USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1 K(o=-1,f=-0.41) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.9 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 120:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000801) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -113:sc= -0.848 (180deg=-4.04!) USER MOD Single : A 42 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.87) USER MOD Single : A 45 SER OG : rot -106:sc= 1.37 USER MOD Single : A 47 HIS : no HD1:sc= -0.0878 K(o=-0.088,f=-0.65) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -4.15! K(o=-4.1!,f=-1.9) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.05! C(o=-2!,f=-3.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.45 USER MOD Single : A 70 ASN : amide:sc= 0.518 X(o=0.52,f=0.35) USER MOD Single : A 83 SER OG : rot 107:sc= 0.375 USER MOD Single : A 84 HIS : no HD1:sc=-0.00669 K(o=-0.0067,f=-3.2!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.976! USER MOD Single : A 89 ASN : amide:sc= -4.05! K(o=-4!,f=-2.1) USER MOD Single : A 104 CYS SG : rot 3:sc= 0.228 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.763 -1.995 6.157 1.00 0.00 N ATOM 135 CA LYS A 11 -9.166 -0.828 5.515 1.00 0.00 C ATOM 136 C LYS A 11 -8.536 -1.237 4.188 1.00 0.00 C ATOM 137 O LYS A 11 -9.068 -0.931 3.123 1.00 0.00 O ATOM 138 CB LYS A 11 -8.119 -0.182 6.426 1.00 0.00 C ATOM 139 CG LYS A 11 -8.663 0.212 7.789 1.00 0.00 C ATOM 140 CD LYS A 11 -7.660 -0.081 8.891 1.00 0.00 C ATOM 141 CE LYS A 11 -8.303 0.004 10.267 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.735 1.390 10.593 1.00 0.00 N ATOM 0 HA LYS A 11 -9.949 -0.093 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.289 -0.875 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.717 0.704 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.909 1.274 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.589 -0.330 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.239 -1.076 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.834 0.627 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.164 -0.663 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.595 -0.342 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.168 1.405 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.910 2.023 10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.430 1.712 9.889 1.00 0.00 H new ATOM 155 N TRP A 12 -7.411 -1.948 4.271 1.00 0.00 N ATOM 156 CA TRP A 12 -6.702 -2.434 3.086 1.00 0.00 C ATOM 157 C TRP A 12 -7.706 -2.892 2.025 1.00 0.00 C ATOM 158 O TRP A 12 -8.640 -3.633 2.329 1.00 0.00 O ATOM 159 CB TRP A 12 -5.763 -3.594 3.460 1.00 0.00 C ATOM 160 CG TRP A 12 -4.954 -3.369 4.715 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.914 -2.245 5.493 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.059 -4.306 5.330 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.062 -2.429 6.554 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.523 -3.685 6.475 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.662 -5.610 5.026 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.612 -4.324 7.313 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.757 -6.243 5.858 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.241 -5.600 6.989 1.00 0.00 C ATOM 0 H TRP A 12 -6.968 -2.202 5.154 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.103 -1.619 2.680 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.357 -4.499 3.584 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.079 -3.773 2.630 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.473 -1.341 5.300 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.863 -1.742 7.282 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.055 -6.115 4.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.213 -3.830 8.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.443 -7.251 5.631 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.536 -6.122 7.619 1.00 0.00 H new ATOM 179 N ILE A 13 -7.530 -2.428 0.786 1.00 0.00 N ATOM 180 CA ILE A 13 -8.453 -2.781 -0.295 1.00 0.00 C ATOM 181 C ILE A 13 -7.734 -3.322 -1.529 1.00 0.00 C ATOM 182 O ILE A 13 -6.838 -2.682 -2.069 1.00 0.00 O ATOM 183 CB ILE A 13 -9.303 -1.567 -0.721 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.075 -0.384 0.237 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.771 -1.956 -0.780 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.339 0.350 0.642 1.00 0.00 C ATOM 0 H ILE A 13 -6.765 -1.813 0.508 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.093 -3.566 0.108 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.994 -1.249 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.579 -0.751 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.394 0.324 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.364 -1.093 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.906 -2.760 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.097 -2.295 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.085 1.167 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.827 0.751 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.015 -0.340 1.147 1.00 0.00 H new ATOM 198 N ASN A 14 -8.156 -4.501 -1.984 1.00 0.00 N ATOM 199 CA ASN A 14 -7.572 -5.129 -3.167 1.00 0.00 C ATOM 200 C ASN A 14 -8.502 -4.994 -4.368 1.00 0.00 C ATOM 201 O ASN A 14 -9.721 -4.906 -4.213 1.00 0.00 O ATOM 202 CB ASN A 14 -7.274 -6.605 -2.900 1.00 0.00 C ATOM 203 CG ASN A 14 -6.997 -7.381 -4.173 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.715 -8.326 -4.506 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.953 -6.989 -4.892 1.00 0.00 N ATOM 0 H ASN A 14 -8.903 -5.042 -1.549 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.637 -4.616 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.414 -6.684 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.120 -7.055 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.718 -7.475 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.385 -6.201 -4.579 1.00 0.00 H new ATOM 212 N PHE A 15 -7.922 -4.974 -5.565 1.00 0.00 N ATOM 213 CA PHE A 15 -8.703 -4.844 -6.790 1.00 0.00 C ATOM 214 C PHE A 15 -8.325 -5.931 -7.796 1.00 0.00 C ATOM 215 O PHE A 15 -8.272 -7.112 -7.449 1.00 0.00 O ATOM 216 CB PHE A 15 -8.500 -3.456 -7.404 1.00 0.00 C ATOM 217 CG PHE A 15 -8.422 -2.353 -6.388 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.572 -1.726 -5.934 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.198 -1.942 -5.886 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.501 -0.711 -5.000 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.120 -0.928 -4.952 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.274 -0.311 -4.508 1.00 0.00 C ATOM 0 H PHE A 15 -6.915 -5.046 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.756 -4.966 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.584 -3.460 -7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.321 -3.248 -8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.534 -2.035 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.293 -2.421 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.404 -0.230 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.159 -0.618 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.217 0.483 -3.778 1.00 0.00 H new ATOM 232 N GLN A 16 -8.065 -5.531 -9.040 1.00 0.00 N ATOM 233 CA GLN A 16 -7.695 -6.475 -10.089 1.00 0.00 C ATOM 234 C GLN A 16 -6.569 -7.392 -9.623 1.00 0.00 C ATOM 235 O GLN A 16 -6.640 -8.611 -9.786 1.00 0.00 O ATOM 236 CB GLN A 16 -7.266 -5.727 -11.352 1.00 0.00 C ATOM 237 CG GLN A 16 -8.297 -4.725 -11.846 1.00 0.00 C ATOM 238 CD GLN A 16 -9.277 -5.335 -12.830 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.007 -5.406 -14.028 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.423 -5.777 -12.326 1.00 0.00 N ATOM 0 H GLN A 16 -8.104 -4.558 -9.344 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.569 -7.086 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.330 -5.205 -11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.067 -6.450 -12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.846 -4.323 -10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.786 -3.887 -12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.604 -5.698 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.122 -6.196 -12.939 1.00 0.00 H new ATOM 249 N ARG A 17 -5.534 -6.799 -9.036 1.00 0.00 N ATOM 250 CA ARG A 17 -4.398 -7.567 -8.540 1.00 0.00 C ATOM 251 C ARG A 17 -3.538 -6.728 -7.603 1.00 0.00 C ATOM 252 O ARG A 17 -2.534 -7.204 -7.072 1.00 0.00 O ATOM 253 CB ARG A 17 -3.552 -8.084 -9.706 1.00 0.00 C ATOM 254 CG ARG A 17 -3.402 -9.596 -9.723 1.00 0.00 C ATOM 255 CD ARG A 17 -2.262 -10.053 -8.825 1.00 0.00 C ATOM 256 NE ARG A 17 -1.065 -10.389 -9.591 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.090 -11.168 -9.131 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.171 -11.690 -7.916 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.966 -11.425 -9.890 1.00 0.00 N ATOM 0 H ARG A 17 -5.459 -5.792 -8.893 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.787 -8.417 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.004 -7.761 -10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.563 -7.629 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.333 -10.059 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.220 -9.933 -10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.026 -9.265 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.580 -10.922 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.971 -10.005 -10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.983 -11.495 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.579 -12.287 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.031 -11.025 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.714 -12.022 -9.538 1.00 0.00 H new ATOM 273 N LYS A 18 -3.945 -5.482 -7.395 1.00 0.00 N ATOM 274 CA LYS A 18 -3.228 -4.581 -6.518 1.00 0.00 C ATOM 275 C LYS A 18 -4.085 -4.252 -5.307 