USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.291 USER MOD Single : A 42 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 44 CYS SG : rot 80:sc= -0.0952 USER MOD Single : A 46 SER OG : rot -75:sc= 0.49 USER MOD Single : A 47 THR OG1 : rot -167:sc= 1.31 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -18:sc= -1.29 USER MOD Single : A 58 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.049 K(o=-0.049,f=-0.77) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.471 USER MOD Single : A 79 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 82 CYS SG : rot 60:sc= -1.8 USER MOD Single : A 87 ASN : amide:sc=-0.00174 X(o=-0.0017,f=-0.046) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= -2.6! (180deg=-2.89!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -0.0451 (180deg=-0.293) USER MOD Single : A 97 ASN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -110:sc= -0.761 (180deg=-1.15) USER MOD Single : A 99 MET CE :methyl 161:sc= -0.107 (180deg=-0.603) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -7.063 -5.893 8.400 1.00 0.00 N ATOM 143 CA GLN A 34 -6.666 -7.257 8.740 1.00 0.00 C ATOM 144 C GLN A 34 -5.768 -7.864 7.664 1.00 0.00 C ATOM 145 O GLN A 34 -5.485 -9.061 7.686 1.00 0.00 O ATOM 146 CB GLN A 34 -7.903 -8.136 8.944 1.00 0.00 C ATOM 147 CG GLN A 34 -8.756 -7.720 10.132 1.00 0.00 C ATOM 148 CD GLN A 34 -9.922 -8.661 10.370 1.00 0.00 C ATOM 149 OE1 GLN A 34 -11.007 -8.476 9.819 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.702 -9.674 11.199 1.00 0.00 N ATOM 0 HA GLN A 34 -6.098 -7.213 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.513 -8.106 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.585 -9.170 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.134 -7.684 11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.135 -6.712 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.786 -9.788 11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.449 -10.338 11.402 1.00 0.00 H new ATOM 159 N TRP A 35 -5.319 -7.032 6.728 1.00 0.00 N ATOM 160 CA TRP A 35 -4.448 -7.496 5.651 1.00 0.00 C ATOM 161 C TRP A 35 -3.117 -7.998 6.204 1.00 0.00 C ATOM 162 O TRP A 35 -2.644 -7.523 7.237 1.00 0.00 O ATOM 163 CB TRP A 35 -4.205 -6.374 4.635 1.00 0.00 C ATOM 164 CG TRP A 35 -5.223 -6.322 3.532 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.369 -7.062 3.428 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.184 -5.482 2.371 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.038 -6.735 2.275 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.334 -5.767 1.609 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.289 -4.515 1.902 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.609 -5.122 0.407 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.564 -3.876 0.708 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.717 -4.180 -0.027 1.00 0.00 C ATOM 0 H TRP A 35 -5.542 -6.037 6.693 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.947 -8.325 5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.201 -5.418 5.158 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.215 -6.502 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.699 -7.796 4.148 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.918 -7.147 1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.399 -4.272 2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.496 -5.357 -0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.878 -3.130 0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.906 -3.660 -0.955 1.00 0.00 H new ATOM 183 N SER A 36 -2.520 -8.963 5.509 1.00 0.00 N ATOM 184 CA SER A 36 -1.245 -9.535 5.929 1.00 0.00 C ATOM 185 C SER A 36 -0.091 -8.946 5.124 1.00 0.00 C ATOM 186 O SER A 36 -0.304 -8.159 4.203 1.00 0.00 O ATOM 187 CB SER A 36 -1.271 -11.057 5.767 1.00 0.00 C ATOM 188 OG SER A 36 -0.063 -11.641 6.224 1.00 0.00 O ATOM 0 H SER A 36 -2.900 -9.365 4.652 1.00 0.00 H new ATOM 0 HA SER A 36 -1.092 -9.289 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.112 -11.471 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.427 -11.311 4.719 1.00 0.00 H new ATOM 0 HG SER A 36 -0.107 -12.613 6.111 1.00 0.00 H new ATOM 194 N VAL A 37 1.131 -9.337 5.476 1.00 0.00 N ATOM 195 CA VAL A 37 2.322 -8.848 4.790 1.00 0.00 C ATOM 196 C VAL A 37 2.267 -9.151 3.294 1.00 0.00 C ATOM 197 O VAL A 37 2.672 -8.330 2.471 1.00 0.00 O ATOM 198 CB VAL A 37 3.604 -9.470 5.382 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.836 -8.972 4.645 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.711 -9.164 6.868 1.00 0.00 C ATOM 0 H VAL A 37 1.322 -9.992 6.234 1.00 0.00 H new ATOM 0 HA VAL A 37 2.347 -7.768 4.935 1.00 0.00 H new ATOM 0 HB VAL A 37 3.546 -10.551 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.728 -9.424 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.766 -9.247 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.899 -7.887 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.622 -9.611 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.742 -8.085 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.846 -9.577 7.388 1.00 0.00 H new ATOM 210 N ASP A 38 1.763 -10.331 2.950 1.00 0.00 N ATOM 211 CA ASP A 38 1.665 -10.745 1.554 1.00 0.00 C ATOM 212 C ASP A 38 0.671 -9.879 0.784 1.00 0.00 C ATOM 213 O ASP A 38 0.951 -9.443 -0.333 1.00 0.00 O ATOM 214 CB ASP A 38 1.248 -12.215 1.468 1.00 0.00 C ATOM 215 CG ASP A 38 1.142 -12.706 0.037 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.178 -13.115 -0.528 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.023 -12.684 -0.516 1.00 0.00 O ATOM 0 H ASP A 38 1.416 -11.019 3.619 1.00 0.00 H new ATOM 0 HA ASP A 38 2.648 -10.619 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.972 -12.827 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.287 -12.347 1.966 1.00 