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 -140:sc= 0.909 USER MOD Set 1.2: X 135 CYS SG : rot -179:sc= 1.98 USER MOD Set 1.3: X 154 HIS : +bothHN:sc= -1.92 K(o=0.61,f=-12!) USER MOD Set 1.4: X 157 CYS SG : rot -141:sc= -0.363 USER MOD Set 2.1: X 118 HIS : no HE2:sc= -6.3! C(o=-6!,f=-15!) USER MOD Set 2.2: X 146 CYS SG : rot -113:sc= 0.269 USER MOD Set 2.3: X 148 ASN : amide:sc= -0.191 K(o=-6,f=-11!) USER MOD Set 2.4: X 149 CYS SG : rot -110:sc= -0.184 USER MOD Set 2.5: X 165 CYS SG : rot 102:sc= 0.376 USER MOD Single : X 142 GLN : amide:sc= 1.69 K(o=1.7,f=-9.3!) USER MOD Single : X 150 LYS NZ :NH3+ -161:sc= 0.0425 (180deg=0.00742) USER MOD Single : X 152 THR OG1 : rot 40:sc= -0.0377 USER MOD Single : X 153 CYS SG : rot -114:sc= -0.131 USER MOD Single : X 155 SER OG : rot 180:sc= 0 USER MOD Single : X 159 SER OG : rot -74:sc= 1.21 USER MOD Single : X 162 GLN : amide:sc=-0.00443 X(o=-0.0044,f=0) USER MOD ----------------------------------------------------------------- ATOM 152 N HIS X 118 12.638 -6.811 -5.231 1.00 0.00 N ATOM 153 CA HIS X 118 11.831 -7.487 -4.210 1.00 0.00 C ATOM 154 C HIS X 118 11.335 -8.884 -4.557 1.00 0.00 C ATOM 155 O HIS X 118 10.579 -9.062 -5.510 1.00 0.00 O ATOM 156 CB HIS X 118 10.582 -6.687 -3.888 1.00 0.00 C ATOM 157 CG HIS X 118 10.840 -5.362 -3.261 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.739 -5.177 -2.225 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.254 -4.152 -3.507 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.665 -3.866 -1.905 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.801 -3.236 -2.679 1.00 0.00 N ATOM 0 HA HIS X 118 12.530 -7.569 -3.378 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.016 -6.535 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS X 118 9.952 -7.274 -3.220 1.00 0.00 H new ATOM 0 HD1 HIS X 118 12.334 -5.884 -1.793 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.484 -3.961 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS X 118 12.238 -3.396 -1.119 1.00 0.00 H new ATOM 169 N ARG X 119 11.726 -9.876 -3.765 1.00 0.00 N ATOM 170 CA ARG X 119 11.253 -11.244 -3.994 1.00 0.00 C ATOM 171 C ARG X 119 9.736 -11.371 -3.828 1.00 0.00 C ATOM 172 O ARG X 119 9.087 -12.041 -4.619 1.00 0.00 O ATOM 173 CB ARG X 119 11.990 -12.280 -3.115 1.00 0.00 C ATOM 174 CG ARG X 119 11.880 -12.060 -1.602 1.00 0.00 C ATOM 175 CD ARG X 119 12.416 -13.240 -0.785 1.00 0.00 C ATOM 176 NE ARG X 119 13.828 -13.536 -0.993 1.00 0.00 N ATOM 177 CZ ARG X 119 14.549 -14.294 -0.187 1.00 0.00 C ATOM 178 NH1 ARG X 119 14.010 -14.816 0.884 1.00 0.00 N ATOM 179 NH2 ARG X 119 15.799 -14.530 -0.451 1.00 0.00 N ATOM 0 H ARG X 119 12.358 -9.767 -2.972 1.00 0.00 H new ATOM 0 HA ARG X 119 11.491 -11.469 -5.034 1.00 0.00 H new ATOM 0 HB2 ARG X 119 11.602 -13.271 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.045 -12.278 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.429 -11.158 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG X 119 10.836 -11.888 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG X 119 12.254 -13.034 0.273 1.00 0.00 H new ATOM 0 HD3 ARG X 119 11.833 -14.128 -1.030 1.00 0.00 H new ATOM 0 HE ARG X 119 14.287 -13.133 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG X 119 13.029 -14.638 1.100 1.00 0.00 H new ATOM 0 HH12 ARG X 119 14.571 -15.401 1.504 1.00 0.00 H new ATOM 0 HH21 ARG X 119 16.229 -14.129 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG X 119 16.351 -15.116 0.175 1.00 0.00 H new ATOM 193 N PHE X 120 9.195 -10.753 -2.780 1.00 0.00 N ATOM 194 CA PHE X 120 7.755 -10.800 -2.476 1.00 0.00 C ATOM 195 C PHE X 120 7.273 -12.258 -2.420 1.00 0.00 C ATOM 196 O PHE X 120 6.415 -12.677 -3.190 1.00 0.00 O ATOM 197 CB PHE X 120 6.877 -10.026 -3.461 1.00 0.00 C ATOM 198 CG PHE X 120 7.051 -8.537 -3.448 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.749 -7.809 -2.308 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.420 -7.856 -4.594 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.834 -6.433 -2.307 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.488 -6.474 -4.597 1.00 0.00 C ATOM 203 CZ PHE X 120 7.201 -5.766 -3.451 1.00 0.00 C ATOM 0 H PHE X 120 9.738 -10.204 -2.114 1.00 0.00 H new ATOM 0 HA PHE X 120 7.648 -10.311 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.083 -10.390 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE X 120 5.833 -10.254 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.444 -8.326 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE X 120 7.657 -8.407 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.612 -5.879 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE X 120 7.767 -5.950 -5.499 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.264 -4.688 -3.451 1.00 0.00 H new ATOM 213 N VAL X 121 7.850 -13.050 -1.544 1.00 0.00 N ATOM 214 CA VAL X 121 7.447 -14.481 -1.463 1.00 0.00 C ATOM 215 C VAL X 121 6.187 -14.748 -0.615 1.00 0.00 C ATOM 216 O VAL X 121 6.152 -14.451 0.563 1.00 0.00 O ATOM 217 CB VAL X 121 8.608 -15.422 -1.024 1.00 0.00 C ATOM 218 CG1 VAL X 121 9.637 -15.525 -2.145 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.302 -14.930 0.244 1.00 0.00 C ATOM 0 H VAL X 121 8.577 -12.764 -0.888 1.00 0.00 H new ATOM 0 HA VAL X 121 7.184 -14.724 -2.492 1.00 0.00 H new ATOM 0 HB VAL X 121 8.172 -16.398 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.448 -16.184 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.162 -15.930 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.037 -14.535 