USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 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 52 GLN :FLIP amide:sc= -0.654 F(o=-2.8!,f=-0.65) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0853) USER MOD Single : A 14 ASN : amide:sc= -0.635 X(o=-0.63,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 50:sc= -3.47! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0073) 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 148:sc= -0.867 (180deg=-3.16!) USER MOD Single : A 42 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.7) USER MOD Single : A 45 SER OG : rot -116:sc= 1.21 USER MOD Single : A 47 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-1.7) USER MOD Single : A 48 SER OG : 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= -2.29! C(o=-2.3!,f=-4.3!) USER MOD Single : A 64 SER OG : rot -120:sc=-0.000248 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -34:sc= 0.41 USER MOD Single : A 84 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -2.01 USER MOD Single : A 89 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 104 CYS SG : rot 20:sc= -0.0687 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.400 -1.840 6.284 1.00 0.00 N ATOM 135 CA LYS A 11 -9.024 -0.757 5.378 1.00 0.00 C ATOM 136 C LYS A 11 -8.529 -1.349 4.066 1.00 0.00 C ATOM 137 O LYS A 11 -9.271 -1.380 3.085 1.00 0.00 O ATOM 138 CB LYS A 11 -7.950 0.128 6.016 1.00 0.00 C ATOM 139 CG LYS A 11 -8.104 0.281 7.521 1.00 0.00 C ATOM 140 CD LYS A 11 -6.986 -0.426 8.270 1.00 0.00 C ATOM 141 CE LYS A 11 -7.503 -1.113 9.523 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.548 -2.138 10.029 1.00 0.00 N ATOM 0 HA LYS A 11 -9.895 -0.132 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.968 -0.294 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.982 1.115 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.106 1.339 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.066 -0.126 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.518 -1.162 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.215 0.295 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.680 -0.368 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.462 -1.585 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.039 -2.773 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.176 -2.690 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.762 -1.667 10.521 1.00 0.00 H new ATOM 155 N TRP A 12 -7.284 -1.838 4.076 1.00 0.00 N ATOM 156 CA TRP A 12 -6.669 -2.483 2.903 1.00 0.00 C ATOM 157 C TRP A 12 -7.732 -2.938 1.896 1.00 0.00 C ATOM 158 O TRP A 12 -8.725 -3.564 2.267 1.00 0.00 O ATOM 159 CB TRP A 12 -5.818 -3.690 3.331 1.00 0.00 C ATOM 160 CG TRP A 12 -5.645 -3.849 4.819 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.628 -3.892 5.769 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.406 -4.007 5.522 1.00 0.00 C ATOM 163 NE1 TRP A 12 -6.076 -4.051 7.015 1.00 0.00 N ATOM 164 CE2 TRP A 12 -4.714 -4.127 6.892 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.065 -4.055 5.128 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -3.732 -4.292 7.865 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.091 -4.219 6.096 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.429 -4.335 7.450 1.00 0.00 C ATOM 0 H TRP A 12 -6.674 -1.800 4.892 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.029 -1.743 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.274 -4.597 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.833 -3.602 2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.686 -3.812 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.596 -4.104 7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.795 -3.966 4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.990 -4.383 8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.052 -4.258 5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.645 -4.461 8.182 1.00 0.00 H new ATOM 179 N ILE A 13 -7.525 -2.604 0.622 1.00 0.00 N ATOM 180 CA ILE A 13 -8.476 -2.952 -0.429 1.00 0.00 C ATOM 181 C ILE A 13 -7.769 -3.469 -1.679 1.00 0.00 C ATOM 182 O ILE A 13 -6.906 -2.798 -2.231 1.00 0.00 O ATOM 183 CB ILE A 13 -9.314 -1.715 -0.817 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.017 -0.548 0.142 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.790 -2.060 -0.818 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.178 0.405 0.355 1.00 0.00 C ATOM 0 H ILE A 13 -6.706 -2.092 0.295 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.119 -3.740 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.040 -1.403 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.717 -0.956 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.168 0.015 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.369 -1.179 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.977 -2.857 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.086 -2.393 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.879 1.195 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.467 0.846 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.024 -0.140 0.773 1.00 0.00 H new ATOM 198 N ASN A 14 -8.145 -4.658 -2.134 1.00 0.00 N ATOM 199 CA ASN A 14 -7.531 -5.239 -3.325 1.00 0.00 C ATOM 200 C ASN A 14 -8.448 -5.116 -4.538 1.00 0.00 C ATOM 201 O ASN A 14 -9.672 -5.089 -4.405 1.00 0.00 O ATOM 202 CB ASN A 14 -7.176 -6.706 -3.082 1.00 0.00 C ATOM 203 CG ASN A 14 -6.769 -7.423 -4.355 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.448 -8.345 -4.806 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.655 -7.000 -4.942 1.00 0.00 N ATOM 0 H ASN A 14 -8.866 -5.236 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.617 -4.682 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.362 -6.765 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.032 -7.215 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.332 -7.443 -5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.123 -6.232 -4.533 1.00 0.00 H new ATOM 212 N PHE A 15 -7.845 -5.040 -5.722 1.00 0.00 N ATOM 213 CA PHE A 15 -8.601 -4.920 -6.962 1.00 0.00 C ATOM 214 C PHE A 15 -8.156 -5.977 -7.973 1.00 0.00 C ATOM 215 O PHE A 15 -8.116 -7.166 -7.656 1.00 0.00 O ATOM 216 CB PHE A 15 -8.435 -3.515 -7.548 1.00 0.00 C ATOM 217 CG PHE A 15 -8.478 -2.423 -6.517 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.682 -1.844 -6.152 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.313 -1.979 -5.914 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.724 -0.840 -5.203 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.348 -0.977 -4.963 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.555 -0.406 -4.607 1.00 0.00 C ATOM 0 H PHE A 15 -6.833 -5.060 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.655 -5.085 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.485 -3.463 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.222 -3.341 -8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.598 -2.181 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.367 -2.421 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.669 -0.395 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.433 -0.640 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.585 0.378 -3.865 1.00 0.00 H new ATOM 232 N GLN A 16 -7.824 -5.543 -9.189 1.00 0.00 N ATOM 233 CA GLN A 16 -7.383 -6.459 -10.234 1.00 0.00 C ATOM 234 C GLN A 16 -6.205 -7.301 -9.756 1.00 0.00 C ATOM 235 O GLN A 16 -6.180 -8.518 -9.949 1.00 0.00 O ATOM 236 CB GLN A 16 -6.994 -5.684 -11.494 1.00 0.00 C ATOM 237 CG GLN A 16 -6.126 -4.466 -11.217 1.00 0.00 C ATOM 238 CD GLN A 16 -6.321 -3.366 -12.242 1.00 0.00 C ATOM 239 OE1 GLN A 16 -7.409 -3.201 -12.794 1.00 0.00 O ATOM 240 NE2 GLN A 16 -5.265 -2.605 -12.502 1.00 0.00 N ATOM 0 H GLN A 16 -7.853 -4.563 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.212 -7.126 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.462 -6.352 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.900 -5.364 -12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.357 -4.078 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.078 -4.766 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.382 -2.777 -12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.337 -1.849 -13.182 1.00 0.00 H new ATOM 249 N ARG A 17 -5.233 -6.648 -9.127 1.00 0.00 N ATOM 250 CA ARG A 17 -4.054 -7.338 -8.616 1.00 0.00 C ATOM 251 C ARG A 17 -3.272 -6.446 -7.658 1.00 0.00 C ATOM 252 O ARG A 17 -2.230 -6.843 -7.134 1.00 0.00 O ATOM 253 CB ARG A 17 -3.154 -7.785 -9.770 1.00 0.00 C ATOM 254 CG ARG A 17 -2.787 -9.259 -9.719 1.00 0.00 C ATOM 255 CD ARG A 17 -1.546 -9.495 -8.874 1.00 0.00 C ATOM 256 NE ARG A 17 -0.319 -9.357 -9.652 1.00 0.00 N ATOM 257 CZ ARG A 17 0.651 -10.268 -9.670 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.534 -11.379 -8.955 1.00 0.00 N ATOM 259 NH2 ARG A 17 1.737 -10.067 -10.403 1.00 0.00 N ATOM 0 H ARG A 17 -5.239 -5.642 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.390 -8.218 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.657 -7.577 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.240 -7.191 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.621 -9.829 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.615 -9.628 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.531 -8.786 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.589 -10.493 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.198 -8.514 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.301 -11.536 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.279 -12.076 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.830 -9.214 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.480 -10.766 -10.416 1.00 0.00 H new ATOM 273 N LYS A 18 -3.786 -5.244 -7.429 1.00 0.00 N ATOM 274 CA LYS A 18 -3.154 -4.296 -6.533 1.00 0.00 C ATOM 275 C LYS A 18 -4.040 -4.063 -5.321 1.00 0.00 C ATOM 276 O LYS A 18 -5.246 -4.292 -5.369 1.00 0.00 O ATOM 277 CB LYS A 18 -2.897 -2.977 -7.255 1.00 0.00 C ATOM 278 