0.00 H new ATOM 222 N ASP A 39 -0.488 -9.632 1.386 1.00 0.00 N ATOM 223 CA ASP A 39 -1.525 -8.824 0.751 1.00 0.00 C ATOM 224 C ASP A 39 -1.047 -7.394 0.510 1.00 0.00 C ATOM 225 O ASP A 39 -1.256 -6.835 -0.568 1.00 0.00 O ATOM 226 CB ASP A 39 -2.788 -8.815 1.614 1.00 0.00 C ATOM 227 CG ASP A 39 -3.392 -10.196 1.768 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.927 -10.953 2.647 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.332 -10.522 1.013 1.00 0.00 O ATOM 0 H ASP A 39 -0.733 -9.980 2.313 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.752 -9.271 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.549 -8.414 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.525 -8.147 1.168 1.00 0.00 H new ATOM 234 N VAL A 40 -0.407 -6.809 1.516 1.00 0.00 N ATOM 235 CA VAL A 40 0.094 -5.442 1.417 1.00 0.00 C ATOM 236 C VAL A 40 1.158 -5.312 0.329 1.00 0.00 C ATOM 237 O VAL A 40 1.030 -4.489 -0.574 1.00 0.00 O ATOM 238 CB VAL A 40 0.684 -4.962 2.759 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.225 -3.546 2.637 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.361 -5.046 3.860 1.00 0.00 C ATOM 0 H VAL A 40 -0.222 -7.261 2.412 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.759 -4.816 1.156 1.00 0.00 H new ATOM 0 HB VAL A 40 1.514 -5.618 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.636 -3.230 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.009 -3.520 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.419 -2.872 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.072 -4.704 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.213 -4.416 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.693 -6.079 3.968 1.00 0.00 H new ATOM 250 N ILE A 41 2.202 -6.129 0.424 1.00 0.00 N ATOM 251 CA ILE A 41 3.296 -6.100 -0.545 1.00 0.00 C ATOM 252 C ILE A 41 2.800 -6.336 -1.970 1.00 0.00 C ATOM 253 O ILE A 41 3.008 -5.504 -2.852 1.00 0.00 O ATOM 254 CB ILE A 41 4.370 -7.152 -0.204 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.007 -6.838 1.150 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.432 -7.206 -1.294 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.968 -7.904 1.628 1.00 0.00 C ATOM 0 H ILE A 41 2.315 -6.822 1.164 1.00 0.00 H new ATOM 0 HA ILE A 41 3.734 -5.103 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 41 3.891 -8.130 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.536 -5.888 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.219 -6.711 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.181 -7.954 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.966 -7.472 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.910 -6.231 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.381 -7.614 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.439 -8.852 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.777 -8.015 0.906 1.00 0.00 H new ATOM 269 N THR A 42 2.156 -7.480 -2.189 1.00 0.00 N ATOM 270 CA THR A 42 1.636 -7.836 -3.509 1.00 0.00 C ATOM 271 C THR A 42 0.938 -6.654 -4.177 1.00 0.00 C ATOM 272 O THR A 42 1.217 -6.331 -5.333 1.00 0.00 O ATOM 273 CB THR A 42 0.653 -9.020 -3.426 1.00 0.00 C ATOM 274 OG1 THR A 42 1.309 -10.162 -2.859 1.00 0.00 O ATOM 275 CG2 THR A 42 0.109 -9.376 -4.802 1.00 0.00 C ATOM 0 H THR A 42 1.981 -8.179 -1.467 1.00 0.00 H new ATOM 0 HA THR A 42 2.496 -8.126 -4.112 1.00 0.00 H new ATOM 0 HB THR A 42 -0.181 -8.724 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.169 -10.172 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.582 -10.214 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.415 -8.516 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.934 -9.653 -5.459 1.00 0.00 H new ATOM 283 N TRP A 43 0.032 -6.011 -3.447 1.00 0.00 N ATOM 284 CA TRP A 43 -0.701 -4.869 -3.980 1.00 0.00 C ATOM 285 C TRP A 43 0.185 -3.625 -4.024 1.00 0.00 C ATOM 286 O TRP A 43 -0.012 -2.736 -4.851 1.00 0.00 O ATOM 287 CB TRP A 43 -1.946 -4.598 -3.132 1.00 0.00 C ATOM 288 CG TRP A 43 -2.906 -3.650 -3.781 1.00 0.00 C ATOM 289 CD1 TRP A 43 -3.881 -3.961 -4.684 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.980 -2.236 -3.580 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.556 -2.827 -5.059 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.022 -1.753 -4.394 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.266 -1.332 -2.791 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.366 -0.406 -4.440 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.609 0.006 -2.836 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.651 0.459 -3.657 1.00 0.00 C ATOM 0 H TRP A 43 -0.211 -6.260 -2.488 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.009 -5.107 -4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.455 -5.541 -2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.640 -4.192 -2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.091 -4.955 -5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.329 -2.789 -5.724 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.460 -1.672 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.169 -0.055 -5.