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.104 -15.619 0.510 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.719 -13.938 0.069 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.580 -14.882 1.059 1.00 0.00 H new ATOM 229 N GLU X 122 5.147 -15.312 -1.211 1.00 0.00 N ATOM 230 CA GLU X 122 3.900 -15.590 -0.475 1.00 0.00 C ATOM 231 C GLU X 122 4.064 -16.402 0.819 1.00 0.00 C ATOM 232 O GLU X 122 4.896 -17.313 0.897 1.00 0.00 O ATOM 233 CB GLU X 122 2.882 -16.328 -1.364 1.00 0.00 C ATOM 234 CG GLU X 122 3.293 -17.705 -1.865 1.00 0.00 C ATOM 235 CD GLU X 122 2.191 -18.357 -2.707 1.00 0.00 C ATOM 236 OE1 GLU X 122 1.121 -17.722 -2.874 1.00 0.00 O ATOM 237 OE2 GLU X 122 2.408 -19.511 -3.132 1.00 0.00 O ATOM 0 H GLU X 122 5.130 -15.588 -2.193 1.00 0.00 H new ATOM 0 HA GLU X 122 3.547 -14.598 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU X 122 1.952 -16.432 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU X 122 2.666 -15.701 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU X 122 4.202 -17.619 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.528 -18.346 -1.015 1.00 0.00 H new ATOM 244 N LEU X 123 3.290 -16.068 1.849 1.00 0.00 N ATOM 245 CA LEU X 123 3.372 -16.819 3.111 1.00 0.00 C ATOM 246 C LEU X 123 2.293 -17.908 3.172 1.00 0.00 C ATOM 247 O LEU X 123 1.242 -17.813 2.540 1.00 0.00 O ATOM 248 CB LEU X 123 3.278 -15.935 4.369 1.00 0.00 C ATOM 249 CG LEU X 123 1.966 -15.279 4.807 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.265 -14.462 6.037 1.00 0.00 C ATOM 251 CD2 LEU X 123 1.378 -14.377 3.791 1.00 0.00 C ATOM 0 H LEU X 123 2.614 -15.304 1.843 1.00 0.00 H new ATOM 0 HA LEU X 123 4.363 -17.272 3.113 1.00 0.00 H new ATOM 0 HB2 LEU X 123 3.619 -16.544 5.206 1.00 0.00 H new ATOM 0 HB3 LEU X 123 4.004 -15.131 4.243 1.00 0.00 H new ATOM 0 HG LEU X 123 1.241 -16.075 4.979 1.00 0.00 H new ATOM 0 HD11 LEU X 123 1.352 -13.976 6.382 1.00 0.00 H new ATOM 0 HD12 LEU X 123 2.648 -15.114 6.822 1.00 0.00 H new ATOM 0 HD13 LEU X 123 3.011 -13.704 5.798 1.00 0.00 H new ATOM 0 HD21 LEU X 123 0.451 -13.951 4.175 1.00 0.00 H new ATOM 0 HD22 LEU X 123 2.081 -13.574 3.567 1.00 0.00 H new ATOM 0 HD23 LEU X 123 1.169 -14.940 2.882 1.00 0.00 H new ATOM 330 N PRO X 129 -7.357 -14.824 7.849 1.00 0.00 N ATOM 331 CA PRO X 129 -6.846 -13.454 7.713 1.00 0.00 C ATOM 332 C PRO X 129 -5.331 -13.309 7.631 1.00 0.00 C ATOM 333 O PRO X 129 -4.577 -14.005 8.304 1.00 0.00 O ATOM 334 CB PRO X 129 -7.311 -12.797 9.016 1.00 0.00 C ATOM 335 CG PRO X 129 -7.304 -13.921 9.995 1.00 0.00 C ATOM 336 CD PRO X 129 -7.830 -15.093 9.220 1.00 0.00 C ATOM 0 HA PRO X 129 -7.206 -13.024 6.778 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.640 -11.994 9.322 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -8.305 -12.361 8.913 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -6.300 -14.113 10.373 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.933 -13.701 10.858 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -7.442 -16.037 9.603 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.917 -15.153 9.267 1.00 0.00 H new ATOM 344 N GLY X 130 -4.896 -12.362 6.820 1.00 0.00 N ATOM 345 CA GLY X 130 -3.487 -12.068 6.679 1.00 0.00 C ATOM 346 C GLY X 130 -3.549 -10.574 6.509 1.00 0.00 C ATOM 347 O GLY X 130 -4.630 -10.081 6.199 1.00 0.00 O ATOM 0 H GLY X 130 -5.506 -11.781 6.246 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.910 -12.364 7.555 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -3.041 -12.567 5.819 1.00 0.00 H new ATOM 351 N TRP X 131 -2.464 -9.845 6.707 1.00 0.00 N ATOM 352 CA TRP X 131 -2.506 -8.389 6.591 1.00 0.00 C ATOM 353 C TRP X 131 -1.422 -7.779 5.693 1.00 0.00 C ATOM 354 O TRP X 131 -0.263 -8.152 5.801 1.00 0.00 O ATOM 355 CB TRP X 131 -2.375 -7.852 8.018 1.00 0.00 C ATOM 356 CG TRP X 131 -3.546 -8.338 8.854 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.613 -9.468 9.622 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.834 -7.712 8.979 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.851 -9.590 10.194 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.624 -8.527 9.819 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.397 -6.547 8.465 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.943 -8.214 10.134 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.704 -6.228 8.780 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.469 -7.065 9.606 1.00 0.00 C ATOM 0 H TRP X 131 -1.550 -10.228 6.947 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.440 -8.107 6.106 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.436 -8.187 8.459 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.351 -6.762 8.007 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.801 -10.167 9.758 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.149 -10.352 10.803 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.817 -5.898 7.825 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.532 -8.855 10.773 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.142 -5.323 8.385 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.491 -6.798 9.830 1.00 0.00 H new ATOM 375 N CYS X 132 -1.803 -6.857 4.814 1.00 0.00 N ATOM 376 CA CYS X 132 -0.851 -6.169 3.943 1.00 0.00 C ATOM 377 C CYS X 132 -0.229 -5.147 4.890 1.00 0.00 C ATOM 378 O CYS X 132 -0.890 -4.163 5.191 1.00 0.00 O ATOM 379 CB CYS X 132 -1.613 -5.490 2.797 1.00 0.00 C ATOM 380 SG CYS X 132 -0.627 -4.521 1.634 1.00 0.00 S ATOM 0 H CYS X 132 -2.772 -6.566 4.684 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.108 -6.813 3.472 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.142 -6.260 2.236 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.369 -4.836 3.231 1.00 0.00 H new ATOM 0 HG CYS X 132 -1.269 -3.435 1.321 1.00 0.00 H new ATOM 385 N ASP X 133 1.008 -5.349 5.337 1.00 0.00 N ATOM 386 CA ASP X 133 1.642 -4.423 6.310 1.00 0.00 C ATOM 387 C ASP X 133 1.528 -2.995 5.812 1.00 0.00 C ATOM 388 O ASP X 133 1.268 -2.062 6.561 1.00 0.00 O ATOM 389 CB ASP X 133 3.125 -4.735 6.453 1.00 0.00 C ATOM 390 CG ASP X 133 3.395 -6.163 6.901 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.532 -6.739 7.589 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.518 -6.641 6.608 1.00 0.00 O ATOM 0 H ASP X 133 1.597 -6.132 5.053 1.00 0.00 H new ATOM 0 HA ASP X 133 1.134 -4.545 7.267 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.620 -4.561 5.498 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.567 -4.045 7.172 1.00 0.00 H new ATOM 397 N LEU X 134 1.721 -2.865 4.514 1.00 0.00 N ATOM 398 CA LEU X 134 1.628 -1.606 3.808 1.00 0.00 C ATOM 399 C LEU X 134 0.255 -0.924 3.968 1.00 0.00 C ATOM 400 O LEU X 134 0.175 0.254 4.304 1.00 0.00 O ATOM 401 CB LEU X 134 1.905 -1.915 2.338 1.00 0.00 C ATOM 402 CG LEU X 134 1.412 -0.936 1.282 1.00 0.00 C ATOM 403 CD1 LEU X 134 2.046 0.425 1.412 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.731 -1.527 -0.058 1.00 0.00 C ATOM 0 H LEU X 134 1.952 -3.652 3.908 1.00 0.00 H new ATOM 0 HA LEU X 134 2.349 -0.901 4.222 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.984 -2.015 2.218 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.468 -2.889 2.116 1.00 0.00 H new ATOM 0 HG LEU X 134 0.340 -0.786 1.410 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.658 1.083 0.634 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.812 0.843 2.391 1.00 0.00 H new ATOM 0 HD13 LEU X 134 3.127 0.335 1.305 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.392 -0.852 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.808 -1.672 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.226 -2.487 -0.162 1.00 0.00 H new ATOM 416 N CYS X 135 -0.815 -1.660 3.693 1.00 0.00 N ATOM 417 CA CYS X 135 -2.168 -1.103 3.781 1.00 0.00 C ATOM 418 C CYS X 135 -2.804 -1.112 5.174 1.00 0.00 C ATOM 419 O CYS X 135 -3.670 -0.297 5.495 1.00 0.00 O ATOM 420 CB CYS X 135 -3.091 -1.898 2.845 1.00 0.00 C ATOM 421 SG CYS X 135 -2.712 -1.687 1.136 1.00 0.00 S ATOM 0 H CYS X 135 -0.778 -2.639 3.408 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.060 -0.055 3.502 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.024 -2.957 3.096 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.123 -1.593 3.020 1.00 0.00 H new ATOM 0 HG CYS X 135 -3.548 -2.376 0.418 1.00 0.00 H new ATOM 426 N GLY X 136 -2.421 -2.092 5.971 1.00 0.00 N ATOM 427 CA GLY X 136 -2.994 -2.262 7.294 1.00 0.00 C ATOM 428 C GLY X 136 -4.292 -3.029 7.106 1.00 0.00 C ATOM 429 O GLY X 136 -5.036 -3.294 8.049 1.00 0.00 O ATOM 0 H GLY X 136 -1.714 -2.784 5.725 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.311 -2.808 7.945 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.179 -1.296 7.764 1.00 0.00 H new ATOM 433 N ARG X 137 -4.571 -3.354 5.846 1.00 0.00 N ATOM 434 CA ARG X 137 -5.763 -4.076 5.430 1.00 0.00 C ATOM 435 C ARG X 137 -5.596 -5.540 5.107 1.00 0.00 C ATOM 436 O ARG X 137 -4.576 -5.990 4.596 1.00 0.00 O ATOM 437 CB ARG X 137 -6.332 -3.386 4.192 1.00 0.00 C ATOM 438 CG ARG X 137 -6.780 -1.948 4.425 1.00 0.00 C ATOM 439 CD ARG X 137 -7.954 -1.938 5.358 1.00 0.00 C ATOM 440 NE ARG X 137 -7.573 -2.064 6.764 1.00 0.00 N ATOM 441 CZ ARG X 137 -8.414 -2.352 7.736 1.00 0.00 C ATOM 442 NH1 ARG X 137 -9.678 -2.543 7.480 1.00 0.00 N ATOM 443 NH2 ARG X 137 -7.977 -2.456 8.961 1.00 0.00 N ATOM 0 H ARG X 137 -3.956 -3.115 5.068 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.420 -4.050 6.300 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -5.577 -3.396 3.406 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.181 -3.964 3.826 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -5.962 -1.364 4.846 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.050 -1.481 3.478 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.511 -1.011 5.221 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.626 -2.755 5.095 1.00 0.00 H new ATOM 0 HE ARG X 137 -6.593 -1.920 7.008 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -10.021 -2.470 6.522 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -10.324 -2.766 8.237 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -6.987 -2.314 9.163 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -8.625 -2.679 9.716 1.00 0.00 H new ATOM 457 N GLU X 138 -6.651 -6.259 5.424 1.00 0.00 N ATOM 458 CA GLU X 138 -6.778 -7.685 5.209 1.00 0.00 C ATOM 459 C GLU X 138 -6.475 -8.141 3.770 1.00 0.00 C ATOM 460 O GLU X 138 -6.982 -7.592 2.790 1.00 0.00 O ATOM 461 CB GLU X 138 -8.188 -8.107 5.667 1.00 0.00 C ATOM 462 CG GLU X 138 -9.377 -7.390 4.948 1.00 0.00 C ATOM 463 CD GLU X 138 -9.693 -5.976 5.506 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.052 -5.558 6.501 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.500 -5.279 4.861 1.00 0.00 O ATOM 0 H GLU X 138 -7.479 -5.849 5.857 1.00 0.00 H new ATOM 0 HA GLU X 138 -6.014 -8.188 5.802 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.292 -9.182 5.518 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -8.272 -7.924 6.738 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.149 -7.307 3.885 