CG LYS A 18 -4.136 -2.112 -7.386 1.00 0.00 C ATOM 279 CD LYS A 18 -4.120 -1.310 -8.676 1.00 0.00 C ATOM 280 CE LYS A 18 -4.275 0.177 -8.409 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.843 0.897 -9.583 1.00 0.00 N ATOM 0 H LYS A 18 -4.647 -4.905 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.199 -4.705 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.129 -2.420 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.502 -3.186 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.025 -2.742 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.199 -1.434 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.185 -1.490 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.926 -1.650 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.922 0.325 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.304 0.603 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.933 1.909 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.213 0.778 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.781 0.508 -9.808 1.00 0.00 H new ATOM 294 N CYS A 19 -3.440 -3.612 -4.235 1.00 0.00 N ATOM 295 CA CYS A 19 -4.186 -3.357 -3.013 1.00 0.00 C ATOM 296 C CYS A 19 -3.777 -2.033 -2.377 1.00 0.00 C ATOM 297 O CYS A 19 -2.637 -1.590 -2.508 1.00 0.00 O ATOM 298 CB CYS A 19 -3.985 -4.506 -2.019 1.00 0.00 C ATOM 299 SG CYS A 19 -4.968 -4.354 -0.488 1.00 0.00 S ATOM 0 H CYS A 19 -2.441 -3.415 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.242 -3.291 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.241 -5.445 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.929 -4.562 -1.755 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.730 -5.373 0.284 1.00 0.00 H new ATOM 304 N TYR A 20 -4.722 -1.417 -1.677 1.00 0.00 N ATOM 305 CA TYR A 20 -4.487 -0.152 -0.997 1.00 0.00 C ATOM 306 C TYR A 20 -4.871 -0.291 0.464 1.00 0.00 C ATOM 307 O TYR A 20 -6.027 -0.554 0.773 1.00 0.00 O ATOM 308 CB TYR A 20 -5.357 0.943 -1.626 1.00 0.00 C ATOM 309 CG TYR A 20 -4.796 1.537 -2.895 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.456 0.731 -3.972 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.610 2.907 -3.015 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.944 1.274 -5.135 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.099 3.459 -4.174 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.767 2.639 -5.230 1.00 0.00 C ATOM 315 OH TYR A 20 -3.257 3.184 -6.386 1.00 0.00 O ATOM 0 H TYR A 20 -5.669 -1.780 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.434 0.113 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.343 0.529 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.497 1.741 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.594 -0.338 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.869 3.552 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.684 0.634 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.961 4.527 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.196 4.157 -6.290 1.00 0.00 H new ATOM 325 N TYR A 21 -3.929 -0.093 1.370 1.00 0.00 N ATOM 326 CA TYR A 21 -4.258 -0.208 2.779 1.00 0.00 C ATOM 327 C TYR A 21 -4.293 1.146 3.456 1.00 0.00 C ATOM 328 O TYR A 21 -3.273 1.817 3.622 1.00 0.00 O ATOM 329 CB TYR A 21 -3.323 -1.169 3.512 1.00 0.00 C ATOM 330 CG TYR A 21 -1.863 -1.034 3.173 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.341 -1.605 2.021 1.00 0.00 C ATOM 332 CD2 TYR A 21 -1.005 -0.357 4.022 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.002 -1.499 1.723 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.337 -0.250 3.737 1.00 0.00 C ATOM 335 CZ TYR A 21 0.838 -0.821 2.584 1.00 0.00 C ATOM 336 OH TYR A 21 2.178 -0.713 2.294 1.00 0.00 O ATOM 0 H TYR A 21 -2.958 0.141 1.164 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.261 -0.632 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.445 -1.020 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.636 -2.190 3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.995 -2.140 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.395 0.094 4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.396 -1.944 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.995 0.278 4.412 1.00 0.00 H new ATOM 0 HH TYR A 21 2.289 -0.397 1.373 1.00 0.00 H new ATOM 346 N PHE A 22 -5.501 1.526 3.838 1.00 0.00 N ATOM 347 CA PHE A 22 -5.756 2.788 4.505 1.00 0.00 C ATOM 348 C PHE A 22 -5.714 2.588 6.015 1.00 0.00 C ATOM 349 O PHE A 22 -6.733 2.697 6.695 1.00 0.00 O ATOM 350 CB PHE A 22 -7.127 3.308 4.063 1.00 0.00 C ATOM 351 CG PHE A 22 -7.272 3.431 2.564 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.165 3.661 1.765 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.514 3.317 1.956 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.287 3.777 0.392 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.643 3.431 0.582 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.526 3.662 -0.202 1.00 0.00 C ATOM 0 H PHE A 22 -6.338 0.961 3.692 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.993 3.519 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.900 2.638 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.300 4.283 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.190 3.751 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.390 3.137 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.412 3.958 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.616 3.340 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.624 3.752 -1.274 1.00 0.00 H new ATOM 366 N GLY A 23 -4.528 2.274 6.528 1.00 0.00 N ATOM 367 CA GLY A 23 -4.376 2.032 7.947 1.00 0.00 C ATOM 368 C GLY A 23 -4.224 3.308 8.752 1.00 0.00 C ATOM 369 O GLY A 23 -4.179 4.402 8.190 1.00 0.00 O ATOM 0 H GLY A 23 -3.670 2.183 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.243 1.480 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.504 1.399 8.111 1.00 0.00 H new ATOM 373 N LYS A 24 -4.155 3.169 10.075 1.00 0.00 N ATOM 374 CA LYS A 24 -4.016 4.321 10.959 1.00 0.00 C ATOM 375 C LYS A 24 -2.949 4.078 12.022 1.00 0.00 C ATOM 376 O LYS A 24 -2.871 2.994 12.602 1.00 0.00 O ATOM 377 CB LYS A 24 -5.354 4.641 11.627 1.00 0.00 C ATOM 378 CG LYS A 24 -6.013 3.436 12.278 1.00 0.00 C ATOM 379 CD LYS A 24 -6.922 3.848 13.425 1.00 0.00 C ATOM 380 CE LYS A 24 -6.640 3.035 14.678 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.896 2.601 15.351 1.00 0.00 N ATOM 0 H LYS A 24 -4.193 2.270 10.556 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.705 5.171 10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.198 5.412 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.032 5.057 10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.591 2.890 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.245 2.756 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.783 4.908 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.963 3.716 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.046 2.159 14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.044 3.629 15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.662 2.049 16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.451 3.437 15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.454 2.013 14.699 1.00 0.00 H new ATOM 436 N GLN A 28 3.859 11.420 10.614 1.00 0.00 N ATOM 437 CA GLN A 28 4.259 12.336 9.549 1.00 0.00 C ATOM 438 C GLN A 28 4.230 11.641 8.193 1.00 0.00 C ATOM 439 O GLN A 28 3.928 10.452 8.099 1.00 0.00 O ATOM 440 CB GLN A 28 5.660 12.888 9.817 1.00 0.00 C ATOM 441 CG GLN A 28 5.661 14.295 10.393 1.00 0.00 C ATOM 442 CD GLN A 28 7.014 14.698 10.947 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.045 14.498 10.304 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.017 15.268 12.146 1.00 0.00 N ATOM 0 HA GLN A 28 3.547 13.161 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.178 12.222 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.227 12.885 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.365 15.001 9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.915 14.360 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.139 15.414 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.898 15.560 12.570 1.00 0.00 H new ATOM 453 N TRP A 29 4.549 12.395 7.145 1.00 0.00 N ATOM 454 CA TRP A 29 4.563 11.852 5.793 1.00 0.00 C ATOM 455 C TRP A 29 5.663 10.813 5.633 1.00 0.00 C ATOM 456 O TRP A 29 5.429 9.716 5.128 1.00 0.00 O ATOM 457 CB TRP A 29 4.758 12.963 4.766 1.00 0.00 C ATOM 458 CG TRP A 29 4.740 12.449 3.362 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.647 12.290 2.562 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.866 12.005 2.598 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.023 11.771 1.348 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.382 11.592 1.345 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.238 11.920 2.852 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.217 11.098 0.348 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.069 11.430 1.862 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.556 11.024 0.623 1.00 0.00 C ATOM 0 H TRP A 29 4.801 13.382 7.207 1.00 0.00 H new ATOM 0 HA TRP A 29 3.599 11.373 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.972 13.709 4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.707 13.466 4.954 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.634 12.536 2.843 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.394 11.554 0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.641 12.231 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.823 10.784 -0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.131 11.359 2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.231 10.645 -0.130 1.00 0.00 H new ATOM 477 N VAL A 30 6.864 11.172 6.065 1.00 0.00 N ATOM 478 CA VAL A 30 8.011 10.278 5.973 1.00 0.00 C ATOM 479 C VAL A 30 7.708 8.947 6.645 1.00 0.00 C ATOM 480 O VAL A 30 8.203 7.900 6.232 1.00 0.00 O ATOM 481 CB VAL A 30 9.260 10.898 6.622 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.846 