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.065 0.714 -2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.894 1.511 -3.672 1.00 0.00 H new ATOM 307 N CYS A 44 1.164 -3.577 -3.127 1.00 0.00 N ATOM 308 CA CYS A 44 2.091 -2.451 -3.049 1.00 0.00 C ATOM 309 C CYS A 44 3.060 -2.445 -4.228 1.00 0.00 C ATOM 310 O CYS A 44 3.778 -1.471 -4.444 1.00 0.00 O ATOM 311 CB CYS A 44 2.874 -2.498 -1.734 1.00 0.00 C ATOM 312 SG CYS A 44 4.115 -1.196 -1.562 1.00 0.00 S ATOM 0 H CYS A 44 1.338 -4.310 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 44 1.503 -1.534 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.172 -2.427 -0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.367 -3.467 -1.652 1.00 0.00 H new ATOM 0 HG CYS A 44 3.536 -0.091 -1.197 1.00 0.00 H new ATOM 318 N ILE A 45 3.095 -3.542 -4.975 1.00 0.00 N ATOM 319 CA ILE A 45 3.993 -3.654 -6.121 1.00 0.00 C ATOM 320 C ILE A 45 3.245 -3.542 -7.448 1.00 0.00 C ATOM 321 O ILE A 45 3.437 -2.589 -8.203 1.00 0.00 O ATOM 322 CB ILE A 45 4.751 -4.995 -6.100 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.503 -5.167 -4.779 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.714 -5.076 -7.273 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.108 -6.543 -4.600 1.00 0.00 C ATOM 0 H ILE A 45 2.515 -4.365 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 45 4.697 -2.826 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 45 4.025 -5.803 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.295 -4.421 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.819 -4.970 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.242 -6.029 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.157 -4.997 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.434 -4.260 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.625 -6.591 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.318 -7.294 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.817 -6.736 -5.405 1.00 0.00 H new ATOM 337 N SER A 46 2.397 -4.527 -7.719 1.00 0.00 N ATOM 338 CA SER A 46 1.632 -4.581 -8.964 1.00 0.00 C ATOM 339 C SER A 46 0.932 -3.262 -9.292 1.00 0.00 C ATOM 340 O SER A 46 1.304 -2.574 -10.243 1.00 0.00 O ATOM 341 CB SER A 46 0.600 -5.709 -8.894 1.00 0.00 C ATOM 342 OG SER A 46 -0.271 -5.537 -7.789 1.00 0.00 O ATOM 0 H SER A 46 2.219 -5.308 -7.087 1.00 0.00 H new ATOM 0 HA SER A 46 2.346 -4.772 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.021 -5.734 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.111 -6.669 -8.812 1.00 0.00 H new ATOM 0 HG SER A 46 0.198 -5.778 -6.963 1.00 0.00 H new ATOM 348 N THR A 47 -0.081 -2.916 -8.505 1.00 0.00 N ATOM 349 CA THR A 47 -0.858 -1.701 -8.741 1.00 0.00 C ATOM 350 C THR A 47 -0.097 -0.421 -8.408 1.00 0.00 C ATOM 351 O THR A 47 -0.623 0.675 -8.610 1.00 0.00 O ATOM 352 CB THR A 47 -2.162 -1.709 -7.924 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.861 -1.852 -6.531 1.00 0.00 O ATOM 354 CG2 THR A 47 -3.082 -2.835 -8.367 1.00 0.00 C ATOM 0 H THR A 47 -0.385 -3.459 -7.697 1.00 0.00 H new ATOM 0 HA THR A 47 -1.073 -1.704 -9.810 1.00 0.00 H new ATOM 0 HB THR A 47 -2.675 -0.762 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.683 -2.058 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.995 -2.815 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.333 -2.707 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.579 -3.792 -8.228 1.00 0.00 H new ATOM 362 N LEU A 48 1.128 -0.535 -7.906 1.00 0.00 N ATOM 363 CA LEU A 48 1.889 0.659 -7.548 1.00 0.00 C ATOM 364 C LEU A 48 2.813 1.124 -8.671 1.00 0.00 C ATOM 365 O LEU A 48 2.568 2.162 -9.286 1.00 0.00 O ATOM 366 CB LEU A 48 2.703 0.415 -6.279 1.00 0.00 C ATOM 367 CG LEU A 48 2.669 1.557 -5.261 1.00 0.00 C ATOM 368 CD1 LEU A 48 1.454 1.426 -4.356 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.951 1.586 -4.442 1.00 0.00 C ATOM 0 H LEU A 48 1.608 -1.420 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 48 1.162 1.452 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.336 -0.492 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.740 0.229 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 48 2.593 2.499 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.445 2.246 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.546 1.461 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.499 0.477 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.906 2.405 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.063 0.642 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.803 1.731 -5.106 1.00 0.00 H new ATOM 381 N GLU A 49 3.870 0.362 -8.945 1.00 0.00 N ATOM 382 CA GLU A 49 4.818 0.741 -9.990 1.00 0.00 C ATOM 383 C GLU A 49 5.327 -0.458 -10.788 1.00 0.00 C ATOM 384 O GLU A 49 4.813 -0.767 -11.863 1.00 0.00 O ATOM 385 CB GLU A 49 6.004 1.494 -9.383 1.00 0.00 C ATOM 386 CG GLU A 49 5.666 2.902 -8.917 1.00 0.00 C ATOM 387 CD GLU A 49 5.285 3.822 -10.061 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.193 4.258 -10.799 1.00 0.00 O ATOM 389 OE2 GLU A 49 4.080 4.108 -10.217 1.00 0.00 O ATOM 0 H GLU A 49 4.090 -0.511 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 49 4.279 1.389 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.389 0.924 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.804 1.548 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.843 2.856 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.523 3.321 -8.389 1.00 0.00 H new ATOM 396 N VAL A 50 6.343 -1.128 -10.248 1.00 0.00 N ATOM 397 CA VAL A 50 6.960 -2.269 -10.918 1.00 0.00 C ATOM 398 C VAL A 50 6.287 -3.590 -10.562 1.00 0.00 C ATOM 399 O VAL A 50 5.240 -3.619 -9.916 1.00 0.00 O ATOM 400 CB VAL A 50 8.458 -2.366 -10.568 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.192 -1.112 -11.013 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.642 -2.597 -9.075 1.00 0.00 C ATOM 0 H VAL A 50 6.757 -0.899 -9.345 1.00 0.00 H new ATOM 0 HA VAL A 50 6.835 -2.097 -11.987 1.00 0.00 H new ATOM 0 HB VAL A 50 8.883 -3.217 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.248 -1.199 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.088 -0.993 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.767 -0.244 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.705 -2.663 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.202 -1.767 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.150 -3.526 -8.787 1.00 0.00 H new ATOM 412 N GLU A 51 6.908 -4.684 -11.001 1.00 0.00 N ATOM 413 CA GLU A 51 6.401 -6.027 -10.743 1.00 0.00 C ATOM 414 C GLU A 51 7.159 -6.668 -9.586 1.00 0.00 C ATOM 415 O GLU A 51 8.003 -6.027 -8.959 1.00 0.00 O ATOM 416 CB GLU A 51 6.548 -6.891 -11.993 1.00 0.00 C ATOM 417 CG GLU A 51 7.977 -6.972 -12.503 1.00 0.00 C ATOM 418 CD GLU A 51 8.166 -8.055 -13.548 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.938 -7.773 -14.743 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.542 -9.184 -13.171 1.00 0.00 O ATOM 0 H GLU A 51 7.772 -4.663 -11.543 1.00 0.00 H new ATOM 0 HA GLU A 51 5.346 -5.953 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.190 -7.897 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.911 -6.489 -12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.262 -6.009 -12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.647 -7.161 -11.665 1.00 0.00 H new ATOM 427 N GLU A 52 6.865 -7.936 -9.309 1.00 0.00 N ATOM 428 CA GLU A 52 7.530 -8.642 -8.221 1.00 0.00 C ATOM 429 C GLU A 52 8.929 -9.086 -8.639 1.00 0.00 C ATOM 430 O GLU A 52 9.168 -10.263 -8.911 1.00 0.00 O ATOM 431 CB GLU A 52 6.703 -9.856 -7.786 1.00 0.00 C ATOM 432 CG GLU A 52 5.325 -9.501 -7.245 1.00 0.00 C ATOM 433 CD GLU A 52 4.393 -8.961 -8.313 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.804 -9.775 -9.054 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.253 -7.723 -8.408 1.00 0.00 O ATOM 0 H GLU A 52 6.177 -8.490 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 52 7.621 -7.957 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.587 -10.528 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.253 -10.403 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.878 -10.387 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.431 -8.759 -6.453 1.00 0.00 H new ATOM 442 N THR A 53 9.845 -8.126 -8.697 1.00 0.00 N ATOM 443 CA THR A 53 11.229 -8.396 -9.067 1.00 0.00 C ATOM 444 C THR A 53 12.181 -7.539 -8.243 1.00 0.00 C ATOM 445 O THR A 53 13.258 -7.984 -7.844 1.00 0.00 O ATOM 446 CB THR A 53 11.476 -8.136 -10.559 1.00 0.00 C ATOM 447 OG1 THR A 53 12.850 -8.382 -10.883 1.00 0.00 O ATOM 448 CG2 THR A 53 11.112 -6.713 -10.898 1.00 0.00 C ATOM 0 H THR A 53 9.651 -7.146 -8.491 1.00 0.00 H new ATOM 0 HA THR A 53 11.417 -9.450 -8.863 1.00 0.00 H new ATOM 0 HB THR A 53 10.852 -8.812 -11.144 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.996 -8.215 -11.837 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.290 -6.535 -11.959 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.059 -6.543 -10.673 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.724 -6.031 -10.308 1.00 0.00 H new ATOM 456 N ASP A 54 11.764 -6.302 -7.995 1.00 0.00 N ATOM 457 CA ASP A 54 12.553 -5.352 -7.224 1.00 0.00 C ATOM 458 C ASP A 54 12.593 -5.752 -5.744 1.00 0.00 C ATOM 459 O ASP A 54 11.616 -6.284 -5.218 1.00 0.00 O ATOM 460 CB ASP A 54 11.956 -3.951 -7.386 1.00 0.00 C ATOM 461 CG ASP A 54 12.699 -2.897 -6.590 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.722 -2.386 -7.092 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.258 -2.582 -5.465 1.00 0.00 O ATOM 0 H ASP A 54 10.872 -5.932 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 54 13.577 -5.354 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.967 -3.677 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.912 -3.968 -7.072 1.00 0.00 H new ATOM 468 N PRO A 55 13.728 -5.508 -5.055 1.00 0.00 N ATOM 469 CA PRO A 55 13.890 -5.852 -3.632 1.00 0.00 C ATOM 470 C PRO A 55 12.861 -5.182 -2.719 1.00 0.00 C ATOM 471 O PRO A 55 12.884 -5.381 -1.505 1.00 0.00 O ATOM 472 CB PRO A 55 15.298 -5.348 -3.295 1.00 0.00 C ATOM 473 CG PRO A 55 16.002 -5.273 -4.604 1.00 0.00 C ATOM 474 CD PRO A 55 14.952 -4.895 -5.607 1.00 0.00 C ATOM 0 HA PRO A 55 13.745 -6.920 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.263 -4.373 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.807 -6.027 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.802 -4.533 -4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.460 -6.229 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.854 -3.813 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.184 -5.281 -6.599 1.00 0.00 H new ATOM 482 N LEU A 56 11.968 -4.383 -3.299 1.00 0.00 N ATOM 483 CA LEU A 56 10.940 -3.695 -2.521 1.00 0.00 C ATOM 484 C LEU A 56 10.143 -4.680 -1.668 1.00 0.00 C ATOM 485 O LEU A 56 9.679 -4.337 -0.580 1.00 0.00 O ATOM 486 CB LEU A 56 10.001 -2.920 -3.453 1.00 0.00 C ATOM 487 CG LEU A 56 8.792 -2.270 -2.773 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.454 -0.946 -3.437 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.591 -3.198 -2.821 1.00 0.00 C ATOM 0 H LEU A 56 11.935 -4.196 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 56 11.436 -2.992 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.576 -2.142 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.641 -3.599 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 56 9.048 -2.083 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.593 -0.499 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.307 -0.272 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.219 -1.115 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.742 -2.720 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.339 -3.413 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.829 -4.128 -2.305 1.00 0.00 H new ATOM 501 N CYS A 57 9.988 -5.901 -2.167 1.00 0.00 N ATOM 502 CA CYS A 57 9.247 -6.935 -1.451 1.00 0.00 C ATOM 503 C CYS A 57 9.996 -7.375 -0.197 1.00 0.00 C ATOM 504 O CYS A 57 9.384 -7.735 0.809 1.00 0.00 O ATOM 505 CB CYS A 57 9.003 -8.140 -2.360 1.00 0.00 C ATOM 506 SG CYS A 57 8.181 -9.527 -1.542 1.00 0.00 S ATOM 0 H CYS A 57 10.366 -6.200 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 57 8.288 -6.514 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.399 -7.824 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.959 -8.481 -2.758 