1.00 0.00 C ATOM 276 O LYS A 18 -5.306 -4.361 -5.352 1.00 0.00 O ATOM 277 CB LYS A 18 -2.863 -3.300 -7.263 1.00 0.00 C ATOM 278 CG LYS A 18 -4.019 -2.326 -7.382 1.00 0.00 C ATOM 279 CD LYS A 18 -3.942 -1.524 -8.671 1.00 0.00 C ATOM 280 CE LYS A 18 -4.088 -0.034 -8.409 1.00 0.00 C ATOM 281 NZ LYS A 18 -5.245 0.550 -9.142 1.00 0.00 N ATOM 0 H LYS A 18 -4.774 -5.076 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.310 -5.066 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.036 -2.811 -6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.509 -3.557 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.961 -2.873 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.013 -1.647 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.989 -1.716 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.726 -1.853 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.213 0.136 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.173 0.478 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.309 1.567 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.114 0.411 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.121 0.080 -8.838 1.00 0.00 H new ATOM 294 N CYS A 19 -3.440 -3.853 -4.230 1.00 0.00 N ATOM 295 CA CYS A 19 -4.147 -3.514 -3.009 1.00 0.00 C ATOM 296 C CYS A 19 -3.691 -2.167 -2.473 1.00 0.00 C ATOM 297 O CYS A 19 -2.633 -1.657 -2.842 1.00 0.00 O ATOM 298 CB CYS A 19 -3.938 -4.604 -1.951 1.00 0.00 C ATOM 299 SG CYS A 19 -4.917 -4.374 -0.429 1.00 0.00 S ATOM 0 H CYS A 19 -2.426 -3.755 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.210 -3.447 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.190 -5.570 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.881 -4.639 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.670 -5.347 0.397 1.00 0.00 H new ATOM 304 N TYR A 20 -4.499 -1.610 -1.589 1.00 0.00 N ATOM 305 CA TYR A 20 -4.213 -0.334 -0.966 1.00 0.00 C ATOM 306 C TYR A 20 -4.235 -0.504 0.536 1.00 0.00 C ATOM 307 O TYR A 20 -4.892 -1.399 1.065 1.00 0.00 O ATOM 308 CB TYR A 20 -5.234 0.733 -1.387 1.00 0.00 C ATOM 309 CG TYR A 20 -4.917 1.423 -2.699 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.304 0.742 -3.744 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.239 2.761 -2.891 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.018 1.374 -4.939 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.957 3.400 -4.084 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.347 2.703 -5.103 1.00 0.00 C ATOM 315 OH TYR A 20 -4.064 3.336 -6.292 1.00 0.00 O ATOM 0 H TYR A 20 -5.375 -2.033 -1.283 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.228 0.001 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.216 0.267 -1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.299 1.486 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.047 -0.300 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.718 3.311 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.539 0.830 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.214 4.441 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.361 4.269 -6.245 1.00 0.00 H new ATOM 325 N TYR A 21 -3.505 0.348 1.206 1.00 0.00 N ATOM 326 CA TYR A 21 -3.409 0.311 2.651 1.00 0.00 C ATOM 327 C TYR A 21 -3.987 1.572 3.240 1.00 0.00 C ATOM 328 O TYR A 21 -3.485 2.648 2.983 1.00 0.00 O ATOM 329 CB TYR A 21 -1.948 0.197 3.091 1.00 0.00 C ATOM 330 CG TYR A 21 -1.406 -1.208 3.105 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.547 -2.007 4.228 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.743 -1.730 2.002 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.045 -3.290 4.256 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.235 -3.013 2.020 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.389 -3.792 3.150 1.00 0.00 C ATOM 336 OH TYR A 21 0.116 -5.072 3.175 1.00 0.00 O ATOM 0 H TYR A 21 -2.958 1.090 0.770 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.966 -0.558 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.333 0.803 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.849 0.621 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.059 -1.618 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.623 -1.123 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.164 -3.900 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.280 -3.406 1.156 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.302 -5.603 2.465 1.00 0.00 H new ATOM 346 N PHE A 22 -5.020 1.439 4.042 1.00 0.00 N ATOM 347 CA PHE A 22 -5.621 2.590 4.685 1.00 0.00 C ATOM 348 C PHE A 22 -5.687 2.316 6.179 1.00 0.00 C ATOM 349 O PHE A 22 -6.746 2.412 6.799 1.00 0.00 O ATOM 350 CB PHE A 22 -7.024 2.862 4.129 1.00 0.00 C ATOM 351 CG PHE A 22 -7.076 3.121 2.643 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.034 3.760 1.994 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.178 2.728 1.898 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.085 4.002 0.633 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.235 2.967 0.534 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.186 3.605 -0.098 1.00 0.00 C ATOM 0 H PHE A 22 -5.462 0.547 4.265 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.017 3.476 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.662 2.008 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.445 3.723 4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.168 4.074 2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.002 2.230 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.263 4.502 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.099 2.655 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.227 3.793 -1.161 1.00 0.00 H new ATOM 366 N GLY A 23 -4.539 1.949 6.744 1.00 0.00 N ATOM 367 CA GLY A 23 -4.473 1.628 8.152 1.00 0.00 C ATOM 368 C GLY A 23 -4.191 2.844 9.012 1.00 0.00 C ATOM 369 O GLY A 23 -3.891 3.917 8.492 1.00 0.00 O ATOM 0 H GLY A 23 -3.653 1.869 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.416 1.178 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.694 0.883 8.315 1.00 0.00 H new ATOM 373 N LYS A 24 -4.292 2.679 10.326 1.00 0.00 N ATOM 374 CA LYS A 24 -4.050 3.779 11.254 1.00 0.00 C ATOM 375 C LYS A 24 -2.699 3.630 11.948 1.00 0.00 C ATOM 376 O LYS A 24 -2.329 2.538 12.381 1.00 0.00 O ATOM 377 CB LYS A 24 -5.166 3.847 12.298 1.00 0.00 C ATOM 378 CG LYS A 24 -5.436 2.520 12.987 1.00 0.00 C ATOM 379 CD LYS A 24 -6.488 2.661 14.075 1.00 0.00 C ATOM 380 CE LYS A 24 -6.930 1.306 14.602 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.828 0.599 15.312 1.00 0.00 N ATOM 0 H LYS A 24 -4.539 1.796 10.773 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.038 4.705 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.903 4.591 13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.082 4.190 11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.768 1.788 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.511 2.139 13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.088 3.258 14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.351 3.198 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.773 1.438 15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.281 0.691 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.175 -0.313 15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.040 0.435 14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.498 1.181 16.108 1.00 0.00 H new ATOM 436 N GLN A 28 3.645 11.156 10.663 1.00 0.00 N ATOM 437 CA GLN A 28 4.257 12.048 9.682 1.00 0.00 C ATOM 438 C GLN A 28 4.250 11.414 8.296 1.00 0.00 C ATOM 439 O GLN A 28 4.000 10.216 8.154 1.00 0.00 O ATOM 440 CB GLN A 28 5.693 12.383 10.090 1.00 0.00 C ATOM 441 CG GLN A 28 5.792 13.191 11.374 1.00 0.00 C ATOM 442 CD GLN A 28 7.221 13.555 11.725 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.085 12.686 11.843 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.477 14.847 11.895 1.00 0.00 N ATOM 0 HA GLN A 28 3.671 12.967 9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.252 11.455 10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.170 12.940 9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.203 14.103 11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.355 12.620 12.193 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.730 15.533 11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.420 15.153 12.133 1.00 0.00 H new ATOM 453 N TRP A 29 4.528 12.219 7.274 1.00 0.00 N ATOM 454 CA TRP A 29 4.553 11.724 5.904 1.00 0.00 C ATOM 455 C TRP A 29 5.665 10.700 5.723 1.00 0.00 C ATOM 456 O TRP A 29 5.440 9.607 5.203 1.00 0.00 O ATOM 457 CB TRP A 29 4.746 12.870 4.912 1.00 0.00 C ATOM 458 CG TRP A 29 4.739 12.401 3.492 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.650 12.254 2.683 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.874 11.996 2.719 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.038 11.780 1.455 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.398 11.617 1.451 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.246 11.921 2.975 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.243 11.165 0.442 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.086 11.473 1.972 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.582 11.100 0.719 1.00 0.00 C ATOM 0 H TRP A 29 4.738 13.213 7.369 1.00 0.00 H new ATOM 0 HA TRP A 29 3.593 11.247 5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.955 13.606 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.690 13.373 5.121 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.632 12.478 2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.415 11.581 0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.643 12.207 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.857 10.876 -0.