11.971 5.721 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.921 11.470 7.989 1.00 0.00 C ATOM 0 H VAL A 30 7.070 12.079 6.484 1.00 0.00 H new ATOM 0 HA VAL A 30 8.210 10.116 4.914 1.00 0.00 H new ATOM 0 HB VAL A 30 10.007 10.116 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.729 12.401 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.125 11.530 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.105 12.754 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.816 11.905 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.158 12.241 7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.545 10.675 8.633 1.00 0.00 H new ATOM 493 N HIS A 31 6.883 8.998 7.680 1.00 0.00 N ATOM 494 CA HIS A 31 6.499 7.797 8.404 1.00 0.00 C ATOM 495 C HIS A 31 5.555 6.946 7.562 1.00 0.00 C ATOM 496 O HIS A 31 5.522 5.723 7.696 1.00 0.00 O ATOM 497 CB HIS A 31 5.834 8.163 9.733 1.00 0.00 C ATOM 498 CG HIS A 31 6.705 7.917 10.925 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.915 6.662 11.457 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.423 8.774 11.690 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.724 6.758 12.499 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.047 8.027 12.660 1.00 0.00 N ATOM 0 H HIS A 31 6.467 9.858 8.037 1.00 0.00 H new ATOM 0 HA HIS A 31 7.399 7.219 8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.551 9.215 9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.914 7.588 9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.492 9.844 11.562 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.063 5.937 13.114 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.661 8.394 13.387 1.00 0.00 H new ATOM 511 N ALA A 32 4.793 7.601 6.688 1.00 0.00 N ATOM 512 CA ALA A 32 3.858 6.896 5.824 1.00 0.00 C ATOM 513 C ALA A 32 4.601 6.100 4.759 1.00 0.00 C ATOM 514 O ALA A 32 4.339 4.915 4.568 1.00 0.00 O ATOM 515 CB ALA A 32 2.890 7.875 5.178 1.00 0.00 C ATOM 0 H ALA A 32 4.807 8.613 6.562 1.00 0.00 H new ATOM 0 HA ALA A 32 3.288 6.197 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.198 7.331 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.330 8.398 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.447 8.598 4.582 1.00 0.00 H new ATOM 521 N ARG A 33 5.541 6.755 4.082 1.00 0.00 N ATOM 522 CA ARG A 33 6.331 6.100 3.050 1.00 0.00 C ATOM 523 C ARG A 33 7.129 4.946 3.642 1.00 0.00 C ATOM 524 O ARG A 33 7.284 3.899 3.013 1.00 0.00 O ATOM 525 CB ARG A 33 7.269 7.098 2.364 1.00 0.00 C ATOM 526 CG ARG A 33 8.193 7.828 3.323 1.00 0.00 C ATOM 527 CD ARG A 33 9.597 7.958 2.756 1.00 0.00 C ATOM 528 NE ARG A 33 10.555 8.408 3.762 1.00 0.00 N ATOM 529 CZ ARG A 33 11.836 8.056 3.771 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.314 7.251 2.830 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.643 8.508 4.721 1.00 0.00 N ATOM 0 H ARG A 33 5.772 7.737 4.231 1.00 0.00 H new ATOM 0 HA ARG A 33 5.646 5.703 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.871 6.568 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.671 7.830 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.791 8.819 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.231 7.292 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.917 6.996 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.588 8.662 1.924 1.00 0.00 H new ATOM 0 HE ARG A 33 10.222 9.028 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.697 6.901 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.298 6.983 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.281 9.127 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.626 8.237 4.727 1.00 0.00 H new ATOM 545 N TYR A 34 7.621 5.139 4.861 1.00 0.00 N ATOM 546 CA TYR A 34 8.386 4.104 5.541 1.00 0.00 C ATOM 547 C TYR A 34 7.498 2.897 5.805 1.00 0.00 C ATOM 548 O TYR A 34 7.942 1.753 5.717 1.00 0.00 O ATOM 549 CB TYR A 34 8.961 4.636 6.856 1.00 0.00 C ATOM 550 CG TYR A 34 10.471 4.589 6.919 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.141 3.388 7.119 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.227 5.746 6.779 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.521 3.343 7.177 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.607 5.708 6.835 1.00 0.00 C ATOM 555 CZ TYR A 34 13.249 4.505 7.034 1.00 0.00 C ATOM 556 OH TYR A 34 14.623 4.463 7.091 1.00 0.00 O ATOM 0 H TYR A 34 7.504 6.000 5.396 1.00 0.00 H new ATOM 0 HA TYR A 34 9.216 3.804 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.632 5.665 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.553 4.055 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.574 2.475 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.728 6.691 6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.027 2.402 7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.180 6.617 6.723 1.00 0.00 H new ATOM 0 HH TYR A 34 14.983 5.366 6.971 1.00 0.00 H new ATOM 566 N ALA A 35 6.232 3.166 6.107 1.00 0.00 N ATOM 567 CA ALA A 35 5.268 2.105 6.359 1.00 0.00 C ATOM 568 C ALA A 35 5.079 1.274 5.099 1.00 0.00 C ATOM 569 O ALA A 35 5.026 0.044 5.150 1.00 0.00 O ATOM 570 CB ALA A 35 3.941 2.688 6.821 1.00 0.00 C ATOM 0 H ALA A 35 5.852 4.109 6.183 1.00 0.00 H new ATOM 0 HA ALA A 35 5.648 1.462 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.233 1.880 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.092 3.254 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.546 3.349 6.050 1.00 0.00 H new ATOM 576 N CYS A 36 4.999 1.963 3.964 1.00 0.00 N ATOM 577 CA CYS A 36 4.843 1.303 2.681 1.00 0.00 C ATOM 578 C CYS A 36 5.964 0.302 2.476 1.00 0.00 C ATOM 579 O CYS A 36 5.729 -0.863 2.159 1.00 0.00 O ATOM 580 CB CYS A 36 4.867 2.326 1.546 1.00 0.00 C ATOM 581 SG CYS A 36 4.074 3.918 1.941 1.00 0.00 S ATOM 0 H CYS A 36 5.040 2.981 3.912 1.00 0.00 H new ATOM 0 HA CYS A 36 3.883 0.786 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.903 2.512 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.372 1.895 0.676 1.00 0.00 H new ATOM 586 N ASP A 37 7.187 0.777 2.666 1.00 0.00 N ATOM 587 CA ASP A 37 8.369 -0.058 2.510 1.00 0.00 C ATOM 588 C ASP A 37 8.288 -1.286 3.411 1.00 0.00 C ATOM 589 O ASP A 37 8.826 -2.346 3.084 1.00 0.00 O ATOM 590 CB ASP A 37 9.632 0.742 2.831 1.00 0.00 C ATOM 591 CG ASP A 37 10.898 -0.058 2.600 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.100 -0.534 1.463 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.689 -0.208 3.555 1.00 0.00 O ATOM 0 H ASP A 37 7.387 1.742 2.930 1.00 0.00 H new ATOM 0 HA ASP A 37 8.414 -0.391 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.656 1.641 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.597 1.069 3.870 1.00 0.00 H new ATOM 598 N ASP A 38 7.607 -1.139 4.544 1.00 0.00 N ATOM 599 CA ASP A 38 7.449 -2.238 5.490 1.00 0.00 C ATOM 600 C ASP A 38 6.533 -3.314 4.918 1.00 0.00 C ATOM 601 O ASP A 38 6.671 -4.496 5.235 1.00 0.00 O ATOM 602 CB ASP A 38 6.887 -1.723 6.816 1.00 0.00 C ATOM 603 CG ASP A 38 7.882 -1.851 7.954 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.871 -1.088 7.965 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.672 -2.713 8.833 1.00 0.00 O ATOM 0 H ASP A 38 7.156 -0.270 4.829 1.00 0.00 H new ATOM 0 HA ASP A 38 8.431 -2.677 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.599 -0.678 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.982 -2.278 7.064 1.00 0.00 H new ATOM 610 N MET A 39 5.600 -2.896 4.067 1.00 0.00 N ATOM 611 CA MET A 39 4.664 -3.821 3.441 1.00 0.00 C ATOM 612 C MET A 39 5.080 -4.107 2.003 1.00 0.00 C ATOM 613 O MET A 39 4.428 -4.876 1.296 1.00 0.00 O ATOM 614 CB MET A 39 3.245 -3.251 3.474 1.00 0.00 C ATOM 615 CG MET A 39 2.803 -2.797 4.856 1.00 0.00 C ATOM 616 SD MET A 39 2.649 -4.167 6.019 1.00 0.00 S ATOM 617 CE MET A 39 3.785 -3.651 7.303 1.00 0.00 C ATOM 0 H MET A 39 5.473 -1.921 3.796 1.00 0.00 H new ATOM 0 HA MET A 39 4.678 -4.755 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.186 -2.407 2.787 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.550 -4.008 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.521 -2.075 5.244 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.845 -2.283 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.428 -4.008 8.269 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.772 -4.068 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.847 -2.563 7.318 1.00 0.00 H new ATOM 627 N GLU A 40 6.177 -3.480 1.588 1.00 0.00 N ATOM 628 CA GLU A 40 6.715 -3.650 0.242 1.00 0.00 C ATOM 629 C GLU A 40 5.789 -3.053 -0.815 1.00 0.00 C ATOM 630 O GLU A 40 5.675 -3.581 -1.922 1.00 0.00 O ATOM 631 CB GLU A 40 6.958 -5.131 -0.055 1.00 0.00 C ATOM 632 CG GLU A 40 8.135 -5.719 0.706 1.00 0.00 C ATOM 633 CD GLU A 40 9.018 -6.588 -0.168 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.641 -7.752 -0.421 1.00 0.00 O ATOM 635 OE2 GLU A 40 10.085 -6.105 -0.600 1.00 0.00 O ATOM 0 H GLU A 40 6.716 -2.842 2.173 1.00 0.00 H new ATOM 0 HA GLU A 40 7.664 -3.115 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.058 -5.695 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.129 -5.255 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.731 -4.910 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.763 -6.311 1.543 1.00 0.00 H new ATOM 642 N GLY A 41 5.140 -1.947 -0.473 1.00 0.00 N ATOM 643 CA GLY A 41 4.245 -1.294 -1.408 1.00 0.00 C ATOM 644 C GLY A 41 4.775 0.044 -1.876 1.00 0.00 C ATOM 645 O GLY A 41 5.917 0.143 -2.326 1.00 0.00 O ATOM 0 H GLY A 41 5.218 -1.491 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.090 -1.942 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.272 -1.152 -0.937 1.00 0.00 H new ATOM 649 N GLN A 42 3.942 1.071 -1.782 1.00 0.00 N ATOM 650 CA GLN A 42 4.323 2.408 -2.210 1.00 0.00 C ATOM 651 C GLN A 42 3.416 3.415 -1.547 1.00 0.00 C ATOM 652 O GLN A 42 2.315 3.066 -1.131 1.00 0.00 O ATOM 653 CB GLN A 42 4.198 2.542 -3.728 1.00 0.00 C ATOM 654 CG GLN A 42 4.427 3.956 -4.240 1.00 0.00 C ATOM 655 CD GLN A 42 4.110 4.102 -5.714 