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -10.268 -8.011 5.035 1.00 0.00 H new ATOM 472 N VAL X 139 -5.632 -9.155 3.650 1.00 0.00 N ATOM 473 CA VAL X 139 -5.256 -9.706 2.347 1.00 0.00 C ATOM 474 C VAL X 139 -6.047 -10.970 2.000 1.00 0.00 C ATOM 475 O VAL X 139 -5.850 -12.030 2.579 1.00 0.00 O ATOM 476 CB VAL X 139 -3.727 -10.013 2.250 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.935 -8.741 2.251 1.00 0.00 C ATOM 478 CG2 VAL X 139 -3.241 -10.868 3.390 1.00 0.00 C ATOM 0 H VAL X 139 -5.190 -9.620 4.443 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.503 -8.929 1.623 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.582 -10.557 1.316 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.872 -8.974 2.183 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.228 -8.129 1.398 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -3.128 -8.193 3.173 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -2.173 -11.053 3.276 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.422 -10.353 4.334 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.776 -11.818 3.386 1.00 0.00 H new ATOM 488 N LEU X 140 -6.971 -10.858 1.057 1.00 0.00 N ATOM 489 CA LEU X 140 -7.759 -12.026 0.650 1.00 0.00 C ATOM 490 C LEU X 140 -6.805 -13.102 0.101 1.00 0.00 C ATOM 491 O LEU X 140 -7.017 -14.298 0.275 1.00 0.00 O ATOM 492 CB LEU X 140 -8.843 -11.660 -0.386 1.00 0.00 C ATOM 493 CG LEU X 140 -8.486 -11.088 -1.774 1.00 0.00 C ATOM 494 CD1 LEU X 140 -9.784 -10.791 -2.482 1.00 0.00 C ATOM 495 CD2 LEU X 140 -7.660 -9.806 -1.757 1.00 0.00 C ATOM 0 H LEU X 140 -7.195 -9.993 0.565 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.287 -12.414 1.521 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.430 -12.562 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.503 -10.937 0.092 1.00 0.00 H new ATOM 0 HG LEU X 140 -7.868 -11.837 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -9.574 -10.383 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.362 -11.710 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.356 -10.065 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -7.463 -9.487 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.211 -9.025 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -6.715 -9.989 -1.245 1.00 0.00 H new ATOM 507 N ARG X 141 -5.747 -12.654 -0.567 1.00 0.00 N ATOM 508 CA ARG X 141 -4.734 -13.553 -1.127 1.00 0.00 C ATOM 509 C ARG X 141 -3.561 -13.727 -0.179 1.00 0.00 C ATOM 510 O ARG X 141 -3.433 -13.018 0.798 1.00 0.00 O ATOM 511 CB ARG X 141 -4.199 -13.017 -2.461 1.00 0.00 C ATOM 512 CG ARG X 141 -5.175 -13.120 -3.627 1.00 0.00 C ATOM 513 CD ARG X 141 -5.445 -14.597 -3.977 1.00 0.00 C ATOM 514 NE ARG X 141 -4.216 -15.333 -4.299 1.00 0.00 N ATOM 515 CZ ARG X 141 -3.637 -15.364 -5.485 1.00 0.00 C ATOM 516 NH1 ARG X 141 -4.151 -14.721 -6.499 1.00 0.00 N ATOM 517 NH2 ARG X 141 -2.537 -16.048 -5.644 1.00 0.00 N ATOM 0 H ARG X 141 -5.565 -11.665 -0.737 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.222 -14.515 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -3.919 -11.972 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.290 -13.561 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.111 -12.624 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -4.768 -12.603 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -5.945 -15.080 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.127 -14.647 -4.826 1.00 0.00 H new ATOM 0 HE ARG X 141 -3.775 -15.862 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -5.011 -14.186 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -3.692 -14.754 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -2.132 -16.553 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -2.082 -16.078 -6.557 1.00 0.00 H new ATOM 531 N GLN X 142 -2.695 -14.671 -0.500 1.00 0.00 N ATOM 532 CA GLN X 142 -1.505 -14.942 0.273 1.00 0.00 C ATOM 533 C GLN X 142 -0.627 -13.708 0.125 1.00 0.00 C ATOM 534 O GLN X 142 -0.103 -13.451 -0.955 1.00 0.00 O ATOM 535 CB GLN X 142 -0.735 -16.149 -0.283 1.00 0.00 C ATOM 536 CG GLN X 142 -1.480 -17.481 -0.305 1.00 0.00 C ATOM 537 CD GLN X 142 -2.237 -17.734 -1.615 1.00 0.00 C ATOM 538 OE1 GLN X 142 -2.879 -16.849 -2.187 1.00 0.00 O ATOM 539 NE2 GLN X 142 -2.151 -18.946 -2.097 1.00 0.00 N ATOM 0 H GLN X 142 -2.803 -15.276 -1.314 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.770 -15.163 1.307 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -0.424 -15.915 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN X 142 0.173 -16.276 0.307 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -0.768 -18.290 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -2.186 -17.508 0.525 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.612 -19.655 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -2.623 -19.182 -2.970 1.00 0.00 H new ATOM 548 N ALA X 143 -0.487 -12.932 1.181 1.00 0.00 N ATOM 549 CA ALA X 143 0.343 -11.741 1.133 1.00 0.00 C ATOM 550 C ALA X 143 1.762 -12.102 0.670 1.00 0.00 C ATOM 551 O ALA X 143 2.343 -13.107 1.094 1.00 0.00 O ATOM 552 CB ALA X 143 0.341 -11.079 2.431 1.00 0.00 C ATOM 0 H ALA X 143 -0.935 -13.102 2.081 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.067 -11.040 0.406 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.966 -10.187 2.386 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.678 -10.795 2.693 1.00 0.00 H new ATOM 0 HB3 ALA X 143 0.734 -11.759 3.187 1.00 0.00 H new ATOM 558 N LEU X 144 2.288 -11.309 -0.244 1.00 0.00 N ATOM 559 CA LEU X 