1.00 0.00 H new ATOM 0 HG CYS A 57 8.291 -9.398 -0.253 1.00 0.00 H new ATOM 512 N GLN A 58 11.323 -7.348 -0.267 1.00 0.00 N ATOM 513 CA GLN A 58 12.158 -7.745 0.860 1.00 0.00 C ATOM 514 C GLN A 58 12.134 -6.690 1.961 1.00 0.00 C ATOM 515 O GLN A 58 12.045 -7.017 3.144 1.00 0.00 O ATOM 516 CB GLN A 58 13.598 -7.976 0.399 1.00 0.00 C ATOM 517 CG GLN A 58 13.760 -9.187 -0.505 1.00 0.00 C ATOM 518 CD GLN A 58 13.393 -10.486 0.187 1.00 0.00 C ATOM 519 OE1 GLN A 58 12.931 -11.434 -0.450 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.598 -10.539 1.500 1.00 0.00 N ATOM 0 H GLN A 58 11.843 -7.055 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 58 11.755 -8.674 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.948 -7.089 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.236 -8.098 1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.135 -9.062 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.793 -9.243 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.983 -9.731 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.371 -11.388 2.018 1.00 0.00 H new ATOM 529 N ARG A 59 12.214 -5.425 1.561 1.00 0.00 N ATOM 530 CA ARG A 59 12.207 -4.322 2.514 1.00 0.00 C ATOM 531 C ARG A 59 10.926 -4.319 3.345 1.00 0.00 C ATOM 532 O ARG A 59 10.973 -4.263 4.573 1.00 0.00 O ATOM 533 CB ARG A 59 12.365 -2.986 1.785 1.00 0.00 C ATOM 534 CG ARG A 59 12.475 -1.789 2.717 1.00 0.00 C ATOM 535 CD ARG A 59 13.652 -1.921 3.672 1.00 0.00 C ATOM 536 NE ARG A 59 14.934 -1.921 2.973 1.00 0.00 N ATOM 537 CZ ARG A 59 16.099 -2.169 3.568 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.139 -2.440 4.866 1.00 0.00 N ATOM 539 NH2 ARG A 59 17.223 -2.147 2.866 1.00 0.00 N ATOM 0 H ARG A 59 12.284 -5.139 0.584 1.00 0.00 H new ATOM 0 HA ARG A 59 13.051 -4.459 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.254 -3.028 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.512 -2.841 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.586 -0.879 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.553 -1.688 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.631 -1.099 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.552 -2.844 4.243 1.00 0.00 H new ATOM 0 HE ARG A 59 14.937 -1.720 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.276 -2.459 5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.032 -2.630 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.197 -1.940 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.114 -2.337 3.324 1.00 0.00 H new ATOM 553 N LEU A 60 9.782 -4.379 2.668 1.00 0.00 N ATOM 554 CA LEU A 60 8.491 -4.388 3.350 1.00 0.00 C ATOM 555 C LEU A 60 8.350 -5.619 4.241 1.00 0.00 C ATOM 556 O LEU A 60 7.866 -5.527 5.370 1.00 0.00 O ATOM 557 CB LEU A 60 7.349 -4.346 2.333 1.00 0.00 C ATOM 558 CG LEU A 60 7.106 -2.984 1.678 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.098 -3.107 0.547 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.622 -1.976 2.712 1.00 0.00 C ATOM 0 H LEU A 60 9.723 -4.422 1.651 1.00 0.00 H new ATOM 0 HA LEU A 60 8.439 -3.500 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.555 -5.076 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.431 -4.661 2.829 1.00 0.00 H new ATOM 0 HG LEU A 60 8.049 -2.630 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.938 -2.129 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.478 -3.798 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.154 -3.483 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.454 -1.013 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.690 -2.328 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.375 -1.865 3.492 1.00 0.00 H new ATOM 572 N ARG A 61 8.773 -6.770 3.725 1.00 0.00 N ATOM 573 CA ARG A 61 8.697 -8.023 4.473 1.00 0.00 C ATOM 574 C ARG A 61 9.420 -7.906 5.811 1.00 0.00 C ATOM 575 O ARG A 61 8.953 -8.427 6.825 1.00 0.00 O ATOM 576 CB ARG A 61 9.297 -9.165 3.651 1.00 0.00 C ATOM 577 CG ARG A 61 9.261 -10.514 4.352 1.00 0.00 C ATOM 578 CD ARG A 61 9.859 -11.607 3.481 1.00 0.00 C ATOM 579 NE ARG A 61 9.880 -12.902 4.157 1.00 0.00 N ATOM 580 CZ ARG A 61 10.249 -14.035 3.567 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.618 -14.032 2.293 1.00 0.00 N ATOM 582 NH2 ARG A 61 10.250 -15.171 4.250 1.00 0.00 N ATOM 0 H ARG A 61 9.172 -6.862 2.791 1.00 0.00 H new ATOM 0 HA ARG A 61 7.647 -8.238 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.757 -9.243 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.331 -8.920 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.811 -10.453 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.231 -10.769 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.284 -11.690 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.875 -11.330 3.199 1.00 0.00 H new ATOM 0 HE ARG A 61 9.596 -12.939 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.619 -13.160 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.901 -14.902 1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.967 -15.177 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.533 -16.039 3.796 1.00 0.00 H new ATOM 596 N GLU A 62 10.561 -7.223 5.808 1.00 0.00 N ATOM 597 CA GLU A 62 11.342 -7.038 7.026 1.00 0.00 C ATOM 598 C GLU A 62 10.530 -6.281 8.070 1.00 0.00 C ATOM 599 O GLU A 62 10.266 -6.796 9.158 1.00 0.00 O ATOM 600 CB GLU A 62 12.639 -6.285 6.717 1.00 0.00 C ATOM 601 CG GLU A 62 13.552 -6.124 7.921 1.00 0.00 C ATOM 602 CD GLU A 62 14.850 -5.420 7.576 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.885 -4.174 7.641 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.832 -6.116 7.241 1.00 0.00 O ATOM 0 H GLU A 62 10.964 -6.789 4.977 1.00 0.00 H new ATOM 0 HA GLU A 62 11.594 -8.020 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.178 -6.814 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.392 -5.299 