00 0.00 O ATOM 0 H ARG X 166 16.216 -4.712 -0.905 1.00 0.00 H new ATOM 0 HA ARG X 166 16.904 -2.760 0.908 1.00 0.00 H new ATOM 0 HB2 ARG X 166 18.626 -4.881 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG X 166 19.096 -4.040 0.988 1.00 0.00 H new ATOM 0 HG2 ARG X 166 17.129 -4.994 2.159 1.00 0.00 H new ATOM 0 HG3 ARG X 166 16.679 -5.848 0.697 1.00 0.00 H new ATOM 0 HD2 ARG X 166 17.892 -7.397 2.094 1.00 0.00 H new ATOM 0 HD3 ARG X 166 18.920 -7.002 0.731 1.00 0.00 H new ATOM 0 HE ARG X 166 20.419 -5.904 2.158 1.00 0.00 H new ATOM 0 HH11 ARG X 166 17.423 -6.648 3.846 1.00 0.00 H new ATOM 0 HH12 ARG X 166 18.090 -6.220 5.425 1.00 0.00 H new ATOM 0 HH21 ARG X 166 21.225 -5.365 4.166 1.00 0.00 H new ATOM 0 HH22 ARG X 166 20.207 -5.506 5.603 1.00 0.00 H new