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.725 3.455 -6.561 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.143 4.957 -6.028 1.00 0.00 N ATOM 0 H GLN A 42 2.994 1.002 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 42 5.360 2.588 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.916 1.873 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.205 2.212 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.809 4.649 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.466 4.237 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.659 5.473 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.884 5.098 -7.004 1.00 0.00 H new ATOM 666 N LEU A 43 3.835 4.665 -1.458 1.00 0.00 N ATOM 667 CA LEU A 43 2.962 5.633 -0.855 1.00 0.00 C ATOM 668 C LEU A 43 1.902 5.965 -1.887 1.00 0.00 C ATOM 669 O LEU A 43 2.186 6.538 -2.939 1.00 0.00 O ATOM 670 CB LEU A 43 3.750 6.885 -0.442 1.00 0.00 C ATOM 671 CG LEU A 43 3.198 7.689 0.745 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.524 6.794 1.765 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.315 8.480 1.404 1.00 0.00 C ATOM 0 H LEU A 43 4.736 5.015 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 43 2.502 5.240 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.769 6.582 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.809 7.549 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 43 2.446 8.376 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.147 7.400 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.695 6.266 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.245 6.071 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.913 9.046 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.083 7.795 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.751 9.167 0.679 1.00 0.00 H new ATOM 685 N VAL A 44 0.687 5.550 -1.560 1.00 0.00 N ATOM 686 CA VAL A 44 -0.492 5.715 -2.403 1.00 0.00 C ATOM 687 C VAL A 44 -0.240 6.499 -3.679 1.00 0.00 C ATOM 688 O VAL A 44 -0.166 5.926 -4.766 1.00 0.00 O ATOM 689 CB VAL A 44 -1.625 6.383 -1.622 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.807 5.445 -1.528 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.146 6.793 -0.241 1.00 0.00 C ATOM 0 H VAL A 44 0.487 5.077 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.773 4.705 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.939 7.284 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.610 5.927 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.157 5.200 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.507 4.531 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.964 7.267 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.811 5.911 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.319 7.496 -0.337 1.00 0.00 H new ATOM 701 N SER A 45 -0.146 7.811 -3.542 1.00 0.00 N ATOM 702 CA SER A 45 0.061 8.688 -4.688 1.00 0.00 C ATOM 703 C SER A 45 -1.162 8.635 -5.598 1.00 0.00 C ATOM 704 O SER A 45 -1.055 8.344 -6.790 1.00 0.00 O ATOM 705 CB SER A 45 1.314 8.278 -5.465 1.00 0.00 C ATOM 706 OG SER A 45 2.240 9.346 -5.541 1.00 0.00 O ATOM 0 H SER A 45 -0.210 8.296 -2.647 1.00 0.00 H new ATOM 0 HA SER A 45 0.202 9.708 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.782 7.421 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.035 7.963 -6.470 1.00 0.00 H new ATOM 0 HG SER A 45 2.355 9.613 -6.477 1.00 0.00 H new ATOM 712 N ILE A 46 -2.325 8.900 -5.011 1.00 0.00 N ATOM 713 CA ILE A 46 -3.588 8.870 -5.744 1.00 0.00 C ATOM 714 C ILE A 46 -3.520 9.718 -7.008 1.00 0.00 C ATOM 715 O ILE A 46 -2.944 10.807 -7.010 1.00 0.00 O ATOM 716 CB ILE A 46 -4.779 9.354 -4.882 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.303 9.910 -3.532 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.779 8.223 -4.679 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.987 8.845 -2.501 1.00 0.00 C ATOM 0 H ILE A 46 -2.420 9.139 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.752 7.826 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.274 10.165 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.413 10.518 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.072 10.571 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.611 8.578 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.153 7.890 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.289 7.391 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.658 9.320 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.880 8.251 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.195 8.197 -2.878 1.00 0.00 H new ATOM 731 N HIS A 47 -4.111 9.207 -8.083 1.00 0.00 N ATOM 732 CA HIS A 47 -4.122 9.910 -9.361 1.00 0.00 C ATOM 733 C HIS A 47 -5.529 9.950 -9.946 1.00 0.00 C ATOM 734 O HIS A 47 -5.758 10.554 -10.995 1.00 0.00 O ATOM 735 CB HIS A 47 -3.170 9.234 -10.347 1.00 0.00 C ATOM 736 CG HIS A 47 -3.267 7.740 -10.346 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.468 7.063 -10.292 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.303 6.789 -10.394 1.00 0.00 C ATOM 739 CE1 HIS A 47 -4.239 5.762 -10.306 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.934 5.570 -10.368 1.00 0.00 N ATOM 0 H HIS A 47 -4.590 8.306 -8.094 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.789 10.933 -9.187 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.379 9.603 -11.351 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.147 9.523 -10.108 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.237 6.958 -10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.991 4.987 -10.272 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.470 4.662 -10.393 1.00 0.00 H new ATOM 749 N SER A 48 -6.470 9.306 -9.262 1.00 0.00 N ATOM 750 CA SER A 48 -7.852 9.273 -9.715 1.00 0.00 C ATOM 751 C SER A 48 -8.764 9.929 -8.690 1.00 0.00 C ATOM 752 O SER A 48 -8.794 9.520 -7.530 1.00 0.00 O ATOM 753 CB SER A 48 -8.296 7.830 -9.963 1.00 0.00 C ATOM 754 OG SER A 48 -9.393 7.782 -10.860 1.00 0.00 O ATOM 0 H SER A 48 -6.298 8.801 -8.393 1.00 0.00 H new ATOM 0 HA SER A 48 -7.920 9.829 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.464 7.255 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.574 7.364 -9.018 1.00 0.00 H new ATOM 0 HG SER A 48 -9.657 6.849 -11.004 1.00 0.00 H new ATOM 760 N PRO A 49 -9.527 10.957 -9.102 1.00 0.00 N ATOM 761 CA PRO A 49 -10.445 11.655 -8.204 1.00 0.00 C ATOM 762 C PRO A 49 -11.277 10.675 -7.390 1.00 0.00 C ATOM 763 O PRO A 49 -11.679 10.965 -6.264 1.00 0.00 O ATOM 764 CB PRO A 49 -11.328 12.458 -9.159 1.00 0.00 C ATOM 765 CG PRO A 49 -10.457 12.715 -10.342 1.00 0.00 C ATOM 766 CD PRO A 49 -9.562 11.510 -10.470 1.00 0.00 C ATOM 0 HA PRO A 49 -9.929 12.275 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.222 11.900 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.663 13.389 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.054 12.855 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.871 13.623 -10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.960 10.789 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.566 11.785 -10.817 1.00 0.00 H new ATOM 774 N GLU A 50 -11.517 9.503 -7.971 1.00 0.00 N ATOM 775 CA GLU A 50 -12.283 8.464 -7.303 1.00 0.00 C ATOM 776 C GLU A 50 -11.469 7.821 -6.196 1.00 0.00 C ATOM 777 O GLU A 50 -11.961 7.616 -5.090 1.00 0.00 O ATOM 778 CB GLU A 50 -12.724 7.392 -8.297 1.00 0.00 C ATOM 779 CG GLU A 50 -13.388 6.197 -7.637 1.00 0.00 C ATOM 780 CD GLU A 50 -13.322 4.947 -8.492 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.214 4.600 -8.952 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.379 4.315 -8.704 1.00 0.00 O ATOM 0 H GLU A 50 -11.190 9.252 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.166 8.933 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.417 7.834 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.856 7.051 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.907 6.003 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.431 6.435 -7.428 1.00 0.00 H new ATOM 789 N GLU A 51 -10.221 7.489 -6.509 1.00 0.00 N ATOM 790 CA GLU A 51 -9.343 6.857 -5.545 1.00 0.00 C ATOM 791 C GLU A 51 -9.087 7.782 -4.363 1.00 0.00 C ATOM 792 O GLU A 51 -9.186 7.368 -3.210 1.00 0.00 O ATOM 793 CB GLU A 51 -8.024 6.456 -6.208 1.00 0.00 C ATOM 794 CG GLU A 51 -8.166 5.313 -7.201 1.00 0.00 C ATOM 795 CD GLU A 51 -8.123 3.954 -6.533 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.010 3.429 -6.321 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.205 3.412 -6.221 1.00 0.00 O ATOM 0 H GLU A 51 -9.800 7.649 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.832 5.956 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.606 7.322 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.311 6.169 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.107 5.419 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.367 5.376 -7.940 1.00 0.00 H new ATOM 804 N GLN A 52 -8.774 9.042 -4.655 1.00 0.00 N ATOM 805 CA GLN A 52 -8.525 10.022 -3.608 1.00 0.00 C ATOM 806 C GLN A 52 -9.750 10.133 -2.714 1.00 0.00 C ATOM 807 O GLN A 52 -9.636 10.197 -1.493 1.00 0.00 O ATOM 808 CB GLN A 52 -8.160 11.386 -4.214 1.00 0.00 C ATOM 809 CG GLN A 52 -9.359 12.198 -4.693 1.00 0.00 C ATOM 810 CD GLN A 52 -9.904 13.166 -3.649 1.00 0.00 C ATOM 811 OE1 GLN A 52 -9.422 13.068 -2.412 1.00 0.00 O flip ATOM 812 NE2 GLN A 52 -10.756 14.000 -3.956 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.688 9.405 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.678 9.693 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.615 11.967 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.483 11.229 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.073 12.760 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.154 11.514 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.102 14.046 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.115 14.645 -3.252 1.00 0.00 H new ATOM 821 N ASP A 53 -10.920 10.120 -3.341 1.00 0.00 N ATOM 822 CA ASP A 53 -12.183 10.184 -2.628 1.00 0.00 C ATOM 823 C ASP A 53 -12.410 8.879 -1.881 1.00 0.00 C ATOM 824 O ASP A 53 -12.994 8.856 -0.799 1.00 0.00 O ATOM 825 CB ASP A 53 -13.334 10.440 -3.601 1.00 0.00 C ATOM 826 CG ASP A 53 -14.614 10.837 -2.892 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.561 11.742 -2.033 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.670 10.243 -3.196 1.00 0.00 O ATOM 0 H ASP A 53 -11.017 10.065 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.147 11.007 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.048 11.228 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.513 9.542 -4.192 1.00 0.00 H new ATOM 833 N PHE A 54 -11.952 7.791 -2.491 1.00 0.00 N ATOM 834 CA PHE A 54 -12.099 6.462 -1.929 1.00 0.00 C ATOM 835 C PHE A 54 -11.425 6.369 -0.569 1.00 0.00 C ATOM 836 O PHE A 54 -12.043 5.963 0.416 1.00 0.00 O ATOM 837 CB PHE A 54 -11.456 5.461 -2.886 1.00 0.00 C ATOM 838 CG PHE A 54 -12.408 4.471 -3.476 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.339 4.870 -4.417 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.363 3.141 -3.100 1.00 0.00 C ATOM 841 CE1 PHE A 54 -14.214 3.962 -4.975 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.235 2.223 -3.652 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.163 2.633 -4.591 1.00 0.00 C ATOM 0 H PHE A 54 -11.469 7.810 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.159 6.243 -1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.973 6.009 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.672 4.921 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.381 5.906 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.639 2.817 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.937 4.287 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.192 1.187 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.847 1.918 -5.024 1.00 0.00 H new ATOM 853 N LEU A 55 -10.165 6.771 -0.515 1.00 0.00 N ATOM 854 CA LEU A 55 -9.417 6.759 0.732 1.00 0.00 C ATOM 855 C LEU A 55 -9.874 7.900 1.623 1.00 0.00 C ATOM 856 O LEU A 55 -9.862 7.790 2.846 1.00 0.00 O ATOM 857 CB LEU A 55 -7.922 6.867 0.477 1.00 0.00 C ATOM 858 CG LEU A 55 -7.537 7.717 -0.722 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.789 8.945 -0.258 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.701 6.912 -1.698 1.00 0.00 C ATOM 0 H LEU A 55 -9.639 7.110 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.609 5.810 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.446 7.281 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.519 5.864 0.337 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.443 8.034 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.515 9.552 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.425 9.528 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.887 8.642 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.435 7.537 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.793 6.568 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.274 6.051 -2.044 1.00 0.00 H new ATOM 872 N THR A 56 -10.270 8.999 0.990 1.00 0.00 N ATOM 873 CA THR A 56 -10.733 10.172 1.712 1.00 0.00 C ATOM 874 C THR A 56 -11.951 9.813 2.554 1.00 0.00 C ATOM 875 O THR A 56 -12.060 10.212 3.713 1.00 0.00 O ATOM 876 CB THR A 56 -11.069 11.306 0.732 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.170 12.389 0.888 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.471 11.849 0.887 1.00 0.00 C ATOM 0 H THR A 56 -10.278 9.099 -0.025 1.00 0.00 H new ATOM 0 HA THR A 56 -9.939 10.518 2.373 1.00 0.00 H new ATOM 0 HB THR A 56 -10.983 10.857 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.400 13.099 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.635 12.646 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.192 11.049 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.599 12.244 1.895 1.00 0.00 H new ATOM 886 N LYS A 57 -12.850 9.035 1.963 1.00 0.00 N ATOM 887 CA LYS A 57 -14.047 8.593 2.654 1.00 0.00 C ATOM 888 C LYS A 57 -13.677 7.523 3.669 1.00 0.00 C ATOM 889 O LYS A 57 -14.254 7.448 4.754 1.00 0.00 O ATOM 890 CB LYS A 57 -15.072 8.045 1.658 1.00 0.00 C ATOM 891 CG LYS A 57 -16.484 8.553 1.899 1.00 0.00 C ATOM 892 CD LYS A 57 -16.963 9.430 0.754 1.00 0.00 C ATOM 893 CE LYS A 57 -16.639 10.895 1.002 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.603 11.801 0.318 1.00 0.00 N ATOM 0 H LYS A 57 -12.769 8.698 1.004 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.494 9.443 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.765 8.315 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.072 6.956 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.161 7.707 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.514 9.119 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.495 9.105 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.039 9.310 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.652 11.093 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.629 11.108 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.347 12.790 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.572 11.630 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.564 11.616 0.671 1.00 0.00 H new ATOM 907 N HIS A 58 -12.695 6.704 3.304 1.00 0.00 N ATOM 908 CA HIS A 58 -12.221 5.643 4.177 1.00 0.00 C ATOM 909 C HIS A 58 -11.472 6.227 5.370 1.00 0.00 C ATOM 910 O HIS A 58 -11.420 5.619 6.439 1.00 0.00 O ATOM 911 CB HIS A 58 -11.311 4.686 3.406 1.00 0.00 C ATOM 912 CG HIS A 58 -11.564 3.243 3.716 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.468 2.469 3.017 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.022 2.430 4.654 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.473 1.245 3.514 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.605 1.195 4.507 1.00 0.00 N ATOM 0 H HIS A 58 -12.213 6.758 2.407 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.085 5.089 4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.447 4.849 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.272 4.922 3.634 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.042 2.792 2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.272 2.702 5.382 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.084 0.425 3.167 1.00 0.00 H new ATOM 978 N GLY A 63 -7.297 12.090 8.555 1.00 0.00 N ATOM 979 CA GLY A 63 -7.035 12.102 7.127 1.00 0.00 C ATOM 980 C GLY A 63 -6.140 10.959 6.692 1.00 0.00 C ATOM 981 O GLY A 63 -5.962 9.987 7.426 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.980 12.045 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.569 13.049 6.854 1.00 0.00 H new ATOM 985 N SER A 64 -5.577 11.074 5.492 1.00 0.00 N ATOM 986 CA SER A 64 -4.696 10.041 4.959 1.00 0.00 C ATOM 987 C SER A 64 -3.440 10.656 4.342 1.00 0.00 C ATOM 988 O SER A 64 -3.431 11.831 3.974 1.00 0.00 O ATOM 989 CB SER A 64 -5.436 9.204 3.912 1.00 0.00 C ATOM 990 OG SER A 64 -5.051 9.571 2.599 1.00 0.00 O ATOM 0 H SER A 64 -5.716 11.872 4.872 1.00 0.00 H new ATOM 0 HA SER A 64 -4.392 9.397 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.226 8.147 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.511 9.337 4.029 1.00 0.00 H new ATOM 0 HG SER A 64 -5.837 9.881 2.102 1.00 0.00 H new ATOM 996 N TRP A 65 -2.389 9.850 4.223 1.00 0.00 N ATOM 997 CA TRP A 65 -1.132 10.309 3.638 1.00 0.00 C ATOM 998 C TRP A 65 -0.989 9.751 2.230 1.00 0.00 C ATOM 999 O TRP A 65 -1.198 8.562 2.005 1.00 0.00 O ATOM 1000 CB TRP A 65 0.055 9.865 4.499 1.00 0.00 C ATOM 1001 CG TRP A 65 0.501 10.891 5.500 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.098 12.093 5.238 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.396 10.801 6.926 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.370 12.750 6.416 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.946 11.980 7.463 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.112 9.840 7.800 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 1.003 12.219 8.833 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.056 10.079 9.161 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.499 11.260 9.666 1.00 0.00 C ATOM 0 H TRP A 65 -2.382 8.875 4.524 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.141 11.398 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.214 8.950 5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.893 9.621 3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.323 12.471 4.252 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.816 13.664 6.495 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.542 8.925 7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.431 13.130 9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.447 9.341 9.846 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.530 11.417 10.734 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.644 10.614 1.286 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.490 10.200 -0.102 1.00 0.00 C ATOM 1022 C ILE A 66 0.965 10.233 -0.537 1.00 0.00 C ATOM 1023 O ILE A 66 1.818 10.785 0.153 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.316 11.084 -1.049 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.574 12.390 -1.328 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.689 11.350 -0.450 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.426 13.456 -1.973 1.00 0.00 C ATOM 0 H ILE A 66 -0.465 11.604 1.455 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.856 9.175 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.454 10.564 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.175 12.777 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.278 12.180 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.267 11.977 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.209 10.404 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.576 11.859 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.826 14.351 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.804 13.091 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.264 