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.148 11.410 2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.264 10.754 -0.044 1.00 0.00 H new ATOM 477 N VAL A 30 6.864 11.064 6.158 1.00 0.00 N ATOM 478 CA VAL A 30 8.019 10.182 6.055 1.00 0.00 C ATOM 479 C VAL A 30 7.730 8.844 6.720 1.00 0.00 C ATOM 480 O VAL A 30 8.237 7.805 6.304 1.00 0.00 O ATOM 481 CB VAL A 30 9.267 10.809 6.700 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.820 11.915 5.818 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.939 11.341 8.086 1.00 0.00 C ATOM 0 H VAL A 30 7.062 11.968 6.587 1.00 0.00 H new ATOM 0 HA VAL A 30 8.215 10.029 4.994 1.00 0.00 H new ATOM 0 HB VAL A 30 10.030 10.037 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.703 12.348 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.092 11.504 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.063 12.688 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.833 11.781 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.161 12.100 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.588 10.524 8.716 1.00 0.00 H new ATOM 493 N HIS A 31 6.904 8.884 7.756 1.00 0.00 N ATOM 494 CA HIS A 31 6.534 7.676 8.477 1.00 0.00 C ATOM 495 C HIS A 31 5.603 6.817 7.631 1.00 0.00 C ATOM 496 O HIS A 31 5.573 5.594 7.772 1.00 0.00 O ATOM 497 CB HIS A 31 5.862 8.032 9.805 1.00 0.00 C ATOM 498 CG HIS A 31 6.799 8.013 10.973 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.898 8.839 11.069 1.00 0.00 N ATOM 500 CD2 HIS A 31 6.795 7.261 12.100 1.00 0.00 C ATOM 501 CE1 HIS A 31 8.530 8.597 12.204 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.882 7.645 12.847 1.00 0.00 N ATOM 0 H HIS A 31 6.478 9.739 8.115 1.00 0.00 H new ATOM 0 HA HIS A 31 7.440 7.108 8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.416 9.023 9.723 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.048 7.331 9.991 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.073 6.502 12.362 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.425 9.094 12.547 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.145 7.257 13.753 1.00 0.00 H new ATOM 511 N ALA A 32 4.845 7.463 6.746 1.00 0.00 N ATOM 512 CA ALA A 32 3.920 6.747 5.878 1.00 0.00 C ATOM 513 C ALA A 32 4.675 5.948 4.825 1.00 0.00 C ATOM 514 O ALA A 32 4.417 4.759 4.639 1.00 0.00 O ATOM 515 CB ALA A 32 2.955 7.720 5.217 1.00 0.00 C ATOM 0 H ALA A 32 4.855 8.474 6.614 1.00 0.00 H new ATOM 0 HA ALA A 32 3.348 6.049 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.270 7.171 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.387 8.247 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.516 8.441 4.622 1.00 0.00 H new ATOM 521 N ARG A 33 5.620 6.599 4.151 1.00 0.00 N ATOM 522 CA ARG A 33 6.419 5.935 3.131 1.00 0.00 C ATOM 523 C ARG A 33 7.204 4.785 3.744 1.00 0.00 C ATOM 524 O ARG A 33 7.328 3.716 3.144 1.00 0.00 O ATOM 525 CB ARG A 33 7.367 6.925 2.449 1.00 0.00 C ATOM 526 CG ARG A 33 8.347 7.591 3.398 1.00 0.00 C ATOM 527 CD ARG A 33 9.760 7.065 3.202 1.00 0.00 C ATOM 528 NE ARG A 33 10.251 7.308 1.849 1.00 0.00 N ATOM 529 CZ ARG A 33 11.229 8.163 1.562 1.00 0.00 C ATOM 530 NH1 ARG A 33 11.816 8.854 2.529 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.619 8.327 0.304 1.00 0.00 N ATOM 0 H ARG A 33 5.849 7.583 4.294 1.00 0.00 H new ATOM 0 HA ARG A 33 5.744 5.536 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.926 6.402 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.777 7.695 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.334 8.669 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.033 7.418 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.427 7.541 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.780 5.995 3.408 1.00 0.00 H new ATOM 0 HE ARG A 33 9.820 6.794 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.518 8.731 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.566 9.509 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.169 7.798 -0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.369 8.983 0.084 1.00 0.00 H new ATOM 545 N TYR A 34 7.714 5.000 4.953 1.00 0.00 N ATOM 546 CA TYR A 34 8.463 3.966 5.651 1.00 0.00 C ATOM 547 C TYR A 34 7.550 2.782 5.930 1.00 0.00 C ATOM 548 O TYR A 34 7.976 1.627 5.885 1.00 0.00 O ATOM 549 CB TYR A 34 9.044 4.508 6.958 1.00 0.00 C ATOM 550 CG TYR A 34 10.538 4.308 7.084 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.063 3.089 7.492 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.422 5.340 6.795 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.427 2.902 7.608 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.788 5.162 6.908 1.00 0.00 C ATOM 555 CZ TYR A 34 13.285 3.941 7.315 1.00 0.00 C ATOM 556 OH TYR A 34 14.644 3.759 7.429 1.00 0.00 O ATOM 0 H TYR A 34 7.622 5.877 5.466 1.00 0.00 H new ATOM 0 HA TYR A 34 9.292 3.643 5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.821 5.572 7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.548 4.019 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.394 2.273 7.723 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.036 6.297 6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.819 1.947 7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.462 5.974 6.679 1.00 0.00 H new ATOM 0 HH TYR A 34 15.107 4.588 7.185 1.00 0.00 H new ATOM 566 N ALA A 35 6.282 3.081 6.194 1.00 0.00 N ATOM 567 CA ALA A 35 5.294 2.047 6.450 1.00 0.00 C ATOM 568 C ALA A 35 5.057 1.242 5.182 1.00 0.00 C ATOM 569 O ALA A 35 4.881 0.024 5.225 1.00 0.00 O ATOM 570 CB ALA A 35 3.994 2.663 6.946 1.00 0.00 C ATOM 0 H ALA A 35 5.917 4.033 6.236 1.00 0.00 H new ATOM 0 HA ALA A 35 5.669 1.380 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.265 1.874 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.180 3.211 7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.604 3.346 6.191 1.00 0.00 H new ATOM 576 N CYS A 36 5.077 1.938 4.047 1.00 0.00 N ATOM 577 CA CYS A 36 4.890 1.304 2.755 1.00 0.00 C ATOM 578 C CYS A 36 5.944 0.232 2.549 1.00 0.00 C ATOM 579 O CYS A 36 5.634 -0.902 2.188 1.00 0.00 O ATOM 580 CB CYS A 36 4.988 2.339 1.636 1.00 0.00 C ATOM 581 SG CYS A 36 4.085 3.885 1.963 1.00 0.00 S ATOM 0 H CYS A 36 5.222 2.947 4.002 1.00 0.00 H new ATOM 0 HA CYS A 36 3.900 0.849 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.039 2.575 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.607 1.898 0.715 1.00 0.00 H new ATOM 586 N ASP A 37 7.193 0.610 2.788 1.00 0.00 N ATOM 587 CA ASP A 37 8.312 -0.308 2.641 1.00 0.00 C ATOM 588 C ASP A 37 8.103 -1.545 3.507 1.00 0.00 C ATOM 589 O ASP A 37 8.478 -2.654 3.125 1.00 0.00 O ATOM 590 CB ASP A 37 9.622 0.383 3.021 1.00 0.00 C ATOM 591 CG ASP A 37 10.606 0.434 1.868 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.352 1.188 0.905 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.628 -0.280 1.928 1.00 0.00 O ATOM 0 H ASP A 37 7.456 1.550 3.085 1.00 0.00 H new ATOM 0 HA ASP A 37 8.368 -0.617 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.410 1.397 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.077 -0.143 3.860 1.00 0.00 H new ATOM 598 N ASP A 38 7.495 -1.345 4.673 1.00 0.00 N ATOM 599 CA ASP A 38 7.226 -2.442 5.595 1.00 0.00 C ATOM 600 C ASP A 38 6.161 -3.375 5.025 1.00 0.00 C ATOM 601 O ASP A 38 6.116 -4.559 5.358 1.00 0.00 O ATOM 602 CB ASP A 38 6.773 -1.897 6.950 1.00 0.00 C ATOM 603 CG ASP A 38 7.582 -2.461 8.101 1.00 0.00 C ATOM 604 OD1 ASP A 38 7.324 -3.617 8.498 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.475 -1.749 8.605 1.00 0.00 O ATOM 0 H ASP A 38 7.179 -0.432 5.001 1.00 0.00 H new ATOM 0 HA ASP A 38 8.147 -3.008 5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.858 -0.810 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.720 -2.134 7.100 1.00 0.00 H new ATOM 610 N MET A 39 5.310 -2.830 4.160 1.00 0.00 N ATOM 611 CA MET A 39 4.248 -3.608 3.533 1.00 0.00 C ATOM 612 C MET A 39 4.655 -4.019 2.124 1.00 0.00 C ATOM 613 O MET A 39 3.949 -4.771 1.452 1.00 0.00 O ATOM 614 CB MET A 39 2.950 -2.800 3.491 1.00 0.00 C ATOM 615 CG MET A 39 2.542 -2.231 4.840 1.00 0.00 C ATOM 616 SD MET A 39 2.272 -3.513 6.081 1.00 0.00 S ATOM 617 CE MET A 39 3.202 -2.849 7.460 1.00 0.00 C ATOM 0 H MET A 39 5.336 -1.850 3.877 1.00 0.00 H new ATOM 0 HA MET A 39 4.081 -4.507 4.126 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.065 -1.981 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.148 -3.436 3.117 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.315 -1.548 5.191 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.630 -1.646 4.723 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.062 -3.488 7.660 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.546 -1.844 7.217 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.565 -2.811 8.344 1.00 0.00 H new ATOM 627 N GLU A 40 5.805 -3.509 1.692 1.00 0.00 N ATOM 628 CA GLU A 40 6.344 -3.799 0.367 1.00 0.00 C ATOM 629 C GLU A 40 5.481 -3.182 -0.727 1.00 0.00 C ATOM 630 O GLU A 40 5.111 -3.851 -1.693 1.00 0.00 O ATOM 631 CB GLU A 40 6.456 -5.307 0.151 1.00 0.00 C ATOM 632 CG GLU A 40 7.550 -5.963 0.977 1.00 0.00 C ATOM 633 CD GLU A 40 7.061 -7.189 1.722 1.00 0.00 C ATOM 634 OE1 GLU A 40 6.479 -7.026 2.815 1.00 0.00 O ATOM 635 OE2 GLU A 40 7.259 -8.312 1.212 1.00 0.00 O ATOM 0 H GLU A 40 6.388 -2.885 2.249 1.00 0.00 H new ATOM 0 HA GLU A 40 7.339 -3.356 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.501 -5.772 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.645 -5.501 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.375 -6.245 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.943 -5.240 1.692 1.00 0.00 H new ATOM 642 N GLY A 41 5.168 -1.904 -0.570 1.00 0.00 N ATOM 643 CA GLY A 41 4.353 -1.217 -1.553 1.00 0.00 C ATOM 644 C GLY A 41 4.920 0.126 -1.961 1.00 0.00 C ATOM 645 O GLY A 41 6.071 0.221 -2.388 1.00 0.00 O ATOM 0 H GLY A 41 5.463 -1.330 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.253 -1.846 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.351 -1.074 -1.149 1.00 0.00 H new ATOM 649 N GLN A 42 4.097 1.159 -1.852 1.00 0.00 N ATOM 650 CA GLN A 42 4.491 2.507 -2.232 1.00 0.00 C ATOM 651 C GLN A 42 3.565 3.498 -1.569 1.00 0.00 C ATOM 652 O GLN A 42 2.463 3.133 -1.174 1.00 0.00 O ATOM 653 CB GLN A 42 4.406 2.680 -3.749 1.00 0.00 C