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.031 -5.560 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.775 -7.106 8.338 1.00 0.00 H new ATOM 611 N ASN A 63 10.138 -5.058 7.734 1.00 0.00 N ATOM 612 CA ASN A 63 9.341 -4.241 8.639 1.00 0.00 C ATOM 613 C ASN A 63 7.858 -4.514 8.426 1.00 0.00 C ATOM 614 O ASN A 63 7.218 -3.886 7.587 1.00 0.00 O ATOM 615 CB ASN A 63 9.635 -2.754 8.425 1.00 0.00 C ATOM 616 CG ASN A 63 11.072 -2.395 8.750 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.705 -3.021 9.600 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.595 -1.380 8.073 1.00 0.00 N ATOM 0 H ASN A 63 10.359 -4.612 6.844 1.00 0.00 H new ATOM 0 HA ASN A 63 9.608 -4.504 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.423 -2.490 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.966 -2.161 9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.557 -1.092 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.034 -0.889 7.377 1.00 0.00 H new ATOM 625 N ASP A 64 7.329 -5.475 9.176 1.00 0.00 N ATOM 626 CA ASP A 64 5.918 -5.844 9.082 1.00 0.00 C ATOM 627 C ASP A 64 5.014 -4.613 9.089 1.00 0.00 C ATOM 628 O ASP A 64 4.802 -3.993 10.131 1.00 0.00 O ATOM 629 CB ASP A 64 5.541 -6.771 10.239 1.00 0.00 C ATOM 630 CG ASP A 64 4.065 -7.121 10.247 1.00 0.00 C ATOM 631 OD1 ASP A 64 3.268 -6.318 10.778 1.00 0.00 O ATOM 632 OD2 ASP A 64 3.707 -8.196 9.725 1.00 0.00 O ATOM 0 H ASP A 64 7.858 -6.016 9.860 1.00 0.00 H new ATOM 0 HA ASP A 64 5.772 -6.363 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.128 -7.687 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.803 -6.293 11.183 1.00 0.00 H new ATOM 637 N ILE A 65 4.484 -4.264 7.918 1.00 0.00 N ATOM 638 CA ILE A 65 3.595 -3.114 7.790 1.00 0.00 C ATOM 639 C ILE A 65 2.141 -3.562 7.692 1.00 0.00 C ATOM 640 O ILE A 65 1.766 -4.289 6.771 1.00 0.00 O ATOM 641 CB ILE A 65 3.935 -2.256 6.551 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.339 -1.653 6.670 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.900 -1.155 6.362 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.525 -0.759 7.880 1.00 0.00 C ATOM 0 H ILE A 65 4.656 -4.762 7.045 1.00 0.00 H new ATOM 0 HA ILE A 65 3.738 -2.509 8.685 1.00 0.00 H new ATOM 0 HB ILE A 65 3.916 -2.906 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.068 -2.462 6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.554 -1.078 5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.156 -0.561 5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.915 -1.601 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.886 -0.513 7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.544 -0.372 7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.821 0.072 7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.344 -1.334 8.788 1.00 0.00 H new ATOM 656 N VAL A 66 1.326 -3.123 8.644 1.00 0.00 N ATOM 657 CA VAL A 66 -0.088 -3.473 8.659 1.00 0.00 C ATOM 658 C VAL A 66 -0.913 -2.389 7.970 1.00 0.00 C ATOM 659 O VAL A 66 -0.427 -1.281 7.742 1.00 0.00 O ATOM 660 CB VAL A 66 -0.600 -3.673 10.102 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.585 -2.358 10.864 1.00 0.00 C ATOM 662 CG2 VAL A 66 -1.994 -4.286 10.107 1.00 0.00 C ATOM 0 H VAL A 66 1.621 -2.524 9.415 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.201 -4.412 8.118 1.00 0.00 H new ATOM 0 HB VAL A 66 0.073 -4.367 10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.949 -2.521 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.433 -1.971 10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.228 -1.637 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.331 -4.416 11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.683 -3.626 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.967 -5.255 9.609 1.00 0.00 H new ATOM 672 N GLY A 67 -2.156 -2.714 7.633 1.00 0.00 N ATOM 673 CA GLY A 67 -3.023 -1.753 6.974 1.00 0.00 C ATOM 674 C GLY A 67 -3.239 -0.503 7.807 1.00 0.00 C ATOM 675 O GLY A 67 -3.323 0.601 7.269 1.00 0.00 O ATOM 0 H GLY A 67 -2.580 -3.626 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.589 -1.476 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.986 -2.219 6.767 1.00 0.00 H new ATOM 679 N ASP A 68 -3.328 -0.680 9.122 1.00 0.00 N ATOM 680 CA ASP A 68 -3.536 0.441 10.034 1.00 0.00 C ATOM 681 C ASP A 68 -2.244 1.229 10.234 1.00 0.00 C ATOM 682 O ASP A 68 -2.221 2.234 10.941 1.00 0.00 O ATOM 683 CB ASP A 68 -4.051 -0.066 11.383 1.00 0.00 C ATOM 684 CG ASP A 68 -4.445 1.062 12.316 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.588 1.552 12.206 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.610 1.455 13.159 1.00 0.00 O ATOM 0 H ASP A 68 -3.259 -1.589 9.580 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.279 1.105 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.911 -0.715 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.280 -0.673 11.858 1.00 0.00 H new ATOM 691 N LEU A 69 -1.172 0.762 9.602 1.00 0.00 N ATOM 692 CA LEU A 69 0.127 1.417 9.710 1.00 0.00 C ATOM 693 C LEU A 69 0.494 2.112 8.401 1.00 0.00 C ATOM 694 O LEU A 69 1.542 2.751 8.296 1.00 0.00 O ATOM 695 CB LEU A 69 1.201 0.389 10.087 1.00 0.00 C ATOM 696 CG LEU A 69 2.593 0.958 10.367 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.545 1.959 11.511 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.571 -0.163 10.682 1.00 0.00 C ATOM 0 H LEU A 69 -1.177 -0.068 9.009 1.00 0.00 H new ATOM 0 HA LEU A 69 0.070 2.174 10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.865 -0.153 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.281 -0.338 9.279 1.00 0.00 H new ATOM 0 HG LEU A 69 2.937 1.478 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.545 2.351 11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.876 2.779 11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.179 1.465 12.411 