USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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: A 106 MET CE :methyl 139:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.6) USER MOD Set 2.1: A 52 GLN : amide:sc= -2.41 K(o=-2.4,f=-0.72) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.43) USER MOD Single : A 16 GLN : amide:sc=-0.00127 X(o=-0.0013,f=-0.0013) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 152:sc= -0.123 (180deg=-0.772) USER MOD Single : A 42 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.94) USER MOD Single : A 45 SER OG : rot -109:sc= 1.06 USER MOD Single : A 47 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.42) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.513) USER MOD Single : A 58 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-1.8!) USER MOD Single : A 64 SER OG : rot -120:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.48) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -0.0614 K(o=-0.061,f=-0.65) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.23 USER MOD Single : A 89 ASN : amide:sc= -1.98 X(o=-2,f=-1.7!) USER MOD Single : A 104 CYS SG : rot 8:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.523 -1.993 6.396 1.00 0.00 N ATOM 135 CA LYS A 11 -9.036 -0.802 5.711 1.00 0.00 C ATOM 136 C LYS A 11 -8.453 -1.178 4.355 1.00 0.00 C ATOM 137 O LYS A 11 -9.009 -0.832 3.315 1.00 0.00 O ATOM 138 CB LYS A 11 -7.979 -0.096 6.561 1.00 0.00 C ATOM 139 CG LYS A 11 -8.441 0.207 7.977 1.00 0.00 C ATOM 140 CD LYS A 11 -7.404 -0.220 9.004 1.00 0.00 C ATOM 141 CE LYS A 11 -8.048 -0.539 10.344 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.095 -1.210 11.271 1.00 0.00 N ATOM 0 HA LYS A 11 -9.873 -0.121 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.085 -0.718 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.695 0.836 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.636 1.275 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.382 -0.308 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.867 -1.096 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.668 0.574 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.412 0.382 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.915 -1.181 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.572 -1.411 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.767 -2.101 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.280 -0.587 11.441 1.00 0.00 H new ATOM 155 N TRP A 12 -7.335 -1.899 4.386 1.00 0.00 N ATOM 156 CA TRP A 12 -6.664 -2.350 3.168 1.00 0.00 C ATOM 157 C TRP A 12 -7.695 -2.817 2.139 1.00 0.00 C ATOM 158 O TRP A 12 -8.647 -3.518 2.480 1.00 0.00 O ATOM 159 CB TRP A 12 -5.683 -3.493 3.475 1.00 0.00 C ATOM 160 CG TRP A 12 -4.884 -3.325 4.743 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.830 -2.228 5.558 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.015 -4.300 5.336 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.991 -2.465 6.620 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.477 -3.727 6.505 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.641 -5.602 4.991 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.587 -4.413 7.328 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.757 -6.281 5.808 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.239 -5.686 6.966 1.00 0.00 C ATOM 0 H TRP A 12 -6.871 -2.186 5.248 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.102 -1.510 2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.244 -4.426 3.538 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.991 -3.593 2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.369 -1.307 5.391 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.785 -1.807 7.372 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.036 -6.069 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.186 -3.956 8.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.461 -7.287 5.550 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.551 -6.243 7.585 1.00 0.00 H new ATOM 179 N ILE A 13 -7.518 -2.407 0.883 1.00 0.00 N ATOM 180 CA ILE A 13 -8.459 -2.774 -0.177 1.00 0.00 C ATOM 181 C ILE A 13 -7.758 -3.307 -1.428 1.00 0.00 C ATOM 182 O ILE A 13 -6.883 -2.653 -1.986 1.00 0.00 O ATOM 183 CB ILE A 13 -9.333 -1.570 -0.581 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.112 -0.394 0.386 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.795 -1.982 -0.624 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.382 0.319 0.811 1.00 0.00 C ATOM 0 H ILE A 13 -6.739 -1.825 0.575 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.080 -3.569 0.237 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.042 -1.238 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.602 -0.763 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.446 0.328 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.406 -1.126 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.926 -2.782 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.103 -2.335 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.132 1.133 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.884 0.722 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.043 -0.385 1.315 1.00 0.00 H new ATOM 198 N ASN A 14 -8.171 -4.494 -1.872 1.00 0.00 N ATOM 199 CA ASN A 14 -7.599 -5.115 -3.067 1.00 0.00 C ATOM 200 C ASN A 14 -8.560 -5.012 -4.248 1.00 0.00 C ATOM 201 O ASN A 14 -9.777 -4.955 -4.066 1.00 0.00 O ATOM 202 CB ASN A 14 -7.258 -6.582 -2.798 1.00 0.00 C ATOM 203 CG ASN A 14 -6.895 -7.333 -4.064 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.668 -8.154 -4.557 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.711 -7.055 -4.598 1.00 0.00 N ATOM 0 H ASN A 14 -8.901 -5.046 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.684 -4.579 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.426 -6.636 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.109 -7.069 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.412 -7.529 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.101 -6.367 -4.156 1.00 0.00 H new ATOM 212 N PHE A 15 -8.008 -4.985 -5.459 1.00 0.00 N ATOM 213 CA PHE A 15 -8.820 -4.883 -6.667 1.00 0.00 C ATOM 214 C PHE A 15 -8.442 -5.973 -7.670 1.00 0.00 C ATOM 215 O PHE A 15 -8.367 -7.149 -7.315 1.00 0.00 O ATOM 216 CB PHE A 15 -8.658 -3.496 -7.297 1.00 0.00 C ATOM 217 CG PHE A 15 -8.564 -2.386 -6.291 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.708 -1.762 -5.818 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.331 -1.966 -5.819 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.622 -0.739 -4.892 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.239 -0.945 -4.893 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.386 -0.331 -4.428 1.00 0.00 C ATOM 0 H PHE A 15 -7.003 -5.032 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.865 -5.024 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.761 -3.490 -7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.504 -3.305 -7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.676 -2.078 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.431 -2.442 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.520 -0.259 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.272 -0.627 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.317 0.467 -3.703 1.00 0.00 H new ATOM 232 N GLN A 16 -8.208 -5.579 -8.924 1.00 0.00 N ATOM 233 CA GLN A 16 -7.840 -6.527 -9.971 1.00 0.00 C ATOM 234 C GLN A 16 -6.704 -7.433 -9.509 1.00 0.00 C ATOM 235 O GLN A 16 -6.771 -8.654 -9.662 1.00 0.00 O ATOM 236 CB GLN A 16 -7.429 -5.782 -11.241 1.00 0.00 C ATOM 237 CG GLN A 16 -8.505 -4.851 -11.777 1.00 0.00 C ATOM 238 CD GLN A 16 -9.676 -5.602 -12.381 1.00 0.00 C ATOM 239 OE1 GLN A 16 -10.665 -5.881 -11.704 1.00 0.00 O ATOM 240 NE2 GLN A 16 -9.568 -5.933 -13.663 1.00 0.00 N ATOM 0 H GLN A 16 -8.268 -4.610 -9.236 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.710 -7.147 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.528 -5.203 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.173 -6.509 -12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.864 -4.213 -10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.070 -4.195 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.729 -5.681 -14.186 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.324 -6.439 -14.124 1.00 0.00 H new ATOM 249 N ARG A 17 -5.663 -6.830 -8.942 1.00 0.00 N ATOM 250 CA ARG A 17 -4.518 -7.588 -8.455 1.00 0.00 C ATOM 251 C ARG A 17 -3.645 -6.736 -7.541 1.00 0.00 C ATOM 252 O ARG A 17 -2.630 -7.204 -7.022 1.00 0.00 O ATOM 253 CB ARG A 17 -3.689 -8.120 -9.626 1.00 0.00 C ATOM 254 CG ARG A 17 -3.245 -7.038 -10.597 1.00 0.00 C ATOM 255 CD ARG A 17 -4.073 -7.060 -11.871 1.00 0.00 C ATOM 256 NE ARG A 17 -3.279 -7.444 -13.035 1.00 0.00 N ATOM 257 CZ ARG A 17 -3.493 -8.548 -13.743 1.00 0.00 C ATOM 258 NH1 ARG A 17 -4.474 -9.376 -13.407 1.00 0.00 N ATOM 259 NH2 ARG A 17 -2.726 -8.827 -14.788 1.00 0.00 N ATOM 0 H ARG A 17 -5.590 -5.821 -8.809 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.897 -8.432 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.808 -8.630 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.274 -8.864 -10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.334 -6.062 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.192 -7.178 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.902 -7.757 -11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.507 -6.074 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.517 -6.830 -13.321 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.066 -9.166 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.636 -10.223 -13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.970 -8.194 -15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.892 -9.675 -15.330 1.00 0.00 H new ATOM 273 N LYS A 18 -4.051 -5.490 -7.338 1.00 0.00 N ATOM 274 CA LYS A 18 -3.323 -4.578 -6.482 1.00 0.00 C ATOM 275 C LYS A 18 -4.159 -4.248 -5.257 1.00 0.00 C ATOM 276 