ATOM 654 CG GLN A 42 4.639 4.109 -4.219 1.00 0.00 C ATOM 655 CD GLN A 42 4.371 4.287 -5.699 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.075 3.733 -6.543 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.344 5.064 -6.023 1.00 0.00 N ATOM 0 H GLN A 42 3.143 1.087 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 42 5.519 2.679 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.141 2.028 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.424 2.352 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.995 4.783 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.668 4.395 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.786 5.504 -5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.113 5.221 -7.004 1.00 0.00 H new ATOM 666 N LEU A 43 3.968 4.750 -1.456 1.00 0.00 N ATOM 667 CA LEU A 43 3.074 5.698 -0.852 1.00 0.00 C ATOM 668 C LEU A 43 2.015 6.025 -1.890 1.00 0.00 C ATOM 669 O LEU A 43 2.299 6.614 -2.932 1.00 0.00 O ATOM 670 CB LEU A 43 3.840 6.958 -0.425 1.00 0.00 C ATOM 671 CG LEU A 43 3.299 7.722 0.794 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.613 6.795 1.776 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.426 8.469 1.485 1.00 0.00 C ATOM 0 H LEU A 43 4.870 5.116 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 43 2.613 5.289 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.871 6.673 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.864 7.644 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 43 2.557 8.436 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.244 7.372 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.777 6.298 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.324 6.047 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.031 9.007 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.184 7.759 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.873 9.178 0.789 1.00 0.00 H new ATOM 685 N VAL A 44 0.803 5.584 -1.578 1.00 0.00 N ATOM 686 CA VAL A 44 -0.375 5.739 -2.429 1.00 0.00 C ATOM 687 C VAL A 44 -0.125 6.533 -3.700 1.00 0.00 C ATOM 688 O VAL A 44 -0.037 5.967 -4.790 1.00 0.00 O ATOM 689 CB VAL A 44 -1.522 6.389 -1.655 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.693 5.430 -1.559 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.049 6.815 -0.275 1.00 0.00 C ATOM 0 H VAL A 44 0.605 5.096 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.640 4.726 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.854 7.280 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.505 5.902 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.037 5.174 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.380 4.524 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.875 7.277 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.698 5.942 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.235 7.533 -0.375 1.00 0.00 H new ATOM 701 N SER A 45 -0.049 7.845 -3.555 1.00 0.00 N ATOM 702 CA SER A 45 0.151 8.731 -4.695 1.00 0.00 C ATOM 703 C SER A 45 -1.072 8.672 -5.606 1.00 0.00 C ATOM 704 O SER A 45 -0.961 8.410 -6.804 1.00 0.00 O ATOM 705 CB SER A 45 1.408 8.339 -5.474 1.00 0.00 C ATOM 706 OG SER A 45 2.365 9.383 -5.459 1.00 0.00 O ATOM 0 H SER A 45 -0.123 8.324 -2.657 1.00 0.00 H new ATOM 0 HA SER A 45 0.283 9.749 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.842 7.438 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.142 8.101 -6.504 1.00 0.00 H new ATOM 0 HG SER A 45 2.390 9.816 -6.338 1.00 0.00 H new ATOM 712 N ILE A 46 -2.240 8.901 -5.012 1.00 0.00 N ATOM 713 CA ILE A 46 -3.506 8.861 -5.741 1.00 0.00 C ATOM 714 C ILE A 46 -3.439 9.685 -7.022 1.00 0.00 C ATOM 715 O ILE A 46 -2.844 10.763 -7.051 1.00 0.00 O ATOM 716 CB ILE A 46 -4.692 9.365 -4.884 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.209 9.918 -3.536 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.706 8.249 -4.674 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.910 8.853 -2.500 1.00 0.00 C ATOM 0 H ILE A 46 -2.337 9.118 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.675 7.813 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.176 10.179 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.310 10.512 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.968 10.592 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.534 8.619 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.083 7.914 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.227 7.414 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.575 9.327 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.812 8.273 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.128 8.192 -2.873 1.00 0.00 H new ATOM 731 N HIS A 47 -4.055 9.166 -8.079 1.00 0.00 N ATOM 732 CA HIS A 47 -4.070 9.847 -9.369 1.00 0.00 C ATOM 733 C HIS A 47 -5.479 9.886 -9.950 1.00 0.00 C ATOM 734 O HIS A 47 -5.707 10.471 -11.008 1.00 0.00 O ATOM 735 CB HIS A 47 -3.124 9.149 -10.347 1.00 0.00 C ATOM 736 CG HIS A 47 -3.238 7.656 -10.329 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.658 6.868 -9.358 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.871 6.805 -11.172 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.927 5.598 -9.604 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.662 5.533 -10.698 1.00 0.00 N ATOM 0 H HIS A 47 -4.551 8.275 -8.068 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.733 10.872 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.328 9.508 -11.356 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.098 9.430 -10.110 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.435 7.076 -12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.601 4.756 -9.011 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.017 4.677 -11.123 1.00 0.00 H new ATOM 749 N SER A 48 -6.422 9.264 -9.250 1.00 0.00 N ATOM 750 CA SER A 48 -7.806 9.231 -9.697 1.00 0.00 C ATOM 751 C SER A 48 -8.716 9.864 -8.657 1.00 0.00 C ATOM 752 O SER A 48 -8.739 9.435 -7.503 1.00 0.00 O ATOM 753 CB SER A 48 -8.245 7.790 -9.969 1.00 0.00 C ATOM 754 OG SER A 48 -7.467 7.206 -10.999 1.00 0.00 O ATOM 0 H SER A 48 -6.251 8.776 -8.371 1.00 0.00 H new ATOM 0 HA SER A 48 -7.881 9.802 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.150 7.199 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.298 7.774 -10.251 1.00 0.00 H new ATOM 0 HG SER A 48 -7.766 6.285 -11.153 1.00 0.00 H new ATOM 760 N PRO A 49 -9.486 10.896 -9.047 1.00 0.00 N ATOM 761 CA PRO A 49 -10.403 11.577 -8.133 1.00 0.00 C ATOM 762 C PRO A 49 -11.229 10.581 -7.332 1.00 0.00 C ATOM 763 O PRO A 49 -11.638 10.858 -6.205 1.00 0.00 O ATOM 764 CB PRO A 49 -11.291 12.392 -9.071 1.00 0.00 C ATOM 765 CG PRO A 49 -10.425 12.675 -10.250 1.00 0.00 C ATOM 766 CD PRO A 49 -9.529 11.474 -10.405 1.00 0.00 C ATOM 0 HA PRO A 49 -9.886 12.187 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.183 11.835 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.630 13.313 -8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.025 12.832 -11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.839 13.581 -10.095 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.930 10.766 -11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.535 11.757 -10.752 1.00 0.00 H new ATOM 774 N GLU A 50 -11.457 9.411 -7.922 1.00 0.00 N ATOM 775 CA GLU A 50 -12.217 8.360 -7.266 1.00 0.00 C ATOM 776 C GLU A 50 -11.401 7.717 -6.159 1.00 0.00 C ATOM 777 O GLU A 50 -11.896 7.509 -5.053 1.00 0.00 O ATOM 778 CB GLU A 50 -12.642 7.292 -8.271 1.00 0.00 C ATOM 779 CG GLU A 50 -13.324 6.099 -7.628 1.00 0.00 C ATOM 780 CD GLU A 50 -13.300 4.868 -8.511 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.290 4.134 -8.480 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.292 4.636 -9.235 1.00 0.00 O ATOM 0 H GLU A 50 -11.124 9.170 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.108 8.815 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.318 7.738 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.764 6.948 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.834 5.872 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.358 6.357 -7.398 1.00 0.00 H new ATOM 789 N GLU A 51 -10.151 7.393 -6.468 1.00 0.00 N ATOM 790 CA GLU A 51 -9.272 6.764 -5.503 1.00 0.00 C ATOM 791 C GLU A 51 -9.030 7.688 -4.318 1.00 0.00 C ATOM 792 O GLU A 51 -9.128 7.270 -3.166 1.00 0.00 O ATOM 793 CB GLU A 51 -7.946 6.381 -6.161 1.00 0.00 C ATOM 794 CG GLU A 51 -8.086 5.318 -7.239 1.00 0.00 C ATOM 795 CD GLU A 51 -8.347 3.939 -6.668 1.00 0.00 C ATOM 796 OE1 GLU A 51 -9.527 3.615 -6.415 1.00 0.00 O ATOM 797 OE2 GLU A 51 -7.373 3.182 -6.475 1.00 0.00 O ATOM 0 H GLU A 51 -9.728 7.558 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.753 5.857 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.496 7.272 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.260 6.021 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.902 5.590 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.176 5.292 -7.839 1.00 0.00 H new ATOM 804 N GLN A 52 -8.728 8.950 -4.609 1.00 0.00 N ATOM 805 CA GLN A 52 -8.489 9.933 -3.564 1.00 0.00 C ATOM 806 C GLN A 52 -9.722 10.069 -2.685 1.00 0.00 C ATOM 807 O GLN A 52 -9.623 10.130 -1.463 1.00 0.00 O ATOM 808 CB GLN A 52 -8.098 11.289 -4.175 1.00 0.00 C ATOM 809 CG GLN A 52 -9.278 12.118 -4.673 1.00 0.00 C ATOM 810 CD GLN A 52 -9.982 12.923 -3.586 1.00 0.00 C ATOM 811 OE1 GLN A 52 -11.032 13.516 -3.833 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.419 12.957 -2.381 1.00 0.00 N ATOM 0 H GLN A 52 -8.644 9.313 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.659 9.593 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.553 11.867 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.414 11.116 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.926 12.802 -5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.002 11.452 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.548 12.454 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.858 13.486 -1.628 1.00 0.00 H new ATOM 821 N ASP A 53 -10.886 10.088 -3.325 1.00 0.00 N ATOM 822 CA ASP A 53 -12.153 10.187 -2.621 1.00 0.00 C ATOM 823 C ASP A 53 -12.406 8.906 -1.841 1.00 0.00 C ATOM 824 O ASP A 53 -12.987 8.923 -0.757 1.00 0.00 O ATOM 825 CB ASP A 53 -13.295 10.435 -3.608 1.00 0.00 C ATOM 826 CG ASP A 53 -14.578 10.849 -2.917 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.526 11.759 -2.063 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.637 10.265 -3.229 1.00 0.00 O ATOM 0 H ASP A 53 -10.975 10.035 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.107 11.027 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.999 11.211 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.474 9.529 -4.187 1.00 0.00 H new ATOM 833 N PHE A 54 -11.974 7.795 -2.425 1.00 0.00 N ATOM 834 CA PHE A 54 -12.148 6.485 -1.829 1.00 0.00 C ATOM 835 C PHE A 54 -11.466 6.399 -0.471 1.00 0.00 C ATOM 836 O PHE A 54 -12.081 6.010 0.521 1.00 0.00 O ATOM 837 CB PHE A 54 -11.543 5.441 -2.765 1.00 0.00 C ATOM 838 CG PHE A 54 -12.528 4.440 -3.282 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.829 3.308 -2.548 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.144 4.630 -4.505 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.732 2.379 -3.026 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.047 3.708 -4.992 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.343 2.579 -4.251 1.00 0.00 C ATOM 0 H PHE A 54 -11.494 7.781 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.213 6.304 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.081 5.951 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.748 4.914 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.353 3.149 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.915 5.511 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.961 1.498 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.521 3.868 -5.949 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.050 1.855 -4.628 1.00 0.00 H new ATOM 853 N LEU A 55 -10.198 6.781 -0.434 1.00 0.00 N ATOM 854 CA LEU A 55 -9.434 6.764 0.804 1.00 0.00 C ATOM 855 C LEU A 55 -9.860 7.907 1.709 1.00 0.00 C ATOM 856 O LEU A 55 -9.904 7.763 2.928 1.00 0.00 O ATOM 857 CB LEU A 55 -7.942 6.857 0.520 1.00 0.00 C ATOM 858 CG LEU A 55 -7.572 7.743 -0.659 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.954 9.036 -0.168 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.626 7.009 -1.588 1.00 0.00 C ATOM 0 H LEU A 55 -9.676 7.107 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.634 5.819 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.439 7.233 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.558 5.853 0.337 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.476 7.988 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.693 9.662 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.668 9.564 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.055 8.814 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.368 7.654 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.720 6.740 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.109 6.105 -1.959 1.00 0.00 H new ATOM 872 N THR A 56 -10.172 9.047 1.099 1.00 0.00 N ATOM 873 CA THR A 56 -10.595 10.217 1.848 1.00 0.00 C ATOM 874 C THR A 56 -11.861 9.897 2.632 1.00 0.00 C ATOM 875 O THR A 56 -12.021 10.317 3.778 1.00 0.00 O ATOM 876 CB THR A 56 -10.829 11.399 0.896 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.934 12.460 1.178 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.232 11.961 0.951 1.00 0.00 C ATOM 0 H THR A 56 -10.139 9.181 0.088 1.00 0.00 H new ATOM 0 HA THR A 56 -9.811 10.496 2.552 1.00 0.00 H new ATOM 0 HB THR A 56 -10.662 10.990 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.100 13.201 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.319 12.792 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.946 11.183 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.443 12.313 1.961 1.00 0.00 H new ATOM 886 N LYS A 57 -12.748 9.130 2.008 1.00 0.00 N ATOM 887 CA LYS A 57 -13.988 8.726 2.643 1.00 0.00 C ATOM 888 C LYS A 57 -13.711 7.626 3.657 1.00 0.00 C ATOM 889 O LYS A 57 -14.349 7.555 4.708 1.00 0.00 O ATOM 890 CB LYS A 57 -14.994 8.237 1.597 1.00 0.00 C ATOM 891 CG LYS A 57 -16.401 8.770 1.810 1.00 0.00 C ATOM 892 CD LYS A 57 -16.543 10.192 1.293 1.00 0.00 C ATOM 893 CE LYS A 57 -16.765 10.219 -0.210 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.174 9.899 -0.570 1.00 0.00 N ATOM 0 H LYS A 57 -12.627 8.776 1.059 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.417 9.587 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.648 8.533 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.021 7.147 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.117 8.124 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.645 8.742 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.379 10.681 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.647 10.761 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.506 11.205 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.097 9.503 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.283 9.928 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.414 8.948 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.811 10.597 -0.135 1.00 0.00 H new ATOM 907 N HIS A 58 -12.744 6.773 3.331 1.00 0.00 N ATOM 908 CA HIS A 58 -12.362 5.677 4.206 1.00 0.00 C ATOM 909 C HIS A 58 -11.574 6.194 5.404 1.00 0.00 C ATOM 910 O HIS A 58 -11.511 5.541 6.446 1.00 0.00 O ATOM 911 CB HIS A 58 -11.527 4.652 3.438 1.00 0.00 C ATOM 912 CG HIS A 58 -11.687 3.251 3.942 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.464 2.305 3.304 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.164 2.633 5.028 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.412 1.169 3.976 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.630 1.342 5.026 1.00 0.00 N ATOM 0 H HIS A 58 -12.211 6.823 2.463 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.271 5.197 4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.806 4.685 2.385 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.476 4.933 3.498 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.995 2.459 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.503 3.074 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.922 0.254 3.712 1.00 0.00 H new ATOM 978 N GLY A 63 -8.411 11.818 7.395 1.00 0.00 N ATOM 979 CA GLY A 63 -7.115 12.224 6.882 1.00 0.00 C ATOM 980 C GLY A 63 -6.214 11.047 6.562 1.00 0.00 C ATOM 981 O GLY A 63 -6.071 10.128 7.368 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.257 12.822 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.623 12.863 7.615 1.00 0.00 H new ATOM 985 N SER A 64 -5.604 11.081 5.382 1.00 0.00 N ATOM 986 CA SER A 64 -4.706 10.016 4.948 1.00 0.00 C ATOM 987 C SER A 64 -3.431 10.597 4.348 1.00 0.00 C ATOM 988 O SER A 64 -3.388 11.769 3.975 1.00 0.00 O ATOM 989 CB SER A 64 -5.399 9.110 3.927 1.00 0.00 C ATOM 990 OG SER A 64 -5.644 7.825 4.467 1.00 0.00 O ATOM 0 H SER A 64 -5.716 11.837 4.707 1.00 0.00 H new ATOM 0 HA SER A 64 -4.441 9.421 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.341 9.562 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.778 9.021 3.036 1.00 0.00 H new ATOM 0 HG SER A 64 -6.089 7.267 3.795 1.00 0.00 H new ATOM 996 N TRP A 65 -2.395 9.769 4.252 1.00 0.00 N ATOM 997 CA TRP A 65 -1.121 10.201 3.691 1.00 0.00 C ATOM 998 C TRP A 65 -0.972 9.673 2.274 1.00 0.00 C ATOM 999 O TRP A 65 -1.214 8.498 2.013 1.00 0.00 O ATOM 1000 CB TRP A 65 0.038 9.710 4.561 1.00 0.00 C ATOM 1001 CG TRP A 65 0.452 10.698 5.610 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.054 11.906 5.407 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.294 10.561 7.027 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.280 12.528 6.611 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.822 11.722 7.620 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.243 9.569 7.851 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.828 11.918 8.999 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.238 9.765 9.219 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.295 10.931 9.782 1.00 0.00 C ATOM 0 H TRP A 65 -2.414 8.795 4.556 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.100 11.291 3.667 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.250 8.776 5.044 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.893 9.488 3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.315 12.313 4.441 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.718 13.441 6.734 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.655 8.665 7.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.239 12.817 9.