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.557 0.259 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.228 -0.709 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.630 -0.843 9.832 1.00 0.00 H new ATOM 710 N LEU A 70 -0.380 1.992 7.407 1.00 0.00 N ATOM 711 CA LEU A 70 -0.146 2.604 6.104 1.00 0.00 C ATOM 712 C LEU A 70 -0.360 4.123 6.142 1.00 0.00 C ATOM 713 O LEU A 70 0.509 4.878 5.706 1.00 0.00 O ATOM 714 CB LEU A 70 -1.050 1.968 5.041 1.00 0.00 C ATOM 715 CG LEU A 70 -0.817 0.476 4.794 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.868 -0.076 3.843 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.579 0.240 4.237 1.00 0.00 C ATOM 0 H LEU A 70 -1.257 1.476 7.479 1.00 0.00 H new ATOM 0 HA LEU A 70 0.896 2.422 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.089 2.113 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.909 2.502 4.101 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.902 -0.048 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.688 -1.138 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.859 0.061 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.812 0.453 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.728 -0.826 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.690 0.776 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.321 0.601 4.949 1.00 0.00 H new ATOM 729 N PRO A 71 -1.514 4.602 6.661 1.00 0.00 N ATOM 730 CA PRO A 71 -1.804 6.035 6.729 1.00 0.00 C ATOM 731 C PRO A 71 -1.160 6.716 7.933 1.00 0.00 C ATOM 732 O PRO A 71 -1.247 7.935 8.086 1.00 0.00 O ATOM 733 CB PRO A 71 -3.324 6.067 6.853 1.00 0.00 C ATOM 734 CG PRO A 71 -3.661 4.824 7.603 1.00 0.00 C ATOM 735 CD PRO A 71 -2.625 3.797 7.217 1.00 0.00 C ATOM 0 HA PRO A 71 -1.410 6.571 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.661 6.956 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.802 6.082 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.647 5.004 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.663 4.478 7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.302 3.212 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.015 3.093 6.482 1.00 0.00 H new ATOM 743 N GLU A 72 -0.514 5.926 8.785 1.00 0.00 N ATOM 744 CA GLU A 72 0.140 6.461 9.976 1.00 0.00 C ATOM 745 C GLU A 72 1.585 6.849 9.687 1.00 0.00 C ATOM 746 O GLU A 72 2.151 7.715 10.355 1.00 0.00 O ATOM 747 CB GLU A 72 0.093 5.440 11.113 1.00 0.00 C ATOM 748 CG GLU A 72 -1.317 5.075 11.545 1.00 0.00 C ATOM 749 CD GLU A 72 -2.113 6.278 12.012 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.950 6.679 13.183 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.899 6.819 11.205 1.00 0.00 O ATOM 0 H GLU A 72 -0.429 4.916 8.674 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.401 7.358 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.614 4.535 10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.635 5.839 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.837 4.601 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.268 4.341 12.350 1.00 0.00 H new ATOM 758 N LEU A 73 2.182 6.204 8.689 1.00 0.00 N ATOM 759 CA LEU A 73 3.562 6.487 8.317 1.00 0.00 C ATOM 760 C LEU A 73 3.642 7.692 7.387 1.00 0.00 C ATOM 761 O LEU A 73 2.701 7.981 6.647 1.00 0.00 O ATOM 762 CB LEU A 73 4.195 5.266 7.646 1.00 0.00 C ATOM 763 CG LEU A 73 4.404 4.056 8.561 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.886 2.860 7.755 1.00 0.00 C ATOM 765 CD2 LEU A 73 5.395 4.388 9.668 1.00 0.00 C ATOM 0 H LEU A 73 1.732 5.483 8.125 1.00 0.00 H new ATOM 0 HA LEU A 73 4.114 6.718 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.566 4.964 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.159 5.558 7.231 1.00 0.00 H new ATOM 0 HG LEU A 73 3.449 3.801 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.030 2.008 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.143 2.608 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.831 3.105 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.531 3.516 10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.352 4.668 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.012 5.218 10.262 1.00 0.00 H new ATOM 777 N CYS A 74 4.771 8.391 7.431 1.00 0.00 N ATOM 778 CA CYS A 74 4.977 9.564 6.592 1.00 0.00 C ATOM 779 C CYS A 74 5.809 9.212 5.363 1.00 0.00 C ATOM 780 O CYS A 74 6.213 8.063 5.184 1.00 0.00 O ATOM 781 CB CYS A 74 5.665 10.674 7.389 1.00 0.00 C ATOM 782 SG CYS A 74 4.736 11.224 8.839 1.00 0.00 S ATOM 0 H CYS A 74 5.558 8.165 8.040 1.00 0.00 H new ATOM 0 HA CYS A 74 4.001 9.919 6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.645 10.322 7.711 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.833 11.528 6.733 1.00 0.00 H new ATOM 0 HG CYS A 74 5.399 12.162 9.449 1.00 0.00 H new ATOM 788 N LEU A 75 6.062 10.207 4.519 1.00 0.00 N ATOM 789 CA LEU A 75 6.844 10.005 3.305 1.00 0.00 C ATOM 790 C LEU A 75 8.265 9.556 3.635 1.00 0.00 C ATOM 791 O LEU A 75 8.946 8.961 2.800 1.00 0.00 O ATOM 792 CB LEU A 75 6.883 11.291 2.471 1.00 0.00 C ATOM 793 CG LEU A 75 5.604 11.619 1.691 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.259 10.498 0.722 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.444 11.881 2.642 1.00 0.00 C ATOM 0 H LEU A 75 5.736 11.164 4.654 1.00 0.00 H new ATOM 0 HA LEU A 75 6.361 9.219 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.105 12.126 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.709 11.218 1.764 1.00 0.00 H new ATOM 0 HG LEU A 75 5.784 12.526 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.348 10.753 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.077 10.364 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.104 9.572 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.547 12.112 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.266 10.995 