O LYS A 18 -5.380 -4.369 -5.278 1.00 0.00 O ATOM 277 CB LYS A 18 -2.979 -3.297 -7.240 1.00 0.00 C ATOM 278 CG LYS A 18 -4.144 -2.331 -7.343 1.00 0.00 C ATOM 279 CD LYS A 18 -4.093 -1.530 -8.634 1.00 0.00 C ATOM 280 CE LYS A 18 -4.201 -0.038 -8.367 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.253 0.751 -9.629 1.00 0.00 N ATOM 0 H LYS A 18 -4.889 -5.090 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.395 -5.055 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.147 -2.800 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.641 -3.556 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.082 -2.884 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.130 -1.651 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.161 -1.741 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.905 -1.843 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.096 0.161 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.348 0.287 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.326 1.763 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.388 0.581 -10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.081 0.460 -10.186 1.00 0.00 H new ATOM 294 N CYS A 19 -3.497 -3.834 -4.196 1.00 0.00 N ATOM 295 CA CYS A 19 -4.186 -3.493 -2.965 1.00 0.00 C ATOM 296 C CYS A 19 -3.740 -2.136 -2.448 1.00 0.00 C ATOM 297 O CYS A 19 -2.694 -1.616 -2.836 1.00 0.00 O ATOM 298 CB CYS A 19 -3.944 -4.570 -1.901 1.00 0.00 C ATOM 299 SG CYS A 19 -4.898 -4.334 -0.363 1.00 0.00 S ATOM 0 H CYS A 19 -2.483 -3.725 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.253 -3.442 -3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.193 -5.544 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.882 -4.590 -1.656 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.625 -5.295 0.469 1.00 0.00 H new ATOM 304 N TYR A 20 -4.542 -1.584 -1.557 1.00 0.00 N ATOM 305 CA TYR A 20 -4.263 -0.301 -0.946 1.00 0.00 C ATOM 306 C TYR A 20 -4.272 -0.467 0.557 1.00 0.00 C ATOM 307 O TYR A 20 -4.917 -1.363 1.095 1.00 0.00 O ATOM 308 CB TYR A 20 -5.300 0.753 -1.361 1.00 0.00 C ATOM 309 CG TYR A 20 -4.994 1.449 -2.672 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.440 0.757 -3.743 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.261 2.803 -2.836 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.162 1.393 -4.937 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.986 3.446 -4.029 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.437 2.737 -5.076 1.00 0.00 C ATOM 315 OH TYR A 20 -4.162 3.374 -6.264 1.00 0.00 O ATOM 0 H TYR A 20 -5.409 -2.016 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.286 0.045 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.276 0.274 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.373 1.503 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.223 -0.296 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.690 3.362 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.731 0.840 -5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.200 4.499 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.416 4.318 -6.196 1.00 0.00 H new ATOM 325 N TYR A 21 -3.543 0.394 1.218 1.00 0.00 N ATOM 326 CA TYR A 21 -3.439 0.363 2.661 1.00 0.00 C ATOM 327 C TYR A 21 -4.024 1.625 3.240 1.00 0.00 C ATOM 328 O TYR A 21 -3.540 2.702 2.957 1.00 0.00 O ATOM 329 CB TYR A 21 -1.975 0.263 3.092 1.00 0.00 C ATOM 330 CG TYR A 21 -1.427 -1.142 3.120 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.538 -1.919 4.261 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.788 -1.683 2.012 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.031 -3.200 4.301 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.276 -2.965 2.041 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.400 -3.721 3.189 1.00 0.00 C ATOM 336 OH TYR A 21 0.108 -5.000 3.227 1.00 0.00 O ATOM 0 H TYR A 21 -3.003 1.138 0.775 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.985 -0.508 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.368 0.863 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.871 0.700 4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.030 -1.515 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.690 -1.092 1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.127 -3.794 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.218 -3.373 1.172 1.00 0.00 H new ATOM 0 HH TYR A 21 0.519 -5.214 2.364 1.00 0.00 H new ATOM 346 N PHE A 22 -5.048 1.496 4.057 1.00 0.00 N ATOM 347 CA PHE A 22 -5.653 2.655 4.680 1.00 0.00 C ATOM 348 C PHE A 22 -5.703 2.426 6.182 1.00 0.00 C ATOM 349 O PHE A 22 -6.753 2.552 6.812 1.00 0.00 O ATOM 350 CB PHE A 22 -7.065 2.901 4.133 1.00 0.00 C ATOM 351 CG PHE A 22 -7.130 3.165 2.649 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.113 3.844 2.000 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.220 2.736 1.906 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.179 4.089 0.640 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.290 2.978 0.544 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.267 3.656 -0.089 1.00 0.00 C ATOM 0 H PHE A 22 -5.478 0.605 4.305 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.055 3.538 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.684 2.034 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.500 3.751 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.257 4.187 2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.024 2.207 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.377 4.620 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.144 2.637 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.319 3.847 -1.151 1.00 0.00 H new ATOM 366 N GLY A 23 -4.554 2.064 6.745 1.00 0.00 N ATOM 367 CA GLY A 23 -4.476 1.787 8.162 1.00 0.00 C ATOM 368 C GLY A 23 -4.267 3.041 8.992 1.00 0.00 C ATOM 369 O GLY A 23 -4.117 4.133 8.445 1.00 0.00 O ATOM 0 H GLY A 23 -3.674 1.958 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.393 1.292 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.657 1.092 8.348 1.00 0.00 H new ATOM 373 N LYS A 24 -4.261 2.888 10.313 1.00 0.00 N ATOM 374 CA LYS A 24 -4.075 4.022 11.214 1.00 0.00 C ATOM 375 C LYS A 24 -2.786 3.885 12.017 1.00 0.00 C ATOM 376 O LYS A 24 -2.448 2.799 12.490 1.00 0.00 O ATOM 377 CB LYS A 24 -5.270 4.148 12.162 1.00 0.00 C ATOM 378 CG LYS A 24 -5.600 2.859 12.899 1.00 0.00 C ATOM 379 CD LYS A 24 -6.505 3.117 14.092 1.00 0.00 C ATOM 380 CE LYS A 24 -6.797 1.837 14.857 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.865 1.650 16.005 1.00 0.00 N ATOM 0 H LYS A 24 -4.383 1.991 10.783 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.003 4.924 10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.064 4.931 12.891 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.143 4.465 11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.086 2.162 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.678 2.385 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.034 3.840 14.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.441 3.560 13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.824 1.859 15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.717 0.985 14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.098 0.766 16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.887 1.603 15.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.959 2.450 16.662 1.00 0.00 H new ATOM 436 N GLN A 28 3.503 11.173 10.674 1.00 0.00 N ATOM 437 CA GLN A 28 3.800 12.164 9.642 1.00 0.00 C ATOM 438 C GLN A 28 3.882 11.509 8.265 1.00 0.00 C ATOM 439 O GLN A 28 3.653 10.307 8.125 1.00 0.00 O ATOM 440 CB GLN A 28 5.115 12.882 9.954 1.00 0.00 C ATOM 441 CG GLN A 28 4.928 14.210 10.671 1.00 0.00 C ATOM 442 CD GLN A 28 6.242 14.823 11.114 1.00 0.00 C ATOM 443 OE1 GLN A 28 6.410 15.184 12.279 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.183 14.944 10.185 1.00 0.00 N ATOM 0 HA GLN A 28 2.989 12.893 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.738 12.231 10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.655 13.054 9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.411 14.906 10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.289 14.062 11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.001 14.632 9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.088 15.349 10.425 1.00 0.00 H new ATOM 453 N TRP A 29 4.205 12.306 7.250 1.00 0.00 N ATOM 454 CA TRP A 29 4.313 11.804 5.884 1.00 0.00 C ATOM 455 C TRP A 29 5.440 10.790 5.754 1.00 0.00 C ATOM 456 O TRP A 29 5.248 9.697 5.222 1.00 0.00 O ATOM 457 CB TRP A 29 4.543 12.952 4.902 1.00 0.00 C ATOM 458 CG TRP A 29 4.609 12.489 3.481 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.565 12.364 2.612 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.778 12.071 2.768 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.013 11.893 1.404 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.367 11.708 1.473 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.133 11.971 3.097 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.259 11.250 0.509 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.020 11.516 2.138 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.579 11.160 0.857 1.00 0.00 C ATOM 0 H TRP A 29 4.397 13.303 7.348 1.00 0.00 H new ATOM 0 HA TRP A 29 3.371 11.310 5.644 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.739 13.681 5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.471 13.463 5.157 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.537 12.601 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.431 11.710 0.587 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.481 12.244 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.921 10.975 -0.