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.653 9.005 9.865 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.285 11.053 10.855 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.588 10.549 1.359 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.428 10.167 -0.034 1.00 0.00 C ATOM 1022 C ILE A 66 1.021 10.257 -0.477 1.00 0.00 C ATOM 1023 O ILE A 66 1.860 10.823 0.217 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.292 11.034 -0.958 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.617 12.384 -1.197 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.677 11.212 -0.356 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.529 13.421 -1.811 1.00 0.00 C ATOM 0 H ILE A 66 -0.382 11.528 1.556 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.756 9.130 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.400 10.536 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.238 12.763 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.244 12.239 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.285 11.829 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.149 10.237 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.592 11.698 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.979 14.352 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.889 13.064 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.378 13.596 -1.150 1.00 0.00 H new ATOM 1039 N GLY A 67 1.298 9.685 -1.640 1.00 0.00 N ATOM 1040 CA GLY A 67 2.643 9.697 -2.178 1.00 0.00 C ATOM 1041 C GLY A 67 3.036 11.042 -2.758 1.00 0.00 C ATOM 1042 O GLY A 67 3.433 11.127 -3.919 1.00 0.00 O ATOM 0 H GLY A 67 0.610 9.210 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.346 9.428 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.725 8.935 -2.953 1.00 0.00 H new ATOM 1046 N LEU A 68 2.933 12.096 -1.954 1.00 0.00 N ATOM 1047 CA LEU A 68 3.291 13.433 -2.415 1.00 0.00 C ATOM 1048 C LEU A 68 4.318 14.096 -1.501 1.00 0.00 C ATOM 1049 O LEU A 68 4.108 14.231 -0.296 1.00 0.00 O ATOM 1050 CB LEU A 68 2.047 14.323 -2.511 1.00 0.00 C ATOM 1051 CG LEU A 68 2.195 15.563 -3.399 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.097 16.600 -2.746 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.737 15.173 -4.758 1.00 0.00 C ATOM 0 H LEU A 68 2.608 12.051 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 68 3.737 13.319 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.219 13.723 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.774 14.646 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 68 1.208 16.008 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.184 17.469 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.669 16.905 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.085 16.170 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.837 16.063 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.713 14.702 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.052 14.473 -5.236 1.00 0.00 H new ATOM 1065 N ARG A 69 5.412 14.539 -2.108 1.00 0.00 N ATOM 1066 CA ARG A 69 6.478 15.234 -1.399 1.00 0.00 C ATOM 1067 C ARG A 69 7.006 16.381 -2.261 1.00 0.00 C ATOM 1068 O ARG A 69 7.469 16.156 -3.378 1.00 0.00 O ATOM 1069 CB ARG A 69 7.608 14.260 -1.049 1.00 0.00 C ATOM 1070 CG ARG A 69 8.930 14.941 -0.730 1.00 0.00 C ATOM 1071 CD ARG A 69 9.972 14.663 -1.802 1.00 0.00 C ATOM 1072 NE ARG A 69 11.327 14.651 -1.256 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.271 15.518 -1.608 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.010 16.462 -2.503 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.479 15.442 -1.067 1.00 0.00 N ATOM 0 H ARG A 69 5.585 14.426 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 69 6.081 15.644 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.304 13.659 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.755 13.574 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.775 16.016 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.297 14.592 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.762 13.702 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.902 15.421 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 69 11.562 13.937 -0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.083 16.524 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.737 17.126 -2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.685 14.717 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.202 16.108 -1.338 1.00 0.00 H new ATOM 1089 N ASN A 70 6.943 17.606 -1.752 1.00 0.00 N ATOM 1090 CA ASN A 70 7.428 18.755 -2.512 1.00 0.00 C ATOM 1091 C ASN A 70 8.950 18.747 -2.590 1.00 0.00 C ATOM 1092 O ASN A 70 9.627 18.309 -1.660 1.00 0.00 O ATOM 1093 CB ASN A 70 6.948 20.065 -1.890 1.00 0.00 C ATOM 1094 CG ASN A 70 5.654 20.560 -2.494 1.00 0.00 C ATOM 1095 OD1 ASN A 70 4.679 19.818 -2.606 1.00 0.00 O ATOM 1096 ND2 ASN A 70 5.643 21.828 -2.886 1.00 0.00 N ATOM 0 H ASN A 70 6.567 17.829 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 70 7.022 18.679 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.813 19.925 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.718 20.826 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.801 22.226 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.477 22.404 -2.772 1.00 0.00 H new ATOM 1196 N PHE A 77 5.369 19.993 -6.630 1.00 0.00 N ATOM 1197 CA PHE A 77 4.996 18.800 -5.883 1.00 0.00 C ATOM 1198 C PHE A 77 5.386 17.555 -6.666 1.00 0.00 C ATOM 1199 O PHE A 77 4.940 17.353 -7.795 1.00 0.00 O ATOM 1200 CB PHE A 77 3.485 18.772 -5.591 1.00 0.00 C ATOM 1201 CG PHE A 77 2.877 20.079 -5.132 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.623 21.249 -5.066 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.538 20.132 -4.779 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.048 22.438 -4.663 1.00 0.00 C ATOM 1205 CE2 PHE A 77 0.960 21.320 -4.371 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.715 22.474 -4.315 1.00 0.00 C ATOM 0 HA PHE A 77 5.528 18.819 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.966 18.449 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.296 18.018 -4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.669 21.228 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.939 19.235 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.642 23.339 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.084 21.345 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.263 23.402 -3.999 1.00 0.00 H new ATOM 1216 N ILE A 78 6.225 16.728 -6.063 1.00 0.00 N ATOM 1217 CA ILE A 78 6.686 15.505 -6.697 1.00 0.00 C ATOM 1218 C ILE A 78 6.276 14.287 -5.882 1.00 0.00 C ATOM 1219 O ILE A 78 6.312 14.311 -4.656 1.00 0.00 O ATOM 1220 CB ILE A 78 8.217 15.527 -6.889 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.549 15.751 -8.373 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.858 14.251 -6.349 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.431 14.685 -8.996 1.00 0.00 C ATOM 0 H ILE A 78 6.602 16.884 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 78 6.217 15.440 -7.679 1.00 0.00 H new ATOM 0 HB ILE A 78 8.636 16.355 -6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.617 15.805 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.042 16.718 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.937 14.295 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.642 14.158 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.453 13.388 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.611 14.928 -10.043 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.382 14.643 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.935 13.717 -8.928 1.00 0.00 H new ATOM 1235 N TRP A 79 5.885 13.222 -6.567 1.00 0.00 N ATOM 1236 CA TRP A 79 5.465 12.004 -5.893 1.00 0.00 C ATOM 1237 C TRP A 79 6.668 11.254 -5.335 1.00 0.00 C ATOM 1238 O TRP A 79 7.776 11.358 -5.861 1.00 0.00 O ATOM 1239 CB TRP A 79 4.698 11.088 -6.854 1.00 0.00 C ATOM 1240 CG TRP A 79 3.386 11.646 -7.323 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.900 12.904 -7.109 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.394 10.960 -8.095 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.666 13.040 -7.696 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.334 11.861 -8.308 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.300 9.670 -8.626 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.195 11.512 -9.029 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.169 9.326 -9.342 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.130 10.243 -9.538 1.00 0.00 C ATOM 0 H TRP A 79 5.850 13.177 -7.585 1.00 0.00 H new ATOM 0 HA TRP A 79 4.809 12.290 -5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.325 10.885 -7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.518 10.133 -6.361 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.412 13.679 -6.558 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.091 13.882 -7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.097 8.956 -8.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.609 12.217 -9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.086 8.333 -9.757 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.741 9.943 -10.102 1.00 0.00 H new ATOM 1259 N VAL A 80 6.439 10.498 -4.267 1.00 0.00 N ATOM 1260 CA VAL A 80 7.497 9.719 -3.634 1.00 0.00 C ATOM 1261 C VAL A 80 8.094 8.726 -4.627 1.00 0.00 C ATOM 1262 O VAL A 80 9.249 8.317 -4.500 1.00 0.00 O ATOM 1263 CB VAL A 80 6.954 8.954 -2.409 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.565 8.423 -2.700 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.891 7.826 -1.999 1.00 0.00 C ATOM 0 H VAL A 80 5.527 10.408 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 80 8.272 10.411 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 80 6.895 9.650 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.191 7.885 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.898 9.255 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.605 7.747 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.479 7.307 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.998 7.124 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.867 8.238 -1.744 1.00 0.00 H new ATOM 1275 N ASP A 81 7.296 8.349 -5.621 1.00 0.00 N ATOM 1276 CA ASP A 81 7.735 7.407 -6.643 1.00 0.00 C ATOM 1277 C ASP A 81 8.636 8.095 -7.659 1.00 0.00 C ATOM 1278 O ASP A 81 9.175 7.456 -8.564 1.00 0.00 O ATOM 1279 CB ASP A 81 6.526 6.790 -7.351 1.00 0.00 C ATOM 1280 CG ASP A 81 6.888 5.542 -8.133 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.524 4.639 -7.549 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.537 5.469 -9.329 1.00 0.00 O ATOM 0 H ASP A 81 6.340 8.683 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 81 8.303 6.615 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.763 6.544 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.090 7.525 -8.027 1.00 0.00 H new ATOM 1287 N GLY A 82 8.798 9.403 -7.498 1.00 0.00 N ATOM 1288 CA GLY A 82 9.638 10.166 -8.398 1.00 0.00 C ATOM 1289 C GLY A 82 8.899 10.624 -9.640 1.00 0.00 C ATOM 1290 O GLY A 82 9.492 10.739 -10.713 1.00 0.00 O ATOM 0 H GLY A 82 8.360 9.950 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.031 11.036 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.494 