144 3.608 -11.551 -0.805 1.00 0.00 C ATOM 560 C LEU X 144 4.678 -10.822 0.024 1.00 0.00 C ATOM 561 O LEU X 144 4.665 -9.607 0.138 1.00 0.00 O ATOM 562 CB LEU X 144 3.593 -11.128 -2.258 1.00 0.00 C ATOM 563 CG LEU X 144 2.526 -11.774 -3.145 1.00 0.00 C ATOM 564 CD1 LEU X 144 2.744 -11.324 -4.545 1.00 0.00 C ATOM 565 CD2 LEU X 144 2.598 -13.247 -3.116 1.00 0.00 C ATOM 0 H LEU X 144 1.818 -10.484 -0.618 1.00 0.00 H new ATOM 0 HA LEU X 144 3.863 -12.610 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.461 -10.047 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.571 -11.346 -2.687 1.00 0.00 H new ATOM 0 HG LEU X 144 1.548 -11.474 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.992 -11.774 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.663 -10.238 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU X 144 3.737 -11.629 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU X 144 1.822 -13.662 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU X 144 3.576 -13.571 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU X 144 2.449 -13.599 -2.095 1.00 0.00 H new ATOM 577 N ARG X 145 5.584 -11.598 0.610 1.00 0.00 N ATOM 578 CA ARG X 145 6.650 -11.100 1.516 1.00 0.00 C ATOM 579 C ARG X 145 8.010 -10.789 0.956 1.00 0.00 C ATOM 580 O ARG X 145 8.777 -11.726 0.731 1.00 0.00 O ATOM 581 CB ARG X 145 7.000 -12.199 2.545 1.00 0.00 C ATOM 582 CG ARG X 145 5.938 -12.642 3.510 1.00 0.00 C ATOM 583 CD ARG X 145 6.428 -13.850 4.280 1.00 0.00 C ATOM 584 NE ARG X 145 6.526 -15.017 3.404 1.00 0.00 N ATOM 585 CZ ARG X 145 6.971 -16.197 3.784 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.374 -16.379 5.013 1.00 0.00 N ATOM 587 NH2 ARG X 145 7.012 -17.186 2.936 1.00 0.00 N ATOM 0 H ARG X 145 5.611 -12.609 0.476 1.00 0.00 H new ATOM 0 HA ARG X 145 6.194 -10.174 1.866 1.00 0.00 H new ATOM 0 HB2 ARG X 145 7.332 -13.077 1.992 1.00 0.00 H new ATOM 0 HB3 ARG X 145 7.852 -11.848 3.128 1.00 0.00 H new ATOM 0 HG2 ARG X 145 5.696 -11.832 4.198 1.00 0.00 H new ATOM 0 HG3 ARG X 145 5.022 -12.887 2.972 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.402 -13.636 4.720 1.00 0.00 H new ATOM 0 HD3 ARG X 145 5.746 -14.063 5.103 1.00 0.00 H new ATOM 0 HE ARG X 145 6.230 -14.910 2.434 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.344 -15.607 5.679 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.718 -17.293 5.307 1.00 0.00 H new ATOM 0 HH21 ARG X 145 6.699 -17.047 1.975 1.00 0.00 H new ATOM 0 HH22 ARG X 145 7.357 -18.099 3.233 1.00 0.00 H new ATOM 601 N CYS X 146 8.396 -9.545 0.739 1.00 0.00 N ATOM 602 CA CYS X 146 9.766 -9.358 0.291 1.00 0.00 C ATOM 603 C CYS X 146 10.601 -9.424 1.581 1.00 0.00 C ATOM 604 O CYS X 146 10.933 -8.415 2.203 1.00 0.00 O ATOM 605 CB CYS X 146 9.991 -8.086 -0.461 1.00 0.00 C ATOM 606 SG CYS X 146 11.791 -7.843 -0.797 1.00 0.00 S ATOM 0 H CYS X 146 7.830 -8.704 0.854 1.00 0.00 H new ATOM 0 HA CYS X 146 10.046 -10.123 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.440 -8.110 -1.401 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.605 -7.244 0.114 1.00 0.00 H new ATOM 0 HG CYS X 146 12.222 -6.815 -0.128 1.00 0.00 H new ATOM 611 N ALA X 147 10.880 -10.650 1.981 1.00 0.00 N ATOM 612 CA ALA X 147 11.622 -10.952 3.199 1.00 0.00 C ATOM 613 C ALA X 147 13.001 -10.308 3.199 1.00 0.00 C ATOM 614 O ALA X 147 13.644 -10.198 4.234 1.00 0.00 O ATOM 615 CB ALA X 147 11.746 -12.459 3.356 1.00 0.00 C ATOM 0 H ALA X 147 10.594 -11.481 1.463 1.00 0.00 H new ATOM 0 HA ALA X 147 11.071 -10.536 4.042 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.301 -12.686 4.267 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.752 -12.901 3.417 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.275 -12.872 2.497 1.00 0.00 H new ATOM 621 N ASN X 148 13.463 -9.909 2.026 1.00 0.00 N ATOM 622 CA ASN X 148 14.759 -9.272 1.905 1.00 0.00 C ATOM 623 C ASN X 148 14.918 -7.946 2.585 1.00 0.00 C ATOM 624 O ASN X 148 16.038 -7.586 2.938 1.00 0.00 O ATOM 625 CB ASN X 148 15.173 -9.098 0.446 1.00 0.00 C ATOM 626 CG ASN X 148 15.441 -10.391 -0.252 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.340 -11.461 0.321 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.777 -10.295 -1.513 1.00 0.00 N ATOM 0 H ASN X 148 12.959 -10.016 1.146 1.00 0.00 H new ATOM 0 HA ASN X 148 15.408 -9.973 2.430 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.387 -8.563 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.068 -8.477 0.401 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.966 -11.138 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.850 -9.378 -1.953 1.00 0.00 H new ATOM 635 N CYS X 149 13.834 -7.217 2.770 1.00 0.00 N ATOM 636 CA CYS X 149 13.946 -5.915 3.370 1.00 0.00 C ATOM 637 C CYS X 149 12.669 -5.349 3.977 1.00 0.00 C ATOM 638 O CYS X 149 12.649 -4.852 5.100 1.00 0.00 O ATOM 639 CB CYS X 149 14.441 -4.990 2.231 1.00 0.00 C ATOM 640 SG CYS X 149 13.430 -5.058 0.739 1.00 0.00 S ATOM 0 H CYS X 149 12.888 -7.502 2.517 1.00 0.00 H new ATOM 0 HA CYS X 149 14.621 -5.987 4.223 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.464 -3.963 2.595 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.465 -5.261 1.976 1.00 0.00 H new ATOM 0 HG CYS X 149 14.094 -5.650 -0.209 1.00 0.00 H new ATOM 645 N LYS X 150 11.640 -5.356 3.164 1.00 0.00 N ATOM 646 CA LYS X 150 10.354 -4.742 3.526 1.00 0.00 C ATOM 647 C LYS X 150 9.226 -5.563 4.218 1.00 0.00 C ATOM 648 O LYS X 150 9.396 -6.091 5.306 1.00 0.00 O ATOM 649 CB LYS X 150 9.835 -3.996 2.318 1.00 0.00 C ATOM 650 CG LYS X 