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.069 11.434 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.295 10.807 0.130 1.00 0.00 H new ATOM 477 N VAL A 30 6.616 11.164 6.239 1.00 0.00 N ATOM 478 CA VAL A 30 7.782 10.290 6.177 1.00 0.00 C ATOM 479 C VAL A 30 7.480 8.945 6.816 1.00 0.00 C ATOM 480 O VAL A 30 8.018 7.916 6.410 1.00 0.00 O ATOM 481 CB VAL A 30 8.996 10.924 6.879 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.559 12.058 6.041 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.612 11.418 8.265 1.00 0.00 C ATOM 0 H VAL A 30 6.789 12.067 6.680 1.00 0.00 H new ATOM 0 HA VAL A 30 8.022 10.146 5.124 1.00 0.00 H new ATOM 0 HB VAL A 30 9.769 10.163 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.417 12.496 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.872 11.673 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.793 12.820 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.483 11.863 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.823 12.165 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.255 10.580 8.864 1.00 0.00 H new ATOM 493 N HIS A 31 6.611 8.960 7.816 1.00 0.00 N ATOM 494 CA HIS A 31 6.230 7.738 8.504 1.00 0.00 C ATOM 495 C HIS A 31 5.347 6.875 7.610 1.00 0.00 C ATOM 496 O HIS A 31 5.328 5.652 7.736 1.00 0.00 O ATOM 497 CB HIS A 31 5.502 8.060 9.809 1.00 0.00 C ATOM 498 CG HIS A 31 6.072 7.351 10.998 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.152 7.826 11.712 1.00 0.00 N ATOM 500 CD2 HIS A 31 5.707 6.194 11.598 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.426 6.992 12.700 1.00 0.00 C ATOM 502 NE2 HIS A 31 6.563 5.994 12.652 1.00 0.00 N ATOM 0 H HIS A 31 6.158 9.804 8.168 1.00 0.00 H new ATOM 0 HA HIS A 31 7.138 7.183 8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.542 9.135 9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.450 7.793 9.705 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.893 5.548 11.302 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.220 7.107 13.423 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.537 5.202 13.294 1.00 0.00 H new ATOM 511 N ALA A 32 4.616 7.521 6.703 1.00 0.00 N ATOM 512 CA ALA A 32 3.737 6.802 5.792 1.00 0.00 C ATOM 513 C ALA A 32 4.543 6.023 4.761 1.00 0.00 C ATOM 514 O ALA A 32 4.315 4.833 4.559 1.00 0.00 O ATOM 515 CB ALA A 32 2.787 7.767 5.102 1.00 0.00 C ATOM 0 H ALA A 32 4.617 8.534 6.582 1.00 0.00 H new ATOM 0 HA ALA A 32 3.152 6.090 6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.136 7.215 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.181 8.279 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.361 8.501 4.536 1.00 0.00 H new ATOM 521 N ARG A 33 5.498 6.697 4.125 1.00 0.00 N ATOM 522 CA ARG A 33 6.346 6.055 3.130 1.00 0.00 C ATOM 523 C ARG A 33 7.128 4.913 3.763 1.00 0.00 C ATOM 524 O ARG A 33 7.306 3.858 3.152 1.00 0.00 O ATOM 525 CB ARG A 33 7.303 7.068 2.493 1.00 0.00 C ATOM 526 CG ARG A 33 8.153 7.825 3.498 1.00 0.00 C ATOM 527 CD ARG A 33 9.590 7.963 3.021 1.00 0.00 C ATOM 528 NE ARG A 33 10.303 9.020 3.732 1.00 0.00 N ATOM 529 CZ ARG A 33 11.614 9.007 3.953 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.353 7.995 3.520 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.188 10.007 4.607 1.00 0.00 N ATOM 0 H ARG A 33 5.702 7.684 4.282 1.00 0.00 H new ATOM 0 HA ARG A 33 5.707 5.651 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.959 6.546 1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.724 7.783 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.727 8.815 3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.135 7.305 4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.111 7.016 3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.598 8.176 1.952 1.00 0.00 H new ATOM 0 HE ARG A 33 9.765 9.814 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.916 7.224 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.359 7.988 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.624 10.788 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.194 9.995 4.776 1.00 0.00 H new ATOM 545 N TYR A 34 7.573 5.120 4.997 1.00 0.00 N ATOM 546 CA TYR A 34 8.312 4.092 5.715 1.00 0.00 C ATOM 547 C TYR A 34 7.406 2.897 5.972 1.00 0.00 C ATOM 548 O TYR A 34 7.850 1.749 5.956 1.00 0.00 O ATOM 549 CB TYR A 34 8.856 4.641 7.036 1.00 0.00 C ATOM 550 CG TYR A 34 10.364 4.600 7.135 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.034 3.397 7.315 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.117 5.764 7.050 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.413 3.354 7.406 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.496 5.730 7.140 1.00 0.00 C ATOM 555 CZ TYR A 34 13.138 4.524 7.318 1.00 0.00 C ATOM 556 OH TYR A 34 14.511 4.486 7.409 1.00 0.00 O ATOM 0 H TYR A 34 7.435 5.986 5.518 1.00 0.00 H new ATOM 0 HA TYR A 34 9.158 3.776 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.520 5.671 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.431 4.068 7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.468 2.480 7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.617 6.711 6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.919 2.410 7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.067 6.644 7.071 1.00 0.00 H new ATOM 0 HH TYR A 34 14.870 5.394 7.327 1.00 0.00 H new ATOM 566 N ALA A 35 6.124 3.181 6.184 1.00 0.00 N ATOM 567 CA ALA A 35 5.142 2.135 6.416 1.00 0.00 C ATOM 568 C ALA A 35 4.953 1.320 5.145 1.00 0.00 C ATOM 569 O ALA A 35 4.793 0.100 5.190 1.00 0.00 O ATOM 570 CB ALA A 35 3.820 2.734 6.870 1.00 0.00 C ATOM 0 H ALA A 35 5.744 4.128 6.199 1.00 0.00 H new ATOM 0 HA ALA A 35 5.503 1.478 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.098 1.935 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.971 3.288 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.443 3.408 6.101 1.00 0.00 H new ATOM 576 N CYS A 36 4.994 2.011 4.008 1.00 0.00 N ATOM 577 CA CYS A 36 4.851 1.369 2.716 1.00 0.00 C ATOM 578 C CYS A 36 5.926 0.313 2.542 1.00 0.00 C ATOM 579 O CYS A 36 5.643 -0.829 2.181 1.00 0.00 O ATOM 580 CB CYS A 36 4.963 2.401 1.596 1.00 0.00 C ATOM 581 SG CYS A 36 4.027 3.934 1.895 1.00 0.00 S ATOM 0 H CYS A 36 5.126 3.021 3.962 1.00 0.00 H new ATOM 0 HA CYS A 36 3.869 0.898 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.014 2.653 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.614 1.951 0.667 1.00 0.00 H new ATOM 586 N ASP A 37 7.164 0.711 2.807 1.00 0.00 N ATOM 587 CA ASP A 37 8.298 -0.192 2.690 1.00 0.00 C ATOM 588 C ASP A 37 8.090 -1.429 3.559 1.00 0.00 C ATOM 589 O ASP A 37 8.485 -2.535 3.188 1.00 0.00 O ATOM 590 CB ASP A 37 9.590 0.520 3.094 1.00 0.00 C ATOM 591 CG ASP A 37 10.747 0.184 2.174 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.363 -0.886 2.360 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.038 0.992 1.266 1.00 0.00 O ATOM 0 H ASP A 37 7.407 1.656 3.105 1.00 0.00 H new ATOM 0 HA ASP A 37 8.379 -0.506 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.425 1.597 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.850 0.244 4.116 1.00 0.00 H new ATOM 598 N ASP A 38 7.461 -1.231 4.715 1.00 0.00 N ATOM 599 CA ASP A 38 7.192 -2.326 5.639 1.00 0.00 C ATOM 600 C ASP A 38 6.105 -3.245 5.088 1.00 0.00 C ATOM 601 O ASP A 38 6.031 -4.421 5.445 1.00 0.00 O ATOM 602 CB ASP A 38 6.770 -1.779 7.003 1.00 0.00 C ATOM 603 CG ASP A 38 7.958 -1.400 7.866 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.760 -0.549 7.430 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.085 -1.956 8.977 1.00 0.00 O ATOM 0 H ASP A 38 7.128 -0.321 5.033 1.00 0.00 H new ATOM 0 HA ASP A 38 8.109 -2.904 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.134 -0.905 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.171 -2.527 7.522 1.00 0.00 H new ATOM 610 N MET A 39 5.265 -2.700 4.213 1.00 0.00 N ATOM 611 CA MET A 39 4.184 -3.465 3.604 1.00 0.00 C ATOM 612 C MET A 39 4.583 -3.925 2.208 1.00 0.00 C ATOM 613 O MET A 39 3.861 -4.682 1.558 1.00 0.00 O ATOM 614 CB MET A 39 2.909 -2.624 3.535 1.00 0.00 C ATOM 615 CG MET A 39 2.443 -2.111 4.888 1.00 0.00 C ATOM 616 SD MET A 39 2.073 -3.444 6.046 1.00 0.00 S ATOM 617 CE MET A 39 3.189 -3.046 7.388 1.00 0.00 C ATOM 0 H MET A 39 5.313 -1.727 3.909 1.00 0.00 H new ATOM 0 HA MET A 39 3.991 -4.342 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.079 -1.775 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.114 -3.221 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.214 -1.468 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.554 -1.495 4.752 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.775 -3.414 8.327 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.156 -3.516 7.208 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.316 -1.965 7.447 1.00 0.00 H new ATOM 627 N GLU A 40 5.743 -3.453 1.761 1.00 0.00 N ATOM 628 CA GLU A 40 6.275 -3.794 0.446 1.00 0.00 C ATOM 629 C GLU A 40 5.423 -3.193 -0.665 1.00 0.00 C ATOM 630 O GLU A 40 5.048 -3.880 -1.616 1.00 0.00 O ATOM 631 CB GLU A 40 6.359 -5.309 0.276 1.00 0.00 C ATOM 632 CG GLU A 40 7.569 -5.933 0.951 1.00 0.00 C ATOM 633 CD GLU A 40 7.186 -6.965 1.994 1.00 0.00 C ATOM 634 OE1 GLU A 40 6.386 -6.631 2.892 1.00 0.00 O ATOM 635 OE2 GLU A 40 7.688 -8.105 1.913 1.00 0.00 O ATOM 0 H GLU A 40 6.340 -2.825 2.299 1.00 0.00 H new ATOM 0 HA GLU A 40 7.278 -3.374 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.454 -5.762 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.385 -5.546 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.200 -6.402 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.163 -5.149 1.421 1.00 0.00 H new ATOM 642 N GLY A 41 5.122 -1.909 -0.538 1.00 0.00 N ATOM 643 CA GLY A 41 4.316 -1.235 -1.535 1.00 0.00 C ATOM 644 C GLY A 41 4.889 0.100 -1.959 1.00 0.00 C ATOM 645 O GLY A 41 6.041 0.188 -2.384 1.00 0.00 O ATOM 0 H GLY A 41 5.422 -1.321 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.220 -1.877 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.312 -1.083 -1.140 1.00 0.00 H new ATOM 649 N GLN A 42 4.068 1.136 -1.863 1.00 0.00 N ATOM 650 CA GLN A 42 4.467 2.480 -2.258 1.00 0.00 C ATOM 651 C GLN A 42 3.542 3.480 -1.609 1.00 0.00 C ATOM 652 O GLN A 42 2.438 3.125 -1.212 1.00 0.00 O ATOM 653 CB GLN A 42 4.387 2.635 -3.777 1.00 0.00 C ATOM 654 CG GLN