13.697 -1.319 1.00 0.00 H new ATOM 1039 N GLY A 67 1.232 9.633 -1.688 1.00 0.00 N ATOM 1040 CA GLY A 67 2.581 9.595 -2.218 1.00 0.00 C ATOM 1041 C GLY A 67 3.016 10.919 -2.817 1.00 0.00 C ATOM 1042 O GLY A 67 3.440 10.973 -3.969 1.00 0.00 O ATOM 0 H GLY A 67 0.534 9.169 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.271 9.318 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.645 8.818 -2.980 1.00 0.00 H new ATOM 1046 N LEU A 68 2.913 11.991 -2.036 1.00 0.00 N ATOM 1047 CA LEU A 68 3.302 13.311 -2.511 1.00 0.00 C ATOM 1048 C LEU A 68 4.336 13.963 -1.597 1.00 0.00 C ATOM 1049 O LEU A 68 4.128 14.097 -0.391 1.00 0.00 O ATOM 1050 CB LEU A 68 2.073 14.220 -2.621 1.00 0.00 C ATOM 1051 CG LEU A 68 2.272 15.497 -3.445 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.127 16.505 -2.691 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.895 15.171 -4.789 1.00 0.00 C ATOM 0 H LEU A 68 2.565 11.970 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 68 3.753 13.180 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.257 13.647 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.759 14.502 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 68 1.293 15.945 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.253 17.402 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.638 16.767 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.104 16.069 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.029 16.090 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.863 14.695 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.241 14.494 -5.339 1.00 0.00 H new ATOM 1065 N ARG A 69 5.432 14.396 -2.204 1.00 0.00 N ATOM 1066 CA ARG A 69 6.504 15.079 -1.496 1.00 0.00 C ATOM 1067 C ARG A 69 7.006 16.247 -2.344 1.00 0.00 C ATOM 1068 O ARG A 69 7.451 16.050 -3.473 1.00 0.00 O ATOM 1069 CB ARG A 69 7.647 14.104 -1.191 1.00 0.00 C ATOM 1070 CG ARG A 69 8.982 14.783 -0.925 1.00 0.00 C ATOM 1071 CD ARG A 69 8.935 15.631 0.335 1.00 0.00 C ATOM 1072 NE ARG A 69 10.258 15.805 0.928 1.00 0.00 N ATOM 1073 CZ ARG A 69 10.723 15.057 1.925 1.00 0.00 C ATOM 1074 NH1 ARG A 69 9.975 14.088 2.437 1.00 0.00 N ATOM 1075 NH2 ARG A 69 11.937 15.278 2.409 1.00 0.00 N ATOM 0 H ARG A 69 5.603 14.283 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 69 6.125 15.462 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.377 13.503 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.760 13.418 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.762 14.028 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.249 15.409 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.512 16.608 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.271 15.164 1.062 1.00 0.00 H new ATOM 0 HE ARG A 69 10.859 16.541 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.041 13.915 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.334 13.516 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.515 16.022 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.293 14.704 3.173 1.00 0.00 H new ATOM 1089 N ASN A 70 6.931 17.458 -1.807 1.00 0.00 N ATOM 1090 CA ASN A 70 7.378 18.635 -2.545 1.00 0.00 C ATOM 1091 C ASN A 70 8.826 18.976 -2.212 1.00 0.00 C ATOM 1092 O ASN A 70 9.299 18.717 -1.105 1.00 0.00 O ATOM 1093 CB ASN A 70 6.462 19.828 -2.248 1.00 0.00 C ATOM 1094 CG ASN A 70 7.185 21.158 -2.337 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.450 21.802 -1.323 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.506 21.575 -3.556 1.00 0.00 N ATOM 0 H ASN A 70 6.569 17.652 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 70 7.325 18.408 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.629 19.825 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.038 19.716 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.993 22.463 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.266 21.007 -4.369 1.00 0.00 H new ATOM 1196 N PHE A 77 5.528 19.853 -6.443 1.00 0.00 N ATOM 1197 CA PHE A 77 5.197 18.632 -5.721 1.00 0.00 C ATOM 1198 C PHE A 77 5.530 17.406 -6.563 1.00 0.00 C ATOM 1199 O PHE A 77 5.007 17.231 -7.663 1.00 0.00 O ATOM 1200 CB PHE A 77 3.710 18.608 -5.335 1.00 0.00 C ATOM 1201 CG PHE A 77 3.160 19.914 -4.811 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.990 20.991 -4.530 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.795 20.061 -4.607 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.474 22.183 -4.062 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.275 21.252 -4.138 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.114 22.314 -3.868 1.00 0.00 C ATOM 0 HA PHE A 77 5.794 18.611 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.129 18.312 -6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.560 17.839 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.055 20.895 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.132 19.235 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.133 23.011 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.211 21.352 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.707 23.246 -3.505 1.00 0.00 H new ATOM 1216 N ILE A 78 6.402 16.562 -6.032 1.00 0.00 N ATOM 1217 CA ILE A 78 6.819 15.347 -6.714 1.00 0.00 C ATOM 1218 C ILE A 78 6.362 14.118 -5.939 1.00 0.00 C ATOM 1219 O ILE A 78 6.378 14.109 -4.713 1.00 0.00 O ATOM 1220 CB ILE A 78 8.351 15.302 -6.905 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.698 15.543 -8.384 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.923 13.981 -6.397 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.523 14.446 -9.031 1.00 0.00 C ATOM 0 H ILE A 78 6.838 16.699 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 78 6.352 15.348 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 78 8.809 16.096 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.771 15.660 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.242 16.484 -8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.003 13.973 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.698 13.871 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.476 13.155 -6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.718 14.703 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.469 14.341 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.975 13.505 -8.987 1.00 0.00 H new ATOM 1235 N TRP A 79 5.956 13.083 -6.657 1.00 0.00 N ATOM 1236 CA TRP A 79 5.494 11.860 -6.020 1.00 0.00 C ATOM 1237 C TRP A 79 6.669 11.087 -5.433 1.00 0.00 C ATOM 1238 O TRP A 79 7.786 11.153 -5.947 1.00 0.00 O ATOM 1239 CB TRP A 79 4.756 10.978 -7.032 1.00 0.00 C ATOM 1240 CG TRP A 79 3.391 11.481 -7.398 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.821 12.665 -7.027 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.422 10.808 -8.211 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.558 12.767 -7.557 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.290 11.641 -8.290 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.403 9.582 -8.881 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.154 11.286 -9.010 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.274 9.231 -9.597 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.163 10.081 -9.656 1.00 0.00 C ATOM 0 H TRP A 79 5.937 13.065 -7.677 1.00 0.00 H new ATOM 0 HA TRP A 79 4.810 12.133 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.358 10.900 -7.937 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.664 9.972 -6.623 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.294 13.412 -6.407 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.922 13.554 -7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.256 8.920 -8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.705 11.939 -9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.248 8.286 -10.119 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.705 9.779 -10.223 1.00 0.00 H new ATOM 1259 N VAL A 80 6.410 10.361 -4.350 1.00 0.00 N ATOM 1260 CA VAL A 80 7.444 9.576 -3.684 1.00 0.00 C ATOM 1261 C VAL A 80 8.047 8.559 -4.648 1.00 0.00 C ATOM 1262 O VAL A 80 9.211 8.175 -4.519 1.00 0.00 O ATOM 1263 CB VAL A 80 6.871 8.837 -2.457 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.482 8.314 -2.765 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.790 7.706 -2.014 1.00 0.00 C ATOM 0 H VAL A 80 5.490 10.300 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 80 8.220 10.265 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 80 6.803 9.546 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.087 7.794 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.827 9.148 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.532 7.623 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.359 7.205 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.904 6.990 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.766 8.113 -1.749 1.00 0.00 H new ATOM 1275 N ASP A 81 7.248 8.134 -5.620 1.00 0.00 N ATOM 1276 CA ASP A 81 7.700 7.171 -6.613 1.00 0.00 C ATOM 1277 C ASP A 81 8.433 7.879 -7.743 1.00 0.00 C ATOM 1278 O ASP A 81 8.724 7.284 -8.781 1.00 0.00 O ATOM 1279 CB ASP A 81 6.512 6.384 -7.170 1.00 0.00 C ATOM 1280 CG ASP A 81 6.936 5.086 -7.829 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.697 4.321 -7.200 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.508 4.835 -8.975 1.00 0.00 O ATOM 0 H ASP A 81 6.283 8.442 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 81 8.387 6.475 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.813 6.167 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.980 7.000 -7.895 1.00 0.00 H new ATOM 1287 N GLY A 82 8.724 9.157 -7.531 1.00 0.00 N ATOM 1288 CA GLY A 82 9.415 9.939 -8.535 1.00 0.00 C ATOM 1289 C GLY A 82 8.618 10.047 -9.817 1.00 0.00 C ATOM 1290 O GLY A 82 9.165 9.903 -10.911 1.00 0.00 O ATOM 0 H GLY A 82 8.492 9.666 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.611 10.938 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.382 9.484 -8.747 1.00 0.00 H new ATOM 1294 N SER A 83 7.319 10.291 -9.681 1.00 0.00 N ATOM 1295 CA SER A 83 6.441 10.405 -10.839 1.00 0.00 C ATOM 1296 C SER A 83 5.823 11.797 -10.944 1.00 0.00 C ATOM 1297 O SER A 83 5.179 12.120 -11.943 1.00 0.00 O ATOM 1298 CB SER A 83 5.337 9.349 -10.772 1.00 0.00 C ATOM 1299 OG SER A 83 4.509 9.402 -11.921 1.00 0.00 O ATOM 0 H SER A 83 6.852 10.413 -8.782 1.00 0.00 H new ATOM 0 HA SER A 83 7.048 10.239 -11.729 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.782 8.358 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.734 9.506 -9.878 1.00 0.00 H new ATOM 0 HG SER A 83 4.422 10.332 -12.219 1.00 0.00 H new ATOM 1305 N HIS A 84 6.018 12.615 -9.911 1.00 0.00 N ATOM 1306 CA HIS A 84 5.475 13.971 -9.893 1.00 0.00 C ATOM 1307 C HIS A 84 3.947 13.949 -9.935 1.00 0.00 C ATOM 1308 O HIS A 84 3.340 12.942 -10.298 1.00 0.00 O ATOM 1309 CB HIS A 84 6.023 14.782 -11.072 1.00 0.00 C ATOM 1310 CG HIS A 84 5.655 16.233 -11.035 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.308 17.156 -10.246 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.697 16.922 -11.699 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.768 18.349 -10.426 1.00 0.00 C ATOM 1314 NE2 HIS A 84 4.788 18.233 -11.303 1.00 0.00 N ATOM 0 H HIS A 84 6.548 12.362 -9.077 1.00 0.00 H new ATOM 0 HA HIS A 84 5.786 14.446 -8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.109 14.693 -11.087 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.655 14.348 -12.001 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.992 16.515 -12.409 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.076 19.262 -9.939 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.195 18.994 -11.633 1.00 0.00 H new ATOM 1323 N VAL A 85 3.334 15.065 -9.556 1.00 0.00 N ATOM 1324 CA VAL A 85 1.880 15.174 -9.548 1.00 0.00 C ATOM 1325 C VAL A 85 1.304 15.006 -10.951 1.00 0.00 C ATOM 1326 O VAL A 85 1.949 15.349 -11.942 1.00 0.00 O ATOM 1327 CB VAL A 85 1.424 16.528 -8.971 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.091 16.629 -8.975 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.967 16.717 -7.566 1.00 0.00 C ATOM 0 H VAL A 85 3.822 15.907 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 85 1.506 14.372 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 85 1.821 17.322 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.393 17.592 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.459 16.540 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.511 15.828 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.635 17.678 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.600 15.917 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.056 16.692 -7.591 1.00 0.00 H new ATOM 1339 N ASP A 86 0.086 14.474 -11.026 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.577 14.259 -12.307 1.00 0.00 C ATOM 1341 C ASP A 86 -1.880 15.051 -12.396 1.00 0.00 C ATOM 1342 O ASP A 86 -2.227 15.568 -13.457 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.859 12.769 -12.511 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.126 12.202 -13.712 1.00 0.00 C ATOM 1345 OD1 ASP A 86 -0.689 12.244 -14.825 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.013 11.717 -13.537 1.00 0.00 O ATOM 0 H ASP A 86 -0.460 14.185 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 86 0.090 14.612 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.564 12.220 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.931 12.619 -12.639 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.600 15.138 -11.281 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.866 15.865 -11.246 1.00 0.00 C ATOM 1353 C TYR A 87 -3.921 16.832 -10.067 1.00 0.00 C ATOM 1354 O TYR A 87 -4.497 17.915 -10.170 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.039 14.885 -11.169 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.665 14.585 -12.512 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.112 13.635 -13.362 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.811 15.251 -12.930 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.680 13.358 -14.591 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.386 14.979 -14.158 1.00 0.00 C ATOM 1361 CZ TYR A 87 -6.817 14.033 -14.983 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.388 13.759 -16.206 1.00 0.00 O ATOM 0 H TYR A 87 -2.330 14.716 -10.393 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.940 16.446 -12.166 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.694 13.953 -10.722 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.801 15.294 -10.505 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.223 13.104 -13.057 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.260 15.993 -12.286 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.236 12.618 -15.240 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.276 15.505 -14.469 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.183 14.319 -16.329 1.00 0.00 H new ATOM 1372 N SER A 88 -3.318 16.431 -8.950 1.00 0.00 N ATOM 1373 CA SER A 88 -3.289 17.250 -7.736 1.00 0.00 C ATOM 1374 C SER A 88 -4.698 17.534 -7.224 1.00 0.00 C ATOM 1375 O SER A 88 -5.653 17.590 -7.997 1.00 0.00 O ATOM 1376 CB SER A 88 -2.552 18.570 -7.982 1.00 0.00 C ATOM 1377 OG SER A 88 -2.147 18.698 -9.334 1.00 0.00 O ATOM 0 H SER A 88 -2.838 15.536 -8.859 1.00 0.00 H new ATOM 0 HA SER A 88 -2.752 16.682 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.201 19.404 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.678 18.626 -7.333 1.00 0.00 H new ATOM 0 HG SER A 88 -1.682 19.552 -9.457 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.824 17.705 -5.910 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.122 17.972 -5.304 1.00 0.00 C ATOM 1385 C ASN A 89 -6.052 19.073 -4.241 1.00 0.00 C ATOM 1386 O ASN A 89 -7.092 19.522 -3.759 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.680 16.693 -4.679 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.105 15.666 -5.707 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.312 15.985 -6.878 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.245 14.421 -5.268 1.00 0.00 N ATOM 0 H ASN A 89 -4.048 17.663 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.783 18.320 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.924 16.255 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.535 16.945 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.535 13.683 -5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.063 14.202 -4.289 1.00 0.00 H new ATOM 1592 N CYS A 104 4.539 18.083 2.156 1.00 0.00 N ATOM 1593 CA CYS A 104 3.738 16.885 1.933 1.00 0.00 C ATOM 1594 C CYS A 104 2.262 17.240 1.778 1.00 0.00 C ATOM 1595 O CYS A 104 1.824 18.316 2.187 1.00 0.00 O ATOM 1596 CB CYS A 104 3.918 15.901 3.090 1.00 0.00 C ATOM 1597 SG CYS A 104 3.292 16.510 4.688 1.00 0.00 S ATOM 0 HA CYS A 104 4.081 16.416 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.408 14.970 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.978 15.667 3.192 1.00 0.00 H new ATOM 0 HG CYS A 104 2.448 17.477 4.483 1.00 0.00 H new ATOM 1602 N VAL A 105 1.503 16.330 1.178 1.00 0.00 N ATOM 1603 CA VAL A 105 0.080 16.543 0.961 1.00 0.00 C ATOM 1604 C VAL A 105 -0.761 15.522 1.727 1.00 0.00 C ATOM 1605 O VAL A 105 -0.434 14.337 1.774 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.261 16.476 -0.538 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.763 16.501 -0.755 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.396 17.628 -1.276 1.00 0.00 C ATOM 0 H VAL A 105 1.852 15.436 0.833 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.159 17.538 1.337 1.00 0.00 H new ATOM 0 HB VAL A 105 0.124 15.536 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.977 16.453 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.217 15.646 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.175 17.423 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.148 17.570 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.035 18.573 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.477 17.569 -1.153 1.00 0.00 H new ATOM 1618 N MET A 106 -1.843 16.004 2.328 1.00 0.00 N ATOM 1619 CA MET A 106 -2.750 15.166 3.104 1.00 0.00 C ATOM 1620 C MET A 106 -4.197 15.471 2.727 1.00 0.00 C ATOM 1621 O MET A 106 -4.463 16.432 2.016 1.00 0.00 O ATOM 1622 CB MET A 106 -2.524 15.376 4.607 1.00 0.00 C ATOM 1623 CG MET A 106 -3.539 16.298 5.266 1.00 0.00 C ATOM 1624 SD MET A 106 -2.843 17.225 6.646 1.00 0.00 S ATOM 1625 CE MET A 106 -4.333 17.727 7.504 1.00 0.00 C ATOM 0 H MET A 106 -2.116 16.986 2.291 1.00 0.00 H new ATOM 0 HA MET A 106 -2.545 14.121 2.874 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.551 14.407 5.106 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.525 15.785 4.759 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.926 16.996 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.384 15.708 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.066 18.312 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.949 18.333 6.839 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.891 16.843 7.811 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.613 17.108 -0.960 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.281 17.254 -0.390 1.00 0.00 C ATOM 1727 C TRP A 113 -6.032 18.662 0.094 1.00 0.00 C ATOM 1728 O TRP A 113 -6.672 19.616 -0.343 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.186 16.997 -1.419 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.161 15.647 -2.038 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.981 14.590 -1.793 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.243 15.229 -3.041 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.624 13.530 -2.592 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.553 13.900 -3.369 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.185 15.865 -3.693 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.837 13.186 -4.329 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.473 15.160 -4.646 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.802 13.832 -4.957 1.00 0.00 C ATOM 0 HA TRP A 113 -6.247 16.530 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.286 17.735 -2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.222 17.171 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.791 14.584 -1.078 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.080 12.618 -2.606 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.928 16.887 -3.