9.559 -8.693 1.00 0.00 H new ATOM 1294 N SER A 83 7.602 10.883 -9.499 1.00 0.00 N ATOM 1295 CA SER A 83 6.789 11.330 -10.624 1.00 0.00 C ATOM 1296 C SER A 83 6.011 12.596 -10.276 1.00 0.00 C ATOM 1297 O SER A 83 5.215 12.606 -9.341 1.00 0.00 O ATOM 1298 CB SER A 83 5.822 10.224 -11.051 1.00 0.00 C ATOM 1299 OG SER A 83 5.404 9.453 -9.937 1.00 0.00 O ATOM 0 H SER A 83 7.094 10.791 -8.620 1.00 0.00 H new ATOM 0 HA SER A 83 7.460 11.560 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.953 10.665 -11.539 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.305 9.578 -11.784 1.00 0.00 H new ATOM 0 HG SER A 83 4.473 9.670 -9.719 1.00 0.00 H new ATOM 1305 N HIS A 84 6.245 13.661 -11.036 1.00 0.00 N ATOM 1306 CA HIS A 84 5.561 14.929 -10.807 1.00 0.00 C ATOM 1307 C HIS A 84 4.047 14.747 -10.847 1.00 0.00 C ATOM 1308 O HIS A 84 3.529 13.938 -11.617 1.00 0.00 O ATOM 1309 CB HIS A 84 5.990 15.961 -11.851 1.00 0.00 C ATOM 1310 CG HIS A 84 7.474 16.061 -12.024 1.00 0.00 C ATOM 1311 ND1 HIS A 84 8.228 15.084 -12.639 1.00 0.00 N ATOM 1312 CD2 HIS A 84 8.345 17.031 -11.658 1.00 0.00 C ATOM 1313 CE1 HIS A 84 9.498 15.448 -12.644 1.00 0.00 C ATOM 1314 NE2 HIS A 84 9.596 16.625 -12.055 1.00 0.00 N ATOM 0 H HIS A 84 6.903 13.671 -11.816 1.00 0.00 H new ATOM 0 HA HIS A 84 5.839 15.288 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.538 15.705 -12.809 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.600 16.938 -11.565 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.102 17.952 -11.149 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.317 14.879 -13.059 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.460 17.148 -11.917 1.00 0.00 H new ATOM 1323 N VAL A 85 3.347 15.506 -10.010 1.00 0.00 N ATOM 1324 CA VAL A 85 1.890 15.438 -9.942 1.00 0.00 C ATOM 1325 C VAL A 85 1.261 15.640 -11.318 1.00 0.00 C ATOM 1326 O VAL A 85 1.850 16.275 -12.192 1.00 0.00 O ATOM 1327 CB VAL A 85 1.327 16.493 -8.969 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.169 16.311 -8.786 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.040 16.419 -7.631 1.00 0.00 C ATOM 0 H VAL A 85 3.766 16.178 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 85 1.636 14.443 -9.577 1.00 0.00 H new ATOM 0 HB VAL A 85 1.501 17.480 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.546 17.066 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.669 16.418 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.368 15.318 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.629 17.171 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.899 15.429 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.104 16.604 -7.775 1.00 0.00 H new ATOM 1339 N ASP A 86 0.062 15.092 -11.503 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.644 15.210 -12.774 1.00 0.00 C ATOM 1341 C ASP A 86 -2.025 15.832 -12.585 1.00 0.00 C ATOM 1342 O ASP A 86 -2.391 16.774 -13.288 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.778 13.836 -13.434 1.00 0.00 C ATOM 1344 CG ASP A 86 0.563 13.252 -13.831 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.175 12.551 -12.999 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.001 13.497 -14.975 1.00 0.00 O ATOM 0 H ASP A 86 -0.439 14.563 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.061 15.865 -13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.279 13.154 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.410 13.921 -14.318 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.791 15.298 -11.638 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.135 15.802 -11.367 1.00 0.00 C ATOM 1353 C TYR A 87 -4.136 16.776 -10.197 1.00 0.00 C ATOM 1354 O TYR A 87 -4.657 17.887 -10.303 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.091 14.642 -11.084 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.399 13.798 -12.300 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -4.510 12.824 -12.736 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.578 13.976 -13.012 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -4.786 12.051 -13.848 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.862 13.207 -14.125 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.964 12.246 -14.538 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.243 11.479 -15.645 1.00 0.00 O ATOM 0 H TYR A 87 -2.505 14.518 -11.046 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.475 16.337 -12.254 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.658 14.006 -10.312 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.023 15.040 -10.684 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.587 12.668 -12.197 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.284 14.727 -12.691 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.083 11.299 -14.175 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.783 13.358 -14.668 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.112 11.742 -16.014 1.00 0.00 H new ATOM 1372 N SER A 88 -3.549 16.350 -9.082 1.00 0.00 N ATOM 1373 CA SER A 88 -3.473 17.173 -7.873 1.00 0.00 C ATOM 1374 C SER A 88 -4.868 17.504 -7.345 1.00 0.00 C ATOM 1375 O SER A 88 -5.829 17.576 -8.109 1.00 0.00 O ATOM 1376 CB SER A 88 -2.693 18.461 -8.141 1.00 0.00 C ATOM 1377 OG SER A 88 -2.214 18.512 -9.474 1.00 0.00 O ATOM 0 H SER A 88 -3.115 15.432 -8.988 1.00 0.00 H new ATOM 0 HA SER A 88 -2.945 16.597 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.334 19.322 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.854 18.530 -7.449 1.00 0.00 H new ATOM 0 HG SER A 88 -1.722 19.348 -9.613 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.980 17.687 -6.029 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.270 17.987 -5.419 1.00 0.00 C ATOM 1385 C ASN A 89 -6.190 19.113 -4.381 1.00 0.00 C ATOM 1386 O ASN A 89 -7.229 19.588 -3.923 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.834 16.728 -4.762 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.281 15.682 -5.761 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.449 15.964 -6.947 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.482 14.461 -5.279 1.00 0.00 N ATOM 0 H ASN A 89 -4.201 17.633 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.928 18.330 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.076 16.296 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.679 17.003 -4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.788 13.712 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.330 14.272 -4.288 1.00 0.00 H new ATOM 1592 N CYS A 104 4.481 18.083 2.419 1.00 0.00 N ATOM 1593 CA CYS A 104 3.656 16.912 2.140 1.00 0.00 C ATOM 1594 C CYS A 104 2.193 17.297 1.924 1.00 0.00 C ATOM 1595 O CYS A 104 1.747 18.366 2.348 1.00 0.00 O ATOM 1596 CB CYS A 104 3.760 15.905 3.291 1.00 0.00 C ATOM 1597 SG CYS A 104 4.970 16.359 4.580 1.00 0.00 S ATOM 0 HA CYS A 104 4.028 16.456 1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 104 2.779 15.796 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.030 14.931 2.883 1.00 0.00 H new ATOM 0 HG CYS A 104 5.488 17.518 4.300 1.00 0.00 H new ATOM 1602 N VAL A 105 1.449 16.417 1.263 1.00 0.00 N ATOM 1603 CA VAL A 105 0.039 16.657 0.997 1.00 0.00 C ATOM 1604 C VAL A 105 -0.839 15.725 1.827 1.00 0.00 C ATOM 1605 O VAL A 105 -0.550 14.537 1.969 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.285 16.486 -0.498 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.785 16.454 -0.728 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.345 17.609 -1.302 1.00 0.00 C ATOM 0 H VAL A 105 1.801 15.530 0.902 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.174 17.688 1.281 1.00 0.00 H new ATOM 0 HB VAL A 105 0.131 15.535 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.987 16.332 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.220 15.619 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.227 17.387 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.109 17.477 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.047 18.566 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.426 17.591 -1.167 1.00 0.00 H new ATOM 1618 N MET A 106 -1.906 16.287 2.381 1.00 0.00 N ATOM 1619 CA MET A 106 -2.840 15.541 3.216 1.00 0.00 C ATOM 1620 C MET A 106 -4.271 15.750 2.736 1.00 0.00 C ATOM 1621 O MET A 106 -4.527 16.606 1.898 1.00 0.00 O ATOM 1622 CB MET A 106 -2.711 15.983 4.674 1.00 0.00 C ATOM 1623 CG MET A 106 -2.889 17.479 4.873 1.00 0.00 C ATOM 1624 SD MET A 106 -1.652 18.184 5.979 1.00 0.00 S ATOM 1625 CE MET A 106 -0.347 18.583 4.818 1.00 0.00 C ATOM 0 H MET A 106 -2.148 17.271 2.265 1.00 0.00 H new ATOM 0 HA MET A 106 -2.598 14.481 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.453 15.454 5.272 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.731 15.689 5.049 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.834 17.979 3.906 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.883 17.672 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 106 0.492 19.029 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.015 17.674 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.722 19.289 4.077 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.707 17.229 -1.059 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.343 17.369 -0.569 1.00 0.00 C ATOM 1727 C TRP A 113 -6.071 18.763 -0.060 1.00 0.00 C ATOM 1728 O TRP A 113 -6.752 19.722 -0.413 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.318 17.132 -1.671 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.245 15.750 -2.209 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.078 14.705 -1.960 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.268 15.285 -3.133 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.675 13.607 -2.681 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.559 13.940 -3.411 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.171 15.890 -3.752 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.787 13.181 -4.290 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.405 15.139 -4.624 