A 42 4.614 4.060 -4.262 1.00 0.00 C ATOM 655 CD GLN A 42 4.352 4.220 -5.746 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.057 3.649 -6.578 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.331 4.999 -6.084 1.00 0.00 N ATOM 0 H GLN A 42 3.113 1.070 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 42 5.495 2.654 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.127 1.982 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.408 2.297 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.964 4.736 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.641 4.355 -4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.774 5.452 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.104 5.144 -7.068 1.00 0.00 H new ATOM 666 N LEU A 43 3.949 4.733 -1.509 1.00 0.00 N ATOM 667 CA LEU A 43 3.058 5.693 -0.922 1.00 0.00 C ATOM 668 C LEU A 43 2.004 6.010 -1.969 1.00 0.00 C ATOM 669 O LEU A 43 2.294 6.584 -3.017 1.00 0.00 O ATOM 670 CB LEU A 43 3.833 6.954 -0.511 1.00 0.00 C ATOM 671 CG LEU A 43 3.282 7.755 0.678 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.617 6.859 1.701 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.395 8.552 1.332 1.00 0.00 C ATOM 0 H LEU A 43 4.854 5.091 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 43 2.589 5.301 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.857 6.661 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.881 7.618 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 43 2.524 8.437 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.241 7.465 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.788 6.327 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.342 6.140 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.993 9.116 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.169 7.872 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.824 9.242 0.605 1.00 0.00 H new ATOM 685 N VAL A 44 0.789 5.578 -1.657 1.00 0.00 N ATOM 686 CA VAL A 44 -0.384 5.724 -2.518 1.00 0.00 C ATOM 687 C VAL A 44 -0.132 6.518 -3.787 1.00 0.00 C ATOM 688 O VAL A 44 -0.038 5.952 -4.876 1.00 0.00 O ATOM 689 CB VAL A 44 -1.542 6.370 -1.754 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.708 5.405 -1.660 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.080 6.807 -0.375 1.00 0.00 C ATOM 0 H VAL A 44 0.584 5.104 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.638 4.708 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.877 7.255 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.526 5.875 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.044 5.142 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.393 4.503 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.912 7.265 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.725 5.940 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.271 7.530 -0.475 1.00 0.00 H new ATOM 701 N SER A 45 -0.062 7.830 -3.644 1.00 0.00 N ATOM 702 CA SER A 45 0.137 8.714 -4.784 1.00 0.00 C ATOM 703 C SER A 45 -1.082 8.636 -5.698 1.00 0.00 C ATOM 704 O SER A 45 -0.967 8.345 -6.890 1.00 0.00 O ATOM 705 CB SER A 45 1.401 8.330 -5.555 1.00 0.00 C ATOM 706 OG SER A 45 2.315 9.409 -5.610 1.00 0.00 O ATOM 0 H SER A 45 -0.140 8.310 -2.747 1.00 0.00 H new ATOM 0 HA SER A 45 0.260 9.736 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.875 7.473 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.134 8.024 -6.567 1.00 0.00 H new ATOM 0 HG SER A 45 2.351 9.761 -6.524 1.00 0.00 H new ATOM 712 N ILE A 46 -2.252 8.878 -5.113 1.00 0.00 N ATOM 713 CA ILE A 46 -3.514 8.818 -5.845 1.00 0.00 C ATOM 714 C ILE A 46 -3.459 9.644 -7.123 1.00 0.00 C ATOM 715 O ILE A 46 -2.898 10.739 -7.147 1.00 0.00 O ATOM 716 CB ILE A 46 -4.711 9.295 -4.990 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.242 9.887 -3.652 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.686 8.148 -4.762 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.916 8.849 -2.596 1.00 0.00 C ATOM 0 H ILE A 46 -2.352 9.119 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.663 7.768 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.224 10.086 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.358 10.500 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.018 10.549 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.524 8.497 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.055 7.788 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.178 7.336 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.593 9.348 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.803 8.250 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.117 8.201 -2.957 1.00 0.00 H new ATOM 731 N HIS A 47 -4.048 9.105 -8.185 1.00 0.00 N ATOM 732 CA HIS A 47 -4.075 9.781 -9.476 1.00 0.00 C ATOM 733 C HIS A 47 -5.488 9.817 -10.042 1.00 0.00 C ATOM 734 O HIS A 47 -5.725 10.387 -11.108 1.00 0.00 O ATOM 735 CB HIS A 47 -3.141 9.077 -10.461 1.00 0.00 C ATOM 736 CG HIS A 47 -3.311 7.590 -10.489 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.429 6.970 -11.006 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.497 6.596 -10.060 1.00 0.00 C ATOM 739 CE1 HIS A 47 -4.295 5.660 -10.894 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.132 5.407 -10.323 1.00 0.00 N ATOM 0 H HIS A 47 -4.515 8.198 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.735 10.806 -9.328 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.316 9.473 -11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.109 9.312 -10.201 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.529 6.716 -9.597 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.015 4.922 -11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.765 4.479 -10.112 1.00 0.00 H new ATOM 749 N SER A 48 -6.426 9.207 -9.325 1.00 0.00 N ATOM 750 CA SER A 48 -7.813 9.175 -9.758 1.00 0.00 C ATOM 751 C SER A 48 -8.708 9.830 -8.717 1.00 0.00 C ATOM 752 O SER A 48 -8.741 9.399 -7.565 1.00 0.00 O ATOM 753 CB SER A 48 -8.262 7.733 -10.002 1.00 0.00 C ATOM 754 OG SER A 48 -9.500 7.694 -10.691 1.00 0.00 O ATOM 0 H SER A 48 -6.248 8.729 -8.442 1.00 0.00 H new ATOM 0 HA SER A 48 -7.895 9.731 -10.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.504 7.206 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.356 7.212 -9.049 1.00 0.00 H new ATOM 0 HG SER A 48 -9.764 6.762 -10.836 1.00 0.00 H new ATOM 760 N PRO A 49 -9.451 10.881 -9.107 1.00 0.00 N ATOM 761 CA PRO A 49 -10.350 11.581 -8.193 1.00 0.00 C ATOM 762 C PRO A 49 -11.197 10.606 -7.387 1.00 0.00 C ATOM 763 O PRO A 49 -11.595 10.893 -6.259 1.00 0.00 O ATOM 764 CB PRO A 49 -11.218 12.418 -9.131 1.00 0.00 C ATOM 765 CG PRO A 49 -10.339 12.685 -10.305 1.00 0.00 C ATOM 766 CD PRO A 49 -9.479 11.461 -10.464 1.00 0.00 C ATOM 0 HA PRO A 49 -9.819 12.178 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.120 11.881 -9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.539 13.345 -8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.931 12.866 -11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.728 13.573 -10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.901 10.765 -11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.478 11.716 -10.812 1.00 0.00 H new ATOM 774 N GLU A 50 -11.451 9.439 -7.975 1.00 0.00 N ATOM 775 CA GLU A 50 -12.230 8.405 -7.313 1.00 0.00 C ATOM 776 C GLU A 50 -11.424 7.752 -6.204 1.00 0.00 C ATOM 777 O GLU A 50 -11.923 7.552 -5.100 1.00 0.00 O ATOM 778 CB GLU A 50 -12.672 7.337 -8.311 1.00 0.00 C ATOM 779 CG GLU A 50 -13.369 6.158 -7.659 1.00 0.00 C ATOM 780 CD GLU A 50 -13.355 4.917 -8.529 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.253 4.480 -8.923 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.446 4.381 -8.817 1.00 0.00 O ATOM 0 H GLU A 50 -11.127 9.189 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.112 8.880 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.343 7.788 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.800 6.978 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.885 5.936 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.401 6.429 -7.436 1.00 0.00 H new ATOM 789 N GLU A 51 -10.179 7.409 -6.512 1.00 0.00 N ATOM 790 CA GLU A 51 -9.309 6.768 -5.545 1.00 0.00 C ATOM 791 C GLU A 51 -9.054 7.693 -4.363 1.00 0.00 C ATOM 792 O GLU A 51 -9.164 7.282 -3.209 1.00 0.00 O ATOM 793 CB GLU A 51 -7.990 6.361 -6.201 1.00 0.00 C ATOM 794 CG GLU A 51 -8.148 5.300 -7.278 1.00 0.00 C ATOM 795 CD GLU A 51 -8.541 3.950 -6.711 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.663 3.264 -6.147 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.727 3.579 -6.832 1.00 0.00 O ATOM 0 H GLU A 51 -9.753 7.566 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.803 5.869 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.524 7.244 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.311 5.989 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.904 5.624 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.211 5.201 -7.826 1.00 0.00 H new ATOM 804 N GLN A 52 -8.730 8.949 -4.657 1.00 0.00 N ATOM 805 CA GLN A 52 -8.478 9.932 -3.615 1.00 0.00 C ATOM 806 C GLN A 52 -9.719 10.095 -2.746 1.00 0.00 C ATOM 807 O GLN A 52 -9.627 10.189 -1.524 1.00 0.00 O ATOM 808 CB GLN A 52 -8.059 11.277 -4.226 1.00 0.00 C ATOM 809 CG GLN A 52 -9.224 12.203 -4.551 1.00 0.00 C ATOM 810 CD GLN A 52 -9.445 13.273 -3.495 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.065 14.302 -3.762 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.938 13.039 -2.288 1.00 0.00 N ATOM 0 H GLN A 52 -8.637 9.307 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.657 9.579 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.388 11.785 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.493 11.089 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.043 12.682 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.133 11.611 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.430 12.173 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.057 13.726 -1.543 1.00 0.00 H new ATOM 