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.088 12.163 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.652 15.639 -5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.228 13.307 -5.707 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.024 18.776 0.932 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.575 20.051 1.417 1.00 0.00 C ATOM 1751 C ASN A 114 -3.055 20.028 1.425 1.00 0.00 C ATOM 1752 O ASN A 114 -2.438 19.203 2.099 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.117 20.326 2.820 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.629 20.256 2.880 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.313 21.276 2.797 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.161 19.048 3.026 1.00 0.00 N ATOM 0 H ASN A 114 -4.496 17.982 1.293 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.942 20.849 0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.695 19.603 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.789 21.313 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.174 18.939 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.557 18.229 3.091 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.459 20.926 0.661 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.016 21.007 0.560 1.00 0.00 C ATOM 1765 C ASP A 115 -0.441 21.873 1.673 1.00 0.00 C ATOM 1766 O ASP A 115 -0.862 23.013 1.871 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.623 21.563 -0.807 1.00 0.00 C ATOM 1768 CG ASP A 115 0.877 21.546 -1.014 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.433 20.452 -1.244 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.497 22.628 -0.942 1.00 0.00 O ATOM 0 H ASP A 115 -2.959 21.614 0.098 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.603 20.004 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.104 20.976 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.991 22.584 -0.903 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.235 11.046 11.336 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.260 9.891 12.218 1.00 0.00 C ATOM 1893 C GLY A 123 -3.476 8.574 11.491 1.00 0.00 C ATOM 1894 O GLY A 123 -3.571 7.524 12.127 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.320 9.843 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.052 10.024 12.954 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.554 8.618 10.164 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.758 7.408 9.376 1.00 0.00 C ATOM 1900 C ALA A 124 -2.704 7.278 8.283 1.00 0.00 C ATOM 1901 O ALA A 124 -2.455 8.224 7.539 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.154 7.401 8.771 1.00 0.00 C ATOM 0 H ALA A 124 -3.479 9.474 9.615 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.658 6.551 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.292 6.492 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.896 7.435 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.275 8.271 8.125 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.094 6.098 8.180 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.075 5.856 7.169 1.00 0.00 C ATOM 1910 C TRP A 125 -1.625 4.964 6.071 1.00 0.00 C ATOM 1911 O TRP A 125 -2.229 3.924 6.344 1.00 0.00 O ATOM 1912 CB TRP A 125 0.172 5.221 7.791 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.121 4.003 8.612 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.614 3.974 9.883 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.067 2.637 8.222 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.749 2.675 10.308 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.337 1.836 9.308 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.535 2.013 7.063 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.286 0.445 9.266 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.585 0.632 7.024 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.176 -0.138 8.119 1.00 0.00 C ATOM 0 H TRP A 125 -2.289 5.299 8.784 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.790 6.815 6.736 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.868 4.954 6.996 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.671 5.960 8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.862 4.846 10.470 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.099 2.383 11.220 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.852 2.599 6.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.600 -0.152 10.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.946 0.139 6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.226 -1.215 8.056 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.428 5.378 4.828 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.924 4.613 3.703 1.00 0.00 C ATOM 1934 C VAL A 126 -0.860 4.415 2.629 1.00 0.00 C ATOM 1935 O VAL A 126 -0.231 5.365 2.165 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.164 5.284 3.081 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.123 6.789 3.287 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.281 4.945 1.605 1.00 0.00 C ATOM 0 H VAL A 126 -0.932 6.233 4.578 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.201 3.633 4.092 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.048 4.896 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.008 7.242 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.102 7.010 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.229 7.197 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.164 5.430 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.393 5.296 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.370 3.865 1.486 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.700 3.164 2.232 1.00 0.00 N ATOM 1949 CA CYS A 127 0.242 2.774 1.193 1.00 0.00 C ATOM 1950 C CYS A 127 -0.407 1.701 0.336 1.00 0.00 C ATOM 1951 O CYS A 127 -1.399 1.100 0.747 1.00 0.00 O ATOM 1952 CB CYS A 127 1.553 2.254 1.782 1.00 0.00 C ATOM 1953 SG CYS A 127 2.374 3.405 2.926 1.00 0.00 S ATOM 0 H CYS A 127 -1.224 2.382 2.625 1.00 0.00 H new ATOM 0 HA CYS A 127 0.486 3.650 0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.356 1.319 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.237 2.023 0.966 1.00 0.00 H new ATOM 1958 N ASP A 128 0.130 1.455 -0.846 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.440 0.445 -1.717 1.00 0.00 C ATOM 1960 C ASP A 128 0.604 -0.573 -2.134 1.00 0.00 C ATOM 1961 O ASP A 128 1.767 -0.245 -2.348 1.00 0.00 O ATOM 1962 CB ASP A 128 -1.056 1.098 -2.955 1.00 0.00 C ATOM 1963 CG ASP A 128 -0.045 1.905 -3.747 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.501 2.880 -3.193 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.200 1.559 -4.922 1.00 0.00 O ATOM 0 H ASP A 128 0.949 1.934 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.220 -0.075 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.482 0.326 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.876 1.748 -2.650 1.00 0.00 H new ATOM 1970 N ARG A 129 0.161 -1.814 -2.251 1.00 0.00 N ATOM 1971 CA ARG A 129 1.026 -2.917 -2.643 1.00 0.00 C ATOM 1972 C ARG A 129 0.203 -4.020 -3.293 1.00 0.00 C ATOM 1973 O ARG A 129 -1.020 -4.044 -3.172 1.00 0.00 O ATOM 1974 CB ARG A 129 1.769 -3.471 -1.426 1.00 0.00 C ATOM 1975 CG ARG A 129 0.865 -4.170 -0.424 1.00 0.00 C ATOM 1976 CD ARG A 129 1.305 -5.606 -0.184 1.00 0.00 C ATOM 1977 NE ARG A 129 0.802 -6.129 1.084 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.457 -7.016 1.827 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.635 -7.477 1.431 1.00 0.00 N ATOM 1980 NH2 ARG A 129 0.932 -7.443 2.968 1.00 0.00 N ATOM 0 H ARG A 129 -0.807 -2.086 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 129 1.757 -2.546 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.531 -4.172 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.288 -2.654 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.874 -3.623 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.162 -4.159 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.951 -6.235 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.394 -5.657 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.102 -5.795 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.042 -7.151 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.135 -8.157 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.025 -7.091 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.435 -8.123 3.538 1.00 0.00 H new ATOM 1994 N LEU A 130 0.876 -4.931 -3.977 1.00 0.00 N ATOM 1995 CA LEU A 130 0.190 -6.032 -4.640 1.00 0.00 C ATOM 1996 C LEU A 130 -0.295 -7.061 -3.628 1.00 0.00 C ATOM 1997 O LEU A 130 0.446 -7.466 -2.731 1.00 0.00 O ATOM 1998 CB LEU A 130 1.108 -6.688 -5.673 1.00 0.00 C ATOM 1999 CG LEU A 130 1.842 -5.713 -6.596 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.385 -6.439 -7.816 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.925 -4.570 -7.016 1.00 0.00 C ATOM 0 H LEU A 130 1.890 -4.932 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.682 -5.628 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.846 -7.294 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.515 -7.368 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 130 2.682 -5.290 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.904 -5.729 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.080 -7.216 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.561 -6.893 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.468 -3.890 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.061 -4.972 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.588 -4.030 -6.131 1.00 0.00 H new