150 10.789 -2.879 1.914 1.00 0.00 C ATOM 651 CD LYS X 150 10.221 -2.205 0.734 1.00 0.00 C ATOM 652 CE LYS X 150 11.128 -1.107 0.161 1.00 0.00 C ATOM 653 NZ LYS X 150 11.428 0.075 1.022 1.00 0.00 N ATOM 0 H LYS X 150 11.654 -5.780 2.236 1.00 0.00 H new ATOM 0 HA LYS X 150 10.625 -4.108 4.370 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.707 -4.688 1.486 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.853 -3.578 2.539 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.917 -2.171 2.733 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.775 -3.283 1.685 1.00 0.00 H new ATOM 0 HD2 LYS X 150 10.028 -2.947 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS X 150 9.260 -1.768 1.003 1.00 0.00 H new ATOM 0 HE2 LYS X 150 12.076 -1.568 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.671 -0.742 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 11.763 0.861 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 10.566 0.365 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.165 -0.176 1.712 1.00 0.00 H new ATOM 667 N PHE X 151 8.059 -5.601 3.576 1.00 0.00 N ATOM 668 CA PHE X 151 6.854 -6.244 4.096 1.00 0.00 C ATOM 669 C PHE X 151 6.145 -7.320 3.288 1.00 0.00 C ATOM 670 O PHE X 151 6.604 -7.728 2.212 1.00 0.00 O ATOM 671 CB PHE X 151 5.858 -5.087 4.212 1.00 0.00 C ATOM 672 CG PHE X 151 5.812 -4.178 3.007 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.259 -4.602 1.807 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.291 -2.881 3.091 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.203 -3.751 0.717 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.232 -2.034 2.002 1.00 0.00 C ATOM 677 CZ PHE X 151 5.684 -2.471 0.818 1.00 0.00 C ATOM 0 H PHE X 151 7.923 -5.176 2.659 1.00 0.00 H new ATOM 0 HA PHE X 151 7.175 -6.781 4.988 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.862 -5.497 4.381 1.00 0.00 H new ATOM 0 HB3 PHE X 151 6.111 -4.493 5.090 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.869 -5.605 1.723 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.716 -2.528 4.019 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.780 -4.096 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.616 -1.028 2.080 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.633 -1.806 -0.031 1.00 0.00 H new ATOM 687 N THR X 152 4.982 -7.730 3.784 1.00 0.00 N ATOM 688 CA THR X 152 4.145 -8.718 3.128 1.00 0.00 C ATOM 689 C THR X 152 2.856 -8.012 2.646 1.00 0.00 C ATOM 690 O THR X 152 1.956 -7.725 3.410 1.00 0.00 O ATOM 691 CB THR X 152 3.883 -9.911 4.086 1.00 0.00 C ATOM 692 OG1 THR X 152 3.227 -10.964 3.384 1.00 0.00 O ATOM 693 CG2 THR X 152 3.051 -9.567 5.287 1.00 0.00 C ATOM 0 H THR X 152 4.594 -7.380 4.660 1.00 0.00 H new ATOM 0 HA THR X 152 4.637 -9.144 2.253 1.00 0.00 H new ATOM 0 HB THR X 152 4.867 -10.212 4.446 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.612 -11.049 2.487 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.916 -10.456 5.903 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.554 -8.795 5.869 1.00 0.00 H new ATOM 0 HG23 THR X 152 2.078 -9.199 4.962 1.00 0.00 H new ATOM 701 N CYS X 153 2.813 -7.666 1.384 1.00 0.00 N ATOM 702 CA CYS X 153 1.691 -6.908 0.816 1.00 0.00 C ATOM 703 C CYS X 153 0.695 -7.650 -0.088 1.00 0.00 C ATOM 704 O CYS X 153 0.963 -8.776 -0.527 1.00 0.00 O ATOM 705 CB CYS X 153 2.298 -5.830 -0.062 1.00 0.00 C ATOM 706 SG CYS X 153 3.245 -6.494 -1.439 1.00 0.00 S ATOM 0 H CYS X 153 3.545 -7.894 0.711 1.00 0.00 H new ATOM 0 HA CYS X 153 1.117 -6.587 1.685 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.502 -5.194 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.945 -5.197 0.545 1.00 0.00 H new ATOM 0 HG CYS X 153 4.501 -6.199 -1.284 1.00 0.00 H new ATOM 712 N HIS X 154 -0.427 -7.015 -0.416 1.00 0.00 N ATOM 713 CA HIS X 154 -1.367 -7.632 -1.371 1.00 0.00 C ATOM 714 C HIS X 154 -0.562 -7.758 -2.679 1.00 0.00 C ATOM 715 O HIS X 154 0.245 -6.867 -3.031 1.00 0.00 O ATOM 716 CB HIS X 154 -2.626 -6.803 -1.751 1.00 0.00 C ATOM 717 CG HIS X 154 -3.557 -6.468 -0.624 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.349 -5.409 0.260 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.747 -7.061 -0.267 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.412 -5.424 1.118 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.249 -6.403 0.815 1.00 0.00 N ATOM 0 H HIS X 154 -0.709 -6.104 -0.054 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.734 -8.545 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.298 -5.872 -2.214 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.185 -7.355 -2.506 1.00 0.00 H new ATOM 0 HD1 HIS X 154 -2.564 -4.757 0.265 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.205 -7.905 -0.761 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.551 -4.730 1.934 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.116 -6.625 1.304 1.00 0.00 H new ATOM 729 N SER X 155 -0.788 -8.829 -3.426 1.00 0.00 N ATOM 730 CA SER X 155 -0.084 -9.011 -4.694 1.00 0.00 C ATOM 731 C SER X 155 -0.325 -7.773 -5.552 1.00 0.00 C ATOM 732 O SER X 155 0.581 -7.254 -6.195 1.00 0.00 O ATOM 733 CB SER X 155 -0.571 -10.283 -5.396 1.00 0.00 C ATOM 734 OG SER X 155 -1.969 -10.241 -5.640 1.00 0.00 O ATOM 0 H SER X 155 -1.441 -9.575 -3.185 1.00 0.00 H new ATOM 0 HA SER X 155 0.986 -9.129 -4.523 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.040 -10.405 -6.340 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.334 -11.152 -4.782 1.00 0.00 H new ATOM 0 HG SER X 155 -2.247 -11.066 -6.090 