821 N ASP A 53 -10.879 10.099 -3.393 1.00 0.00 N ATOM 822 CA ASP A 53 -12.152 10.218 -2.702 1.00 0.00 C ATOM 823 C ASP A 53 -12.428 8.945 -1.918 1.00 0.00 C ATOM 824 O ASP A 53 -13.020 8.974 -0.841 1.00 0.00 O ATOM 825 CB ASP A 53 -13.280 10.474 -3.702 1.00 0.00 C ATOM 826 CG ASP A 53 -14.563 10.917 -3.025 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.509 11.862 -2.209 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.622 10.319 -3.310 1.00 0.00 O ATOM 0 H ASP A 53 -10.961 10.020 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.103 11.061 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.965 11.238 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.469 9.565 -4.273 1.00 0.00 H new ATOM 833 N PHE A 54 -11.998 7.825 -2.489 1.00 0.00 N ATOM 834 CA PHE A 54 -12.188 6.520 -1.886 1.00 0.00 C ATOM 835 C PHE A 54 -11.525 6.451 -0.520 1.00 0.00 C ATOM 836 O PHE A 54 -12.152 6.074 0.471 1.00 0.00 O ATOM 837 CB PHE A 54 -11.576 5.466 -2.806 1.00 0.00 C ATOM 838 CG PHE A 54 -12.559 4.467 -3.329 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.832 3.312 -2.622 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.204 4.685 -4.533 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.735 2.385 -3.106 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.106 3.764 -5.026 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.374 2.611 -4.311 1.00 0.00 C ATOM 0 H PHE A 54 -11.508 7.801 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.255 6.339 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.100 5.967 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.791 4.938 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.334 3.132 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.000 5.585 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.941 1.486 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.602 3.943 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.081 1.889 -4.693 1.00 0.00 H new ATOM 853 N LEU A 55 -10.260 6.840 -0.471 1.00 0.00 N ATOM 854 CA LEU A 55 -9.514 6.849 0.776 1.00 0.00 C ATOM 855 C LEU A 55 -9.982 7.998 1.651 1.00 0.00 C ATOM 856 O LEU A 55 -10.021 7.889 2.876 1.00 0.00 O ATOM 857 CB LEU A 55 -8.021 6.978 0.507 1.00 0.00 C ATOM 858 CG LEU A 55 -7.660 7.871 -0.671 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.086 9.186 -0.180 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.683 7.161 -1.587 1.00 0.00 C ATOM 0 H LEU A 55 -9.728 7.154 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.693 5.906 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.537 7.368 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.611 5.984 0.330 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.565 8.088 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.833 9.814 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.824 9.696 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.189 8.994 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.433 7.811 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.776 6.918 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.137 6.243 -1.962 1.00 0.00 H new ATOM 872 N THR A 56 -10.339 9.103 1.004 1.00 0.00 N ATOM 873 CA THR A 56 -10.812 10.282 1.706 1.00 0.00 C ATOM 874 C THR A 56 -12.067 9.938 2.497 1.00 0.00 C ATOM 875 O THR A 56 -12.242 10.378 3.632 1.00 0.00 O ATOM 876 CB THR A 56 -11.093 11.417 0.709 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.211 12.504 0.916 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.502 11.954 0.783 1.00 0.00 C ATOM 0 H THR A 56 -10.308 9.202 -0.011 1.00 0.00 H new ATOM 0 HA THR A 56 -10.042 10.621 2.399 1.00 0.00 H new ATOM 0 HB THR A 56 -10.945 10.969 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.408 13.213 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.626 12.752 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.209 11.152 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.690 12.346 1.782 1.00 0.00 H new ATOM 886 N LYS A 57 -12.923 9.125 1.889 1.00 0.00 N ATOM 887 CA LYS A 57 -14.150 8.692 2.531 1.00 0.00 C ATOM 888 C LYS A 57 -13.823 7.668 3.605 1.00 0.00 C ATOM 889 O LYS A 57 -14.457 7.626 4.659 1.00 0.00 O ATOM 890 CB LYS A 57 -15.114 8.093 1.504 1.00 0.00 C ATOM 891 CG LYS A 57 -16.573 8.418 1.779 1.00 0.00 C ATOM 892 CD LYS A 57 -16.904 9.854 1.407 1.00 0.00 C ATOM 893 CE LYS A 57 -17.125 10.006 -0.089 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.324 9.253 -0.552 1.00 0.00 N ATOM 0 H LYS A 57 -12.786 8.753 0.949 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.635 9.554 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.849 8.460 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.988 7.010 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.211 7.738 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.790 8.255 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.799 10.172 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.093 10.509 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.243 11.062 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.244 9.651 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.672 9.666 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.069 8.257 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.070 9.309 0.171 1.00 0.00 H new ATOM 907 N HIS A 58 -12.811 6.849 3.328 1.00 0.00 N ATOM 908 CA HIS A 58 -12.378 5.830 4.272 1.00 0.00 C ATOM 909 C HIS A 58 -11.739 6.479 5.495 1.00 0.00 C ATOM 910 O HIS A 58 -11.761 5.918 6.591 1.00 0.00 O ATOM 911 CB HIS A 58 -11.385 4.875 3.607 1.00 0.00 C ATOM 912 CG HIS A 58 -11.652 3.433 3.906 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.596 2.686 3.231 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.093 2.596 4.813 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.607 1.455 3.711 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.703 1.375 4.670 1.00 0.00 N ATOM 0 H HIS A 58 -12.278 6.873 2.458 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.251 5.261 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.415 5.026 2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.376 5.125 3.936 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.192 3.031 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.313 2.844 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.246 0.652 3.376 1.00 0.00 H new ATOM 978 N GLY A 63 -7.124 11.893 8.725 1.00 0.00 N ATOM 979 CA GLY A 63 -6.773 12.064 7.328 1.00 0.00 C ATOM 980 C GLY A 63 -5.977 10.893 6.786 1.00 0.00 C ATOM 981 O GLY A 63 -5.877 9.850 7.431 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.683 12.185 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.193 12.980 7.211 1.00 0.00 H new ATOM 985 N SER A 64 -5.411 11.070 5.600 1.00 0.00 N ATOM 986 CA SER A 64 -4.618 10.025 4.964 1.00 0.00 C ATOM 987 C SER A 64 -3.340 10.600 4.365 1.00 0.00 C ATOM 988 O SER A 64 -3.266 11.791 4.063 1.00 0.00 O ATOM 989 CB SER A 64 -5.435 9.324 3.878 1.00 0.00 C ATOM 990 OG SER A 64 -5.267 9.961 2.623 1.00 0.00 O ATOM 0 H SER A 64 -5.486 11.930 5.057 1.00 0.00 H new ATOM 0 HA SER A 64 -4.344 9.297 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.128 8.281 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.490 9.327 4.153 1.00 0.00 H new ATOM 0 HG SER A 64 -6.136 10.277 2.298 1.00 0.00 H new ATOM 996 N TRP A 65 -2.342 9.744 4.183 1.00 0.00 N ATOM 997 CA TRP A 65 -1.073 10.166 3.608 1.00 0.00 C ATOM 998 C TRP A 65 -0.942 9.649 2.188 1.00 0.00 C ATOM 999 O TRP A 65 -1.203 8.480 1.919 1.00 0.00 O ATOM 1000 CB TRP A 65 0.093 9.671 4.459 1.00 0.00 C ATOM 1001 CG TRP A 65 0.352 10.553 5.633 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.603 11.892 5.604 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.375 10.166 7.010 1.00 0.00 C ATOM 1004 NE1 TRP A 65 0.774 12.365 6.879 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.641 11.323 7.762 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.195 8.953 7.679 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.728 11.304 9.151 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.284 8.934 9.057 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.547 10.103 9.780 1.00 0.00 C ATOM 0 H TRP A 65 -2.388 8.754 4.425 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.049 11.256 3.589 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.118 8.660 4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.991 9.616 3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.659 12.492 4.708 1.00 0.00 H new ATOM 0 HE1 TRP A 65 0.969 13.334 7.131 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.010 8.047 7.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.931 12.205 9.