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.716 13.796 -4.887 1.00 0.00 C ATOM 0 HA TRP A 113 -6.251 16.629 0.226 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.538 17.810 -2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.334 17.404 -1.289 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.929 14.734 -1.295 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.130 12.694 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.927 16.923 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.024 12.147 -4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.554 15.593 -5.110 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.099 13.235 -5.574 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.009 18.860 0.709 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.539 20.121 1.213 1.00 0.00 C ATOM 1751 C ASN A 114 -3.019 20.084 1.206 1.00 0.00 C ATOM 1752 O ASN A 114 -2.404 19.235 1.851 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.064 20.377 2.628 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.526 20.780 2.638 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.997 21.471 1.734 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.252 20.349 3.663 1.00 0.00 N ATOM 0 H ASN A 114 -4.448 18.060 1.001 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.903 20.933 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.934 19.477 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.470 21.162 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.242 20.588 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.820 19.778 4.390 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.423 20.997 0.462 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.977 21.066 0.350 1.00 0.00 C ATOM 1765 C ASP A 115 -0.393 21.976 1.425 1.00 0.00 C ATOM 1766 O ASP A 115 -0.652 23.179 1.440 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.593 21.560 -1.043 1.00 0.00 C ATOM 1768 CG ASP A 115 0.903 21.487 -1.279 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.415 20.372 -1.508 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.563 22.546 -1.230 1.00 0.00 O ATOM 0 H ASP A 115 -2.921 21.705 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.564 20.068 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.108 20.962 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.930 22.589 -1.169 1.00 0.00 H new ATOM 1891 N GLY A 123 -4.052 10.826 10.700 1.00 0.00 N ATOM 1892 CA GLY A 123 -4.119 9.888 11.804 1.00 0.00 C ATOM 1893 C GLY A 123 -4.111 8.450 11.325 1.00 0.00 C ATOM 1894 O GLY A 123 -4.387 7.529 12.094 1.00 0.00 O ATOM 0 HA2 GLY A 123 -3.274 10.053 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.024 10.073 12.383 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.797 8.264 10.048 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.755 6.934 9.451 1.00 0.00 C ATOM 1900 C ALA A 124 -2.727 6.874 8.325 1.00 0.00 C ATOM 1901 O ALA A 124 -2.600 7.817 7.543 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.133 6.552 8.931 1.00 0.00 C ATOM 0 H ALA A 124 -3.567 9.021 9.404 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.456 6.221 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.091 5.557 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.846 6.552 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.450 7.273 8.177 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.004 5.761 8.239 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.000 5.585 7.202 1.00 0.00 C ATOM 1910 C TRP A 125 -1.576 4.789 6.043 1.00 0.00 C ATOM 1911 O TRP A 125 -2.240 3.765 6.244 1.00 0.00 O ATOM 1912 CB TRP A 125 0.233 4.874 7.762 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.074 3.523 8.330 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.612 3.256 9.553 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.132 2.256 7.694 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.756 1.903 9.719 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.306 1.266 8.593 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.642 1.864 6.453 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.248 -0.092 8.290 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.699 0.516 6.154 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.257 -0.448 7.068 1.00 0.00 C ATOM 0 H TRP A 125 -2.097 4.970 8.876 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.701 6.570 6.843 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.975 4.768 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.681 5.494 8.538 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.885 4.002 10.285 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.137 1.445 10.547 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.985 2.601 5.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.589 -0.837 8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 1.091 0.201 5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.316 -1.494 6.804 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.334 5.264 4.831 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.846 4.592 3.656 1.00 0.00 C ATOM 1934 C VAL A 126 -0.768 4.402 2.582 1.00 0.00 C ATOM 1935 O VAL A 126 -0.088 5.346 2.184 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.061 5.347 3.073 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.015 6.815 3.437 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.161 5.160 1.569 1.00 0.00 C ATOM 0 H VAL A 126 -0.790 6.106 4.640 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.169 3.601 3.974 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.959 4.919 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.882 7.322 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.026 6.921 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.104 7.260 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.027 5.704 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.257 5.541 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.271 4.100 1.341 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.640 3.157 2.124 1.00 0.00 N ATOM 1949 CA CYS A 127 0.327 2.777 1.088 1.00 0.00 C ATOM 1950 C CYS A 127 -0.297 1.752 0.153 1.00 0.00 C ATOM 1951 O CYS A 127 -1.291 1.138 0.497 1.00 0.00 O ATOM 1952 CB CYS A 127 1.599 2.195 1.701 1.00 0.00 C ATOM 1953 SG CYS A 127 2.405 3.276 2.922 1.00 0.00 S ATOM 0 H CYS A 127 -1.206 2.378 2.461 1.00 0.00 H new ATOM 0 HA CYS A 127 0.594 3.676 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.357 1.245 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.307 1.978 0.901 1.00 0.00 H new ATOM 1958 N ASP A 128 0.281 1.543 -1.020 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.274 0.566 -1.939 1.00 0.00 C ATOM 1960 C ASP A 128 0.771 -0.450 -2.363 1.00 0.00 C ATOM 1961 O ASP A 128 1.937 -0.123 -2.564 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.848 1.264 -3.173 1.00 0.00 C ATOM 1963 CG ASP A 128 0.196 2.068 -3.922 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.776 2.996 -3.320 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.434 1.770 -5.111 1.00 0.00 O ATOM 0 H ASP A 128 1.116 2.026 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.073 0.038 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.277 0.518 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.661 1.924 -2.869 1.00 0.00 H new ATOM 1970 N ARG A 129 0.322 -1.689 -2.507 1.00 0.00 N ATOM 1971 CA ARG A 129 1.182 -2.792 -2.913 1.00 0.00 C ATOM 1972 C ARG A 129 0.350 -3.889 -3.560 1.00 0.00 C ATOM 1973 O ARG A 129 -0.872 -3.895 -3.443 1.00 0.00 O ATOM 1974 CB ARG A 129 1.942 -3.353 -1.708 1.00 0.00 C ATOM 1975 CG ARG A 129 1.150 -4.361 -0.892 1.00 0.00 C ATOM 1976 CD ARG A 129 1.911 -5.667 -0.729 1.00 0.00 C ATOM 1977 NE ARG A 129 1.439 -6.436 0.419 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.186 -7.323 1.071 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.436 -7.548 0.690 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.683 -7.982 2.105 1.00 0.00 N ATOM 0 H ARG A 129 -0.649 -1.958 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 129 1.907 -2.419 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.860 -3.825 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.236 -2.527 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.929 -3.943 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.194 -4.554 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.804 -6.264 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.974 -5.455 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 129 0.482 -6.285 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.826 -7.041 -0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.007 -8.228 1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.722 -7.809 2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.256 -8.662 2.604 1.00 0.00 H new ATOM 1994 N LEU A 130 1.012 -4.820 -4.230 1.00 0.00 N ATOM 1995 CA LEU A 130 0.310 -5.919 -4.881 1.00 0.00 C ATOM 1996 C LEU A 130 -0.250 -6.892 -3.847 1.00 0.00 C ATOM 1997 O LEU A 130 0.444 -7.286 -2.911 1.00 0.00 O ATOM 1998 CB LEU A 130 1.245 -6.644 -5.852 1.00 0.00 C ATOM 1999 CG LEU A 130 1.347 -6.027 -7.255 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.594 -6.877 -8.265 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.822 -4.594 -7.266 1.00 0.00 C ATOM 0 H LEU A 130 2.026 -4.838 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.527 -5.507 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.243 -6.675 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.908 -7.676 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 130 2.400 -6.001 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.676 -6.426 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.021 -7.880 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.456 -6.936 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.907 -4.183 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.224 -4.587 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.407 -3.987 -6.576 1.00 0.00 H new