1.00 0.00 H new ATOM 740 N GLU X 156 -1.564 -7.314 -5.533 1.00 0.00 N ATOM 741 CA GLU X 156 -1.994 -6.128 -6.258 1.00 0.00 C ATOM 742 C GLU X 156 -1.246 -4.875 -5.767 1.00 0.00 C ATOM 743 O GLU X 156 -0.800 -4.055 -6.571 1.00 0.00 O ATOM 744 CB GLU X 156 -3.504 -5.994 -6.071 1.00 0.00 C ATOM 745 CG GLU X 156 -4.142 -4.777 -6.709 1.00 0.00 C ATOM 746 CD GLU X 156 -5.652 -4.770 -6.499 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.147 -5.761 -5.906 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.305 -3.848 -7.024 1.00 0.00 O ATOM 0 H GLU X 156 -2.313 -7.761 -5.005 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.760 -6.226 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.982 -6.886 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.719 -5.975 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -3.709 -3.872 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.921 -4.765 -7.776 1.00 0.00 H new ATOM 755 N CYS X 157 -1.079 -4.754 -4.450 1.00 0.00 N ATOM 756 CA CYS X 157 -0.375 -3.627 -3.849 1.00 0.00 C ATOM 757 C CYS X 157 1.076 -3.537 -4.290 1.00 0.00 C ATOM 758 O CYS X 157 1.664 -2.462 -4.235 1.00 0.00 O ATOM 759 CB CYS X 157 -0.468 -3.675 -2.323 1.00 0.00 C ATOM 760 SG CYS X 157 -2.109 -3.356 -1.750 1.00 0.00 S ATOM 0 H CYS X 157 -1.428 -5.433 -3.774 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.873 -2.726 -4.206 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.145 -4.655 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.215 -2.941 -1.895 1.00 0.00 H new ATOM 0 HG CYS X 157 -2.059 -2.633 -0.671 1.00 0.00 H new ATOM 765 N ARG X 158 1.659 -4.646 -4.740 1.00 0.00 N ATOM 766 CA ARG X 158 3.061 -4.581 -5.215 1.00 0.00 C ATOM 767 C ARG X 158 3.227 -3.515 -6.302 1.00 0.00 C ATOM 768 O ARG X 158 4.297 -2.964 -6.464 1.00 0.00 O ATOM 769 CB ARG X 158 3.549 -5.887 -5.821 1.00 0.00 C ATOM 770 CG ARG X 158 3.633 -7.048 -4.878 1.00 0.00 C ATOM 771 CD ARG X 158 4.217 -8.223 -5.619 1.00 0.00 C ATOM 772 NE ARG X 158 3.336 -8.659 -6.699 1.00 0.00 N ATOM 773 CZ ARG X 158 3.627 -9.642 -7.530 1.00 0.00 C ATOM 774 NH1 ARG X 158 4.751 -10.294 -7.406 1.00 0.00 N ATOM 775 NH2 ARG X 158 2.791 -9.965 -8.478 1.00 0.00 N ATOM 0 H ARG X 158 1.218 -5.564 -4.790 1.00 0.00 H new ATOM 0 HA ARG X 158 3.645 -4.347 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG X 158 2.884 -6.156 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG X 158 4.536 -5.720 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG X 158 4.255 -6.795 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG X 158 2.644 -7.296 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.190 -7.951 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.382 -9.048 -4.926 1.00 0.00 H new ATOM 0 HE ARG X 158 2.445 -8.176 -6.818 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.407 -10.044 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG X 158 4.974 -11.053 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG X 158 1.912 -9.458 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG X 158 3.017 -10.725 -9.120 1.00 0.00 H new ATOM 789 N SER X 159 2.168 -3.243 -7.052 1.00 0.00 N ATOM 790 CA SER X 159 2.215 -2.230 -8.113 1.00 0.00 C ATOM 791 C SER X 159 2.668 -0.862 -7.589 1.00 0.00 C ATOM 792 O SER X 159 3.419 -0.149 -8.247 1.00 0.00 O ATOM 793 CB SER X 159 0.841 -2.092 -8.775 1.00 0.00 C ATOM 794 OG SER X 159 -0.147 -1.698 -7.835 1.00 0.00 O ATOM 0 H SER X 159 1.264 -3.705 -6.951 1.00 0.00 H new ATOM 0 HA SER X 159 2.949 -2.568 -8.845 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.894 -1.358 -9.579 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.556 -3.041 -9.229 1.00 0.00 H new ATOM 0 HG SER X 159 -0.367 -2.456 -7.255 1.00 0.00 H new ATOM 800 N LEU X 160 2.191 -0.506 -6.405 1.00 0.00 N ATOM 801 CA LEU X 160 2.503 0.768 -5.753 1.00 0.00 C ATOM 802 C LEU X 160 3.957 0.903 -5.282 1.00 0.00 C ATOM 803 O LEU X 160 4.340 1.938 -4.743 1.00 0.00 O ATOM 804 CB LEU X 160 1.597 0.917 -4.521 1.00 0.00 C ATOM 805 CG LEU X 160 0.085 0.855 -4.769 1.00 0.00 C ATOM 806 CD1 LEU X 160 -0.629 1.108 -3.466 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.356 1.878 -5.792 1.00 0.00 C ATOM 0 H LEU X 160 1.567 -1.099 -5.858 1.00 0.00 H new ATOM 0 HA LEU X 160 2.339 1.542 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.858 0.134 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU X 160 1.825 1.870 -4.044 1.00 0.00 H new ATOM 0 HG LEU X 160 -0.161 -0.132 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.706 1.067 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU X 160 -0.342 0.347 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU X 160 -0.356 2.093 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -1.433 1.803 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU X 160 -0.107 2.878 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.154 1.691 -6.737 1.00 0.00 H new ATOM 819 N ILE X 161 4.765 -0.131 -5.467 1.00 0.00 N ATOM 820 CA ILE X 161 6.158 -0.099 -5.025 1.00 0.00 C ATOM 821 C ILE X 161 7.087 -0.652 -6.123 1.00 0.00 C ATOM 822 O ILE X 161 7.096 -1.841 -6.431 1.00 0.00 O ATOM 823 CB ILE X 161 6.301 -0.807 -3.638 1.00 0.00 C ATOM 824 CG1 ILE X 161 7.776 -1.018 -3.293 1.00 0.00 C ATOM 825 CG2 ILE X 161 5.502 -2.145 -3.603 1.00 0.00 C ATOM 826 CD1 ILE X 161 7.987 -1.679 -1.970 1.00 0.00 C ATOM 0 H ILE X 161 4.484 -1.002 -5.918 1.00 0.00 H new ATOM 0 HA ILE X 161 6.478 0.931 -4.867 1.00 0.00 H new ATOM 0 HB ILE X 161 5.871 -0.158 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE X 161 8.241 -1.623 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE X 161 8.283 -0.053 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE X 161 5.621 -2.614 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE X 161 4.446 -1.943 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE X 161 5.880 -2.815 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE X 161 9.055 -1.798 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE X 161 7.552 -1.064 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.508 -2.658 -1.972 1.00 0.00 H new ATOM 838 N GLN X 162 7.844 0.261 -6.724 1.00 0.00 N ATOM 839 CA GLN X 162 8.780 -0.016 -7.835 1.00 0.00 C ATOM 840 C GLN X 162 10.012 -0.931 -7.588 1.00 0.00 C ATOM 841 O GLN X 162 11.101 -0.648 -8.058 1.00 0.00 O ATOM 842 CB GLN X 162 9.238 1.327 -8.422 1.00 0.00 C ATOM 843 CG GLN X 162 8.097 2.112 -9.069 1.00 0.00 C ATOM 844 CD GLN X 162 8.562 3.425 -9.654 1.00 0.00 C ATOM 845 OE1 GLN X 162 9.098 4.271 -8.961 1.00 0.00 O ATOM 846 NE2 GLN X 162 8.345 3.605 -10.933 1.00 0.00 N ATOM 0 H GLN X 162 7.831 1.244 -6.452 1.00 0.00 H new ATOM 0 HA GLN X 162 8.189 -0.627 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN X 162 9.685 1.930 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN X 162 10.016 1.147 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.643 1.508 -9.854 1.00 0.00 H new ATOM 0 HG3 GLN X 162 7.323 2.302 -8.326 1.00 0.00 H new ATOM 0 HE21 GLN X 162 7.893 2.873 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN X 162 8.628 4.477 -11.381 1.00 0.00 H new ATOM 855 N LEU X 163 9.804 -2.011 -6.847 1.00 0.00 N ATOM 856 CA LEU X 163 10.807 -3.055 -6.526 1.00 0.00 C ATOM 857 C LEU X 163 12.112 -2.674 -5.787 1.00 0.00 C ATOM 858 O LEU X 163 13.057 -3.455 -5.798 1.00 0.00 O ATOM 859 CB LEU X 163 11.098 -3.959 -7.757 1.00 0.00 C ATOM 860 CG LEU X 163 11.767 -3.483 -9.064 1.00 0.00 C ATOM 861 CD1 LEU X 163 13.183 -2.964 -8.893 1.00 0.00 C ATOM 862 CD2 LEU X 163 11.803 -4.661 -10.011 1.00 0.00 C ATOM 0 H LEU X 163 8.895 -2.206 -6.427 1.00 0.00 H new ATOM 0 HA LEU X 163 10.283 -3.601 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU X 163 11.712 -4.780 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU X 163 10.138 -4.385 -8.049 1.00 0.00 H new ATOM 0 HG LEU X 163 11.179 -2.645 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU X 163 13.575 -2.651 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.179 -2.114 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU X 163 13.813 -3.754 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU X 163 12.271 -4.360 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU X 163 12.378 -5.471 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU X 163 10.786 -5.002 -10.206 1.00 0.00 H new ATOM 874 N ASP X 164 12.151 -1.524 -5.122 1.00 0.00 N ATOM 875 CA ASP X 164 13.349 -1.083 -4.366 1.00 0.00 C ATOM 876 C ASP X 164 13.788 -1.982 -3.185 1.00 0.00 C ATOM 877 O ASP X 164 13.474 -1.715 -2.026 1.00 0.00 O ATOM 878 CB ASP X 164 13.114 0.353 -3.833 1.00 0.00 C ATOM 879 CG ASP X 164 11.951 0.448 -2.807 1.00 0.00 C ATOM 880 OD1 ASP X 164 10.958 -0.309 -2.954 1.00 0.00 O ATOM 881 OD2 ASP X 164 12.119 1.190 -1.807 1.00 0.00 O ATOM 0 H ASP X 164 11.370 -0.869 -5.083 1.00 0.00 H new ATOM 0 HA ASP X 164 14.164 -1.142 -5.087 1.00 0.00 H new ATOM 0 HB2 ASP X 164 14.031 0.714 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP X 164 12.902 1.014 -4.673 1.00 0.00 H new ATOM 886 N CYS X 165 14.597 -2.992 -3.463 1.00 0.00 N ATOM 887 CA CYS X 165 15.100 -3.882 -2.427 1.00 0.00 C ATOM 888 C CYS X 165 16.555 -3.432 -2.190 1.00 0.00 C ATOM 889 O CYS X 165 17.377 -3.443 -3.106 1.00 0.00 O ATOM 890 CB CYS X 165 14.960 -5.319 -2.960 1.00 0.00 C ATOM 891 SG CYS X 165 15.229 -6.662 -1.813 1.00 0.00 S ATOM 0 H CYS X 165 14.921 -3.217 -4.403 1.00 0.00 H new ATOM 0 HA CYS X 165 14.567 -3.850 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS X 165 13.957 -5.427 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.660 -5.439 -3.787 1.00 0.00 H new ATOM 0 HG CYS X 165 14.083 -7.140 -1.428 1.00 0.00 H new ATOM 896 N ARG X 166 16.834 -2.982 -0.973 1.00 0.00 N ATOM 897 CA ARG X 166 18.181 -2.484 -0.625 1.00 0.00 C ATOM 898 C ARG X 166 19.264 -3.567 -0.505 1.00 0.00 C ATOM 899 O ARG X 166 20.364 -3.181 -0.056 1.00 0.00 O ATOM 900 CB ARG X 166 18.125 -1.506 0.587 1.00 0.00 C ATOM 901 CG ARG X 166 17.624 -2.012 1.983 1.00 0.00 C ATOM 902 CD ARG X 166 18.686 -2.788 2.789 1.00 0.00 C ATOM 903 NE ARG X 166 18.888 -4.111 2.237 1.00 0.00 N ATOM 904 CZ ARG X 166 18.243 -5.190 2.614 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.378 -5.144 3.585 1.00 0.00 N ATOM 906 NH2 ARG X 166 18.465 -6.314 2.008 1.00 0.00 N ATOM 907 OXT ARG X 166 18.890 -4.757 -0.533 1.00 0.00 O ATOM 0 H ARG X 166 16.160 -2.947 -0.209 1.00 0.00 H new ATOM 0 HA ARG X 166 18.518 -1.908 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG X 166 19.130 -1.108 0.729 1.00 0.00 H new ATOM 0 HB3 ARG X 166 17.489 -0.669 0.299 1.00 0.00 H new ATOM 0 HG2 ARG X 166 17.292 -1.156 2.570 1.00 0.00 H new ATOM 0 HG3 ARG X 166 16.755 -2.653 1.835 1.00 0.00 H new ATOM 0 HD2 ARG X 166 19.627 -2.239 2.781 1.00 0.00 H new ATOM 0 HD3 ARG X 166 18.372 -2.868 3.830 1.00 0.00 H new ATOM 0 HE ARG X 166 19.585 -4.212 1.499 1.00 0.00 H new ATOM 0 HH11 ARG X 166 17.194 -4.262 4.063 1.00 0.00 H new ATOM 0 HH12 ARG X 166 16.884 -5.990 3.868 1.00 0.00 H new ATOM 0 HH21 ARG X 166 19.138 -6.357 1.243 1.00 0.00 H new ATOM 0 HH22 ARG X 166 17.967 -7.156 2.296 1.00 0.00 H new