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.148 8.002 9.585 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.608 10.056 10.857 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.549 10.528 1.282 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.402 10.152 -0.116 1.00 0.00 C ATOM 1022 C ILE A 66 1.044 10.239 -0.570 1.00 0.00 C ATOM 1023 O ILE A 66 1.889 10.810 0.115 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.274 11.027 -1.032 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.591 12.369 -1.296 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.648 11.225 -0.409 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.527 13.440 -1.801 1.00 0.00 C ATOM 0 H ILE A 66 -0.327 11.502 1.486 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.735 9.117 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.401 10.522 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.122 12.715 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.206 12.223 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.259 11.846 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.129 10.256 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.541 11.715 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.970 14.362 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.978 13.117 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.310 13.616 -1.064 1.00 0.00 H new ATOM 1039 N GLY A 67 1.315 9.658 -1.731 1.00 0.00 N ATOM 1040 CA GLY A 67 2.657 9.667 -2.272 1.00 0.00 C ATOM 1041 C GLY A 67 3.046 11.004 -2.873 1.00 0.00 C ATOM 1042 O GLY A 67 3.439 11.074 -4.036 1.00 0.00 O ATOM 0 H GLY A 67 0.625 9.179 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.363 9.411 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.740 8.894 -3.036 1.00 0.00 H new ATOM 1046 N LEU A 68 2.944 12.070 -2.084 1.00 0.00 N ATOM 1047 CA LEU A 68 3.296 13.400 -2.562 1.00 0.00 C ATOM 1048 C LEU A 68 4.323 14.077 -1.658 1.00 0.00 C ATOM 1049 O LEU A 68 4.124 14.208 -0.450 1.00 0.00 O ATOM 1050 CB LEU A 68 2.047 14.283 -2.663 1.00 0.00 C ATOM 1051 CG LEU A 68 2.202 15.542 -3.523 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.060 16.584 -2.819 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.800 15.191 -4.871 1.00 0.00 C ATOM 0 H LEU A 68 2.622 12.038 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 68 3.740 13.277 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.231 13.685 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.753 14.584 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 68 1.211 15.968 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.153 17.466 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.592 16.863 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.050 16.170 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.904 16.096 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.780 14.737 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.147 14.487 -5.387 1.00 0.00 H new ATOM 1065 N ARG A 69 5.405 14.535 -2.275 1.00 0.00 N ATOM 1066 CA ARG A 69 6.468 15.241 -1.572 1.00 0.00 C ATOM 1067 C ARG A 69 6.952 16.417 -2.422 1.00 0.00 C ATOM 1068 O ARG A 69 7.396 16.224 -3.553 1.00 0.00 O ATOM 1069 CB ARG A 69 7.627 14.289 -1.260 1.00 0.00 C ATOM 1070 CG ARG A 69 8.949 14.992 -1.001 1.00 0.00 C ATOM 1071 CD ARG A 69 9.979 14.650 -2.065 1.00 0.00 C ATOM 1072 NE ARG A 69 11.272 14.299 -1.483 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.143 13.478 -2.062 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.863 12.928 -3.235 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.297 13.208 -1.466 1.00 0.00 N ATOM 0 H ARG A 69 5.570 14.428 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 69 6.080 15.623 -0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.368 13.691 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.751 13.598 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.791 16.070 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.329 14.706 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.615 13.818 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.102 15.500 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 69 11.521 14.707 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.977 13.134 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.534 12.299 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.516 13.630 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.965 12.578 -1.910 1.00 0.00 H new ATOM 1089 N ASN A 70 6.866 17.630 -1.886 1.00 0.00 N ATOM 1090 CA ASN A 70 7.299 18.811 -2.627 1.00 0.00 C ATOM 1091 C ASN A 70 8.767 19.119 -2.353 1.00 0.00 C ATOM 1092 O ASN A 70 9.225 19.052 -1.213 1.00 0.00 O ATOM 1093 CB ASN A 70 6.424 20.019 -2.274 1.00 0.00 C ATOM 1094 CG ASN A 70 7.235 21.273 -2.013 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.784 21.457 -0.926 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.314 22.147 -3.010 1.00 0.00 N ATOM 0 H ASN A 70 6.505 17.821 -0.952 1.00 0.00 H new ATOM 0 HA ASN A 70 7.188 18.601 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.725 20.207 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.829 19.786 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.845 23.010 -2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.844 21.955 -3.895 1.00 0.00 H new ATOM 1196 N PHE A 77 5.429 19.970 -6.571 1.00 0.00 N ATOM 1197 CA PHE A 77 5.048 18.752 -5.870 1.00 0.00 C ATOM 1198 C PHE A 77 5.392 17.525 -6.707 1.00 0.00 C ATOM 1199 O PHE A 77 4.907 17.363 -7.826 1.00 0.00 O ATOM 1200 CB PHE A 77 3.547 18.752 -5.540 1.00 0.00 C ATOM 1201 CG PHE A 77 3.042 20.005 -4.861 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.885 21.077 -4.597 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.709 20.106 -4.493 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.409 22.221 -3.986 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.230 21.248 -3.878 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.081 22.307 -3.626 1.00 0.00 C ATOM 0 HA PHE A 77 5.608 18.716 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.987 18.607 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.331 17.897 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.927 21.015 -4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.037 19.283 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.077 23.047 -3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.190 21.312 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.707 23.200 -3.148 1.00 0.00 H new ATOM 1216 N ILE A 78 6.236 16.668 -6.151 1.00 0.00 N ATOM 1217 CA ILE A 78 6.660 15.452 -6.825 1.00 0.00 C ATOM 1218 C ILE A 78 6.251 14.227 -6.016 1.00 0.00 C ATOM 1219 O ILE A 78 6.323 14.235 -4.792 1.00 0.00 O ATOM 1220 CB ILE A 78 8.187 15.444 -7.057 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.487 15.707 -8.542 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.807 14.135 -6.575 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.352 14.656 -9.212 1.00 0.00 C ATOM 0 H ILE A 78 6.644 16.796 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 78 6.167 15.420 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 78 8.641 16.243 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.543 15.778 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.980 16.675 -8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.883 14.156 -6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.615 14.012 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.367 13.301 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.510 14.926 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.314 14.598 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.855 13.688 -9.159 1.00 0.00 H new ATOM 1235 N TRP A 79 5.822 13.179 -6.702 1.00 0.00 N ATOM 1236 CA TRP A 79 5.401 11.960 -6.027 1.00 0.00 C ATOM 1237 C TRP A 79 6.606 11.191 -5.503 1.00 0.00 C ATOM 1238 O TRP A 79 7.695 11.263 -6.070 1.00 0.00 O ATOM 1239 CB TRP A 79 4.600 11.061 -6.978 1.00 0.00 C ATOM 1240 CG TRP A 79 3.300 11.654 -7.441 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.838 12.917 -7.208 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.296 11.001 -8.227 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.608 13.088 -7.795 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.254 11.926 -8.428 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.177 9.723 -8.780 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.111 11.613 -9.158 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.041 9.413 -9.505 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.022 10.356 -9.688 1.00 0.00 C ATOM 0 H TRP A 79 5.756 13.147 -7.719 1.00 0.00 H new ATOM 0 HA TRP A 79 4.767 12.248 -5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.214 10.836 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.396 10.114 -6.478 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.364 13.673 -6.644 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.049 13.941 -7.765 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.959 8.990 -8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.677 12.337 -9.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.938 8.428 -9.937 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.853 10.084 -10.260 1.00 0.00 H new ATOM 1259 N VAL A 80 6.399 10.454 -4.417 1.00 0.00 N ATOM 1260 CA VAL A 80 7.464 9.661 -3.812 1.00 0.00 C ATOM 1261 C VAL A 80 8.012 8.648 -4.814 1.00 0.00 C ATOM 1262 O VAL A 80 9.157 8.207 -4.710 1.00 0.00 O ATOM 1263 CB VAL A 80 6.948 8.917 -2.563 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.558 8.372 -2.821 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.901 7.806 -2.148 1.00 0.00 C ATOM 0 H VAL A 80 5.502 10.389 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 80 8.262 10.342 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 80 6.897 9.627 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.202 7.848 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.882 9.195 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.589 7.680 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.509 7.301 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.000 7.088 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.878 8.231 -1.919 1.00 0.00 H new ATOM 1275 N ASP A 81 7.183 8.289 -5.789 1.00 0.00 N ATOM 1276 CA ASP A 81 7.574 7.331 -6.816 1.00 0.00 C ATOM 1277 C ASP A 81 8.472 7.991 -7.854 1.00 0.00 C ATOM 1278 O ASP A 81 8.984 7.331 -8.760 1.00 0.00 O ATOM 1279 CB ASP A 81 6.336 6.743 -7.495 1.00 0.00 C ATOM 1280 CG ASP A 81 6.658 5.515 -8.323 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.378 4.628 -7.816 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.192 5.439 -9.479 1.00 0.00 O ATOM 0 H ASP A 81 6.234 8.648 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 81 8.130 6.526 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.598 6.483 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.882 7.500 -8.135 1.00 0.00 H new ATOM 1287 N GLY A 82 8.661 9.297 -7.712 1.00 0.00 N ATOM 1288 CA GLY A 82 9.498 10.033 -8.635 1.00 0.00 C ATOM 1289 C GLY A 82 8.739 10.523 -9.853 1.00 0.00 C ATOM 1290 O GLY A 82 9.303 10.621 -10.943 1.00 0.00 O ATOM 0 H GLY A 82 8.246 9.860 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.937 10.886 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.322 9.397 -8.958 1.00 0.00 H new ATOM 1294 N SER A 83 7.459 10.831 -9.671 1.00 0.00 N ATOM 1295 CA SER A 83 6.629 11.312 -10.771 1.00 0.00 C ATOM 1296 C SER A 83 5.884 12.587 -10.382 1.00 0.00 C ATOM 1297 O SER A 83 5.118 12.598 -9.425 1.00 0.00 O ATOM 1298 CB SER A 83 5.630 10.233 -11.193 1.00 0.00 C ATOM 1299 OG SER A 83 6.288 9.145 -11.819 1.00 0.00 O ATOM 0 H SER A 83 6.975 10.757 -8.776 1.00 0.00 H new ATOM 0 HA SER A 83 7.285 11.541 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.083 9.878 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.896 10.660 -11.876 1.00 0.00 H new ATOM 0 HG SER A 83 5.628 8.468 -12.078 1.00 0.00 H new ATOM 1305 N HIS A 84 6.114 13.659 -11.134 1.00 0.00 N ATOM 1306 CA HIS A 84 5.461 14.935 -10.864 1.00 0.00 C ATOM 1307 C HIS A 84 3.942 14.787 -10.893 1.00 0.00 C ATOM 1308 O HIS A 84 3.401 13.986 -11.656 1.00 0.00 O ATOM 1309 CB HIS A 84 5.902 15.985 -11.885 1.00 0.00 C ATOM 1310 CG HIS A 84 5.759 15.535 -13.306 1.00 0.00 C ATOM 1311 ND1 HIS A 84 4.548 15.486 -13.962 1.00 0.00 N ATOM 1312 CD2 HIS A 84 6.686 15.112 -14.199 1.00 0.00 C ATOM 1313 CE1 HIS A 84 4.735 15.052 -15.196 1.00 0.00 C ATOM 1314 NE2 HIS A 84 6.023 14.819 -15.365 1.00 0.00 N ATOM 0 H HIS A 84 6.747 13.669 -11.934 1.00 0.00 H new ATOM 0 HA HIS A 84 5.757 15.261 -9.867 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.315 16.891 -11.739 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.944 16.247 -11.698 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.648 15.744 -13.558 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.748 15.022 -14.026 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.965 14.912 -15.940 1.00 0.00 H new ATOM 1323 N VAL A 85 3.264 15.563 -10.054 1.00 0.00 N ATOM 1324 CA VAL A 85 1.807 15.528 -9.973 1.00 0.00 C ATOM 1325 C VAL A 85 1.174 15.693 -11.352 1.00 0.00 C ATOM 1326 O VAL A 85 1.762 16.301 -12.247 1.00 0.00 O ATOM 1327 CB VAL A 85 1.271 16.629 -9.038 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.236 16.515 -8.882 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.953 16.559 -7.682 1.00 0.00 C ATOM 0 H VAL A 85 3.703 16.228 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 85 1.536 14.553 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 85 1.497 17.596 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.594 17.302 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.712 16.619 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.485 15.542 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.561 17.345 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.761 15.587 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.027 16.695 -7.808 1.00 0.00 H new ATOM 1339 N ASP A 86 -0.028 15.146 -11.519 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.737 15.232 -12.791 1.00 0.00 C ATOM 1341 C ASP A 86 -2.124 15.844 -12.615 1.00 0.00 C ATOM 1342 O ASP A 86 -2.616 16.545 -13.500 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.859 13.843 -13.423 1.00 0.00 C ATOM 1344 CG ASP A 86 0.395 13.437 -14.171 1.00 0.00 C ATOM 1345 OD1 ASP A 86 0.520 13.799 -15.360 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.253 12.756 -13.569 1.00 0.00 O ATOM 0 H ASP A 86 -0.530 14.639 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.160 15.881 -13.450 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.068 13.109 -12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.707 13.831 -14.108 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.753 15.575 -11.474 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.087 16.103 -11.199 1.00 0.00 C ATOM 1353 C TYR A 87 -4.084 17.025 -9.985 1.00 0.00 C ATOM 1354 O TYR A 87 -4.644 18.120 -10.025 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.080 14.958 -10.982 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.826 14.557 -12.234 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.198 13.826 -13.236 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -7.157 14.908 -12.415 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.876 13.458 -14.382 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.842 14.542 -13.559 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.197 13.818 -14.539 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.876 13.453 -15.678 1.00 0.00 O ATOM 0 H TYR A 87 -2.364 14.998 -10.729 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.395 16.687 -12.066 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.543 14.091 -10.596 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.800 15.253 -10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.163 13.541 -13.117 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.665 15.476 -11.650 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.373 12.891 -15.151 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.878 14.822 -13.684 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.797 13.784 -15.630 1.00 0.00 H new ATOM 1372 N SER A 88 -3.452 16.569 -8.906 1.00 0.00 N ATOM 1373 CA SER A 88 -3.371 17.340 -7.663 1.00 0.00 C ATOM 1374 C SER A 88 -4.762 17.597 -7.089 1.00 0.00 C ATOM 1375 O SER A 88 -5.744 17.669 -7.826 1.00 0.00 O ATOM 1376 CB SER A 88 -2.643 18.668 -7.889 1.00 0.00 C ATOM 1377 OG SER A 88 -2.191 18.793 -9.227 1.00 0.00 O ATOM 0 H SER A 88 -2.985 15.663 -8.866 1.00 0.00 H new ATOM 0 HA SER A 88 -2.802 16.750 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.312 19.495 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.794 18.739 -7.209 1.00 0.00 H new ATOM 0 HG SER A 88 -1.732 19.652 -9.338 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.847 17.723 -5.766 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.130 17.955 -5.116 1.00 0.00 C ATOM 1385 C ASN A 89 -6.052 19.029 -4.028 1.00 0.00 C ATOM 1386 O ASN A 89 -7.089 19.480 -3.543 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.652 16.650 -4.516 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.124 15.668 -5.568 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.414 16.044 -6.703 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.206 14.399 -5.190 1.00 0.00 N ATOM 0 H ASN A 89 -4.051 17.669 -5.131 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.817 18.318 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.864 16.188 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.475 16.871 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.520 13.689 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.955 14.133 -4.238 1.00 0.00 H new ATOM 1592 N CYS A 104 4.728 18.312 1.858 1.00 0.00 N ATOM 1593 CA CYS A 104 3.978 17.061 1.792 1.00 0.00 C ATOM 1594 C CYS A 104 2.481 17.349 1.725 1.00 0.00 C ATOM 1595 O CYS A 104 2.001 18.335 2.287 1.00 0.00 O ATOM 1596 CB CYS A 104 4.293 16.164 2.997 1.00 0.00 C ATOM 1597 SG CYS A 104 5.782 16.652 3.932 1.00 0.00 S ATOM 0 HA CYS A 104 4.279 16.531 0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.437 16.169 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.418 15.139 2.648 1.00 0.00 H new ATOM 0 HG CYS A 104 6.214 17.797 3.494 1.00 0.00 H new ATOM 1602 N VAL A 105 1.741 16.497 1.027 1.00 0.00 N ATOM 1603 CA VAL A 105 0.308 16.687 0.891 1.00 0.00 C ATOM 1604 C VAL A 105 -0.470 15.701 1.752 1.00 0.00 C ATOM 1605 O VAL A 105 -0.132 14.521 1.838 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.146 16.563 -0.576 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.660 16.489 -0.672 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.368 17.741 -1.385 1.00 0.00 C ATOM 0 H VAL A 105 2.109 15.674 0.550 1.00 0.00 H new ATOM 0 HA VAL A 105 0.094 17.699 1.236 1.00 0.00 H new ATOM 0 HB VAL A 105 0.269 15.641 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.954 16.402 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.017 15.619 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.096 17.393 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.041 17.642 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.024 18.668 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.457 17.759 -1.349 1.00 0.00 H new ATOM 1618 N MET A 106 -1.516 16.211 2.383 1.00 0.00 N ATOM 1619 CA MET A 106 -2.373 15.418 3.246 1.00 0.00 C ATOM 1620 C MET A 106 -3.794 15.404 2.700 1.00 0.00 C ATOM 1621 O MET A 106 -4.121 16.153 1.785 1.00 0.00 O ATOM 1622 CB MET A 106 -2.360 15.974 4.672 1.00 0.00 C ATOM 1623 CG MET A 106 -3.328 17.128 4.887 1.00 0.00 C ATOM 1624 SD MET A 106 -4.769 16.651 5.860 1.00 0.00 S ATOM 1625 CE MET A 106 -5.297 18.244 6.485 1.00 0.00 C ATOM 0 H MET A 106 -1.794 17.190 2.310 1.00 0.00 H new ATOM 0 HA MET A 106 -1.993 14.397 3.270 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.605 15.171 5.368 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.351 16.308 4.913 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.809 17.944 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.657 17.507 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.384 18.308 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.965 18.358 7.517 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.864 19.036 5.874 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.530 16.927 -0.927 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.243 17.072 -0.264 1.00 0.00 C ATOM 1727 C TRP A 113 -6.022 18.485 0.220 1.00 0.00 C ATOM 1728 O TRP A 113 -6.632 19.429 -0.268 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.085 16.805 -1.213 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.078 15.491 -1.914 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.892 14.416 -1.719 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.168 15.134 -2.947 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.538 13.404 -2.583 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.475 13.824 -3.347 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.119 15.812 -3.571 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.762 13.170 -4.349 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.413 15.165 -4.568 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.735 13.854 -4.948 1.00 0.00 C ATOM 0 HA TRP A 113 -6.268 16.357 0.558 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.076 17.592 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.157 16.894 -0.649 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.693 14.365 -0.997 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.990 12.492 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.864 16.821 -3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.009 12.161 -4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.601 15.677 -5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.163 13.373 -5.728 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.071 18.614 1.119 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.656 19.902 1.610 1.00 0.00 C ATOM 1751 C ASN A 114 -3.134 19.920 1.626 1.00 0.00 C ATOM 1752 O ASN A 114 -2.501 19.101 2.293 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.213 20.161 3.012 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.454 19.341 3.304 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.378 18.131 3.515 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.608 19.999 3.316 1.00 0.00 N ATOM 0 H ASN A 114 -4.566 17.827 1.528 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.040 20.691 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.447 19.931 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.448 21.220 3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.477 19.500 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -7.625 21.003 3.136 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.552 20.840 0.873 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.107 20.950 0.782 1.00 0.00 C ATOM 1765 C ASP A 115 -0.540 21.795 1.917 1.00 0.00 C ATOM 1766 O ASP A 115 -0.957 22.934 2.129 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.715 21.545 -0.570 1.00 0.00 C ATOM 1768 CG ASP A 115 0.788 21.624 -0.743 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.425 20.562 -0.900 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.331 22.749 -0.718 1.00 0.00 O ATOM 0 H ASP A 115 -3.062 21.524 0.314 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.684 19.949 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.140 20.938 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.143 22.543 -0.665 1.00 0.00 H new ATOM 1891 N GLY A 123 -4.139 10.969 11.389 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.570 9.826 12.080 1.00 0.00 C ATOM 1893 C GLY A 123 -3.823 8.504 11.377 1.00 0.00 C ATOM 1894 O GLY A 123 -4.204 7.524 12.016 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.495 9.973 12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.984 9.778 13.087 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.598 8.468 10.068 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.795 7.245 9.298 1.00 0.00 C ATOM 1900 C ALA A 124 -2.751 7.125 8.194 1.00 0.00 C ATOM 1901 O ALA A 124 -2.548 8.059 7.419 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.197 7.208 8.710 1.00 0.00 C ATOM 0 H ALA A 124 -3.281 9.268 9.520 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.677 6.396 9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.328 6.289 8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.930 7.242 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.339 8.067 8.054 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.095 5.969 8.121 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.076 5.733 7.108 1.00 0.00 C ATOM 1910 C TRP A 125 -1.644 4.905 5.967 1.00 0.00 C ATOM 1911 O TRP A 125 -2.311 3.889 6.190 1.00 0.00 O ATOM 1912 CB TRP A 125 0.136 5.026 7.716 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.208 3.732 8.384 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.722 3.573 9.637 1.00 0.00 C ATOM 1915 CD2 TRP A 125 -0.065 2.417 7.837 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.911 2.239 9.902 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.513 1.508 8.813 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.398 1.919 6.615 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.512 0.131 8.606 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.399 0.551 6.411 1.00 0.00 C ATOM 1921 CH2 TRP A 125 -0.055 -0.328 7.402 1.00 0.00 C ATOM 0 H TRP A 125 -2.253 5.183 8.752 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.755 6.698 6.717 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.870 4.839 6.932 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.608 5.688 8.442 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.947 4.378 10.321 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.287 1.854 10.769 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.748 2.590 5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.860 -0.550 9.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.756 0.154 5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.044 -1.391 7.211 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.388 5.347 4.743 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.889 4.644 3.582 1.00 0.00 C ATOM 1934 C VAL A 126 -0.808 4.439 2.515 1.00 0.00 C ATOM 1935 O VAL A 126 -0.126 5.377 2.104 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.111 5.373 2.980 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.095 6.845 3.333 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.192 5.173 1.477 1.00 0.00 C ATOM 0 H VAL A 126 -0.841 6.182 4.535 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.201 3.656 3.922 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.006 4.932 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.966 7.333 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.120 6.960 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.187 7.303 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.063 5.699 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.290 5.567 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.281 4.109 1.256 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.681 3.189 2.074 1.00 0.00 N ATOM 1949 CA CYS A 127 0.290 2.794 1.045 1.00 0.00 C ATOM 1950 C CYS A 127 -0.336 1.764 0.115 1.00 0.00 C ATOM 1951 O CYS A 127 -1.337 1.159 0.458 1.00 0.00 O ATOM 1952 CB CYS A 127 1.556 2.213 1.669 1.00 0.00 C ATOM 1953 SG CYS A 127 2.365 3.307 2.876 1.00 0.00 S ATOM 0 H CYS A 127 -1.249 2.415 2.419 1.00 0.00 H new ATOM 0 HA CYS A 127 0.565 3.686 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.307 1.272 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.265 1.980 0.874 1.00 0.00 H new ATOM 1958 N ASP A 128 0.247 1.546 -1.054 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.306 0.566 -1.972 1.00 0.00 C ATOM 1960 C ASP A 128 0.739 -0.456 -2.386 1.00 0.00 C ATOM 1961 O ASP A 128 1.909 -0.134 -2.570 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.872 1.261 -3.211 1.00 0.00 C ATOM 1963 CG ASP A 128 0.180 2.056 -3.960 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.764 2.982 -3.359 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.418 1.754 -5.148 1.00 0.00 O ATOM 0 H ASP A 128 1.086 2.024 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.109 0.041 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.302 0.514 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.682 1.926 -2.913 1.00 0.00 H new ATOM 1970 N ARG A 129 0.287 -1.692 -2.537 1.00 0.00 N ATOM 1971 CA ARG A 129 1.149 -2.795 -2.935 1.00 0.00 C ATOM 1972 C ARG A 129 0.329 -3.890 -3.602 1.00 0.00 C ATOM 1973 O ARG A 129 -0.894 -3.909 -3.490 1.00 0.00 O ATOM 1974 CB ARG A 129 1.887 -3.363 -1.718 1.00 0.00 C ATOM 1975 CG ARG A 129 1.071 -4.360 -0.911 1.00 0.00 C ATOM 1976 CD ARG A 129 1.853 -5.636 -0.643 1.00 0.00 C ATOM 1977 NE ARG A 129 2.677 -6.024 -1.786 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.693 -6.879 -1.705 1.00 0.00 C ATOM 1979 NH1 ARG A 129 4.009 -7.433 -0.542 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.394 -7.180 -2.790 1.00 0.00 N ATOM 0 H ARG A 129 -0.686 -1.958 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 129 1.884 -2.419 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.804 -3.847 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.182 -2.539 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.776 -3.908 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.154 -4.601 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.489 -5.495 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.160 -6.443 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 129 2.461 -5.617 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.472 -7.204 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.789 -8.088 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.154 -6.756 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.173 -7.835 -2.728 1.00 0.00 H new ATOM 1994 N LEU A 130 1.004 -4.802 -4.284 1.00 0.00 N ATOM 1995 CA LEU A 130 0.320 -5.899 -4.957 1.00 0.00 C ATOM 1996 C LEU A 130 -0.166 -6.935 -3.948 1.00 0.00 C ATOM 1997 O LEU A 130 0.501 -7.201 -2.949 1.00 0.00 O ATOM 1998 CB LEU A 130 1.248 -6.549 -5.988 1.00 0.00 C ATOM 1999 CG LEU A 130 1.296 -5.862 -7.362 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.563 -6.699 -8.399 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.705 -4.456 -7.298 1.00 0.00 C ATOM 0 H LEU A 130 2.019 -4.806 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.550 -5.496 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.258 -6.573 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.937 -7.584 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 130 2.342 -5.773 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.606 -6.199 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.035 -7.679 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.478 -6.820 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.753 -3.996 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.334 -4.513 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.274 -3.854 -6.589 1.00 0.00 H new