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.687 12.724 3.289 1.00 0.00 H new ATOM 807 N GLN A 76 8.708 9.844 4.855 1.00 0.00 N ATOM 808 CA GLN A 76 10.050 9.469 5.290 1.00 0.00 C ATOM 809 C GLN A 76 10.205 7.952 5.338 1.00 0.00 C ATOM 810 O GLN A 76 11.090 7.390 4.695 1.00 0.00 O ATOM 811 CB GLN A 76 10.355 10.072 6.663 1.00 0.00 C ATOM 812 CG GLN A 76 11.712 9.670 7.220 1.00 0.00 C ATOM 813 CD GLN A 76 12.859 10.069 6.312 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.778 11.059 5.586 1.00 0.00 O ATOM 815 NE2 GLN A 76 13.938 9.296 6.350 1.00 0.00 N ATOM 0 H GLN A 76 8.158 10.335 5.560 1.00 0.00 H new ATOM 0 HA GLN A 76 10.761 9.864 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.309 11.159 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.579 9.766 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.850 10.132 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.733 8.591 7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.962 8.484 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.742 9.514 5.762 1.00 0.00 H new ATOM 824 N ASP A 77 9.340 7.297 6.107 1.00 0.00 N ATOM 825 CA ASP A 77 9.385 5.845 6.237 1.00 0.00 C ATOM 826 C ASP A 77 9.132 5.172 4.892 1.00 0.00 C ATOM 827 O ASP A 77 9.835 4.235 4.515 1.00 0.00 O ATOM 828 CB ASP A 77 8.355 5.369 7.264 1.00 0.00 C ATOM 829 CG ASP A 77 8.590 5.965 8.638 1.00 0.00 C ATOM 830 OD1 ASP A 77 9.364 5.372 9.417 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.999 7.025 8.934 1.00 0.00 O ATOM 0 H ASP A 77 8.602 7.747 6.648 1.00 0.00 H new ATOM 0 HA ASP A 77 10.381 5.566 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.355 5.635 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.390 4.282 7.332 1.00 0.00 H new ATOM 836 N CYS A 78 8.127 5.659 4.172 1.00 0.00 N ATOM 837 CA CYS A 78 7.782 5.108 2.866 1.00 0.00 C ATOM 838 C CYS A 78 8.971 5.186 1.916 1.00 0.00 C ATOM 839 O CYS A 78 9.173 4.298 1.088 1.00 0.00 O ATOM 840 CB CYS A 78 6.589 5.857 2.272 1.00 0.00 C ATOM 841 SG CYS A 78 5.111 5.828 3.313 1.00 0.00 S ATOM 0 H CYS A 78 7.536 6.435 4.471 1.00 0.00 H new ATOM 0 HA CYS A 78 7.512 4.060 2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.876 6.894 2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.347 5.423 1.302 1.00 0.00 H new ATOM 0 HG CYS A 78 5.245 6.685 4.281 1.00 0.00 H new ATOM 847 N GLN A 79 9.752 6.254 2.040 1.00 0.00 N ATOM 848 CA GLN A 79 10.924 6.438 1.193 1.00 0.00 C ATOM 849 C GLN A 79 11.961 5.361 1.489 1.00 0.00 C ATOM 850 O GLN A 79 12.582 4.812 0.577 1.00 0.00 O ATOM 851 CB GLN A 79 11.532 7.824 1.410 1.00 0.00 C ATOM 852 CG GLN A 79 12.548 8.208 0.347 1.00 0.00 C ATOM 853 CD GLN A 79 13.146 9.582 0.579 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.159 9.724 1.266 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.522 10.603 0.004 1.00 0.00 N ATOM 0 H GLN A 79 9.595 7.002 2.716 1.00 0.00 H new ATOM 0 HA GLN A 79 10.613 6.354 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.733 8.565 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 79 12.011 7.854 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.347 7.467 0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.070 8.185 -0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.686 10.439 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.879 11.551 0.123 1.00 0.00 H new ATOM 864 N ASP A 80 12.140 5.063 2.774 1.00 0.00 N ATOM 865 CA ASP A 80 13.088 4.041 3.198 1.00 0.00 C ATOM 866 C ASP A 80 12.662 2.680 2.666 1.00 0.00 C ATOM 867 O ASP A 80 13.493 1.813 2.395 1.00 0.00 O ATOM 868 CB ASP A 80 13.173 4.000 4.725 1.00 0.00 C ATOM 869 CG ASP A 80 14.208 3.008 5.219 1.00 0.00 C ATOM 870 OD1 ASP A 80 13.872 1.811 5.345 1.00 0.00 O ATOM 871 OD2 ASP A 80 15.356 3.428 5.481 1.00 0.00 O ATOM 0 H ASP A 80 11.640 5.516 3.538 1.00 0.00 H new ATOM 0 HA ASP A 80 14.071 4.288 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.418 4.994 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.197 3.737 5.134 1.00 0.00 H new ATOM 876 N LEU A 81 11.353 2.508 2.521 1.00 0.00 N ATOM 877 CA LEU A 81 10.786 1.265 2.018 1.00 0.00 C ATOM 878 C LEU A 81 11.145 1.064 0.550 1.00 0.00 C ATOM 879 O LEU A 81 11.038 -0.041 0.017 1.00 0.00 O ATOM 880 CB LEU A 81 9.264 1.279 2.201 1.00 0.00 C ATOM 881 CG LEU A 81 8.747 0.691 3.522 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.691 1.000 4.677 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.357 1.227 3.827 1.00 0.00 C ATOM 0 H LEU A 81 10.660 3.222 2.747 1.00 0.00 H new ATOM 0 HA LEU A 81 11.205 0.433 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.916 2.309 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.812 0.726 1.377 1.00 0.00 H new ATOM 0 HG LEU A 81 8.698 -0.392 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.294 0.569 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.672 0.572 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.783 2.080 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.001 0.803 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.396 2.313 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.676 0.950 3.023 1.00 0.00 H new ATOM 895 N CYS A 82 11.574 2.144 -0.096 1.00 0.00 N ATOM 896 CA CYS A 82 11.960 2.097 -1.501 1.00 0.00 C ATOM 897 C CYS A 82 13.479 2.154 -1.640 1.00 0.00 C ATOM 898 O CYS A 82 14.182 2.530 -0.701 1.00 0.00 O ATOM 899 CB CYS A 82 11.318 3.256 -2.267 1.00 0.00 C ATOM 900 SG CYS A 82 11.707 3.285 -4.033 1.00 0.00 S ATOM 0 H CYS A 82 11.663 3.065 0.333 1.00 0.00 H new ATOM 0 HA CYS A 82 11.607 1.157 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.236 3.202 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.642 4.196 -1.820 1.00 0.00 H new ATOM 0 HG CYS A 82 11.292 2.184 -4.587 1.00 0.00 H new ATOM 906 N ASP A 83 13.980 1.778 -2.813 1.00 0.00 N ATOM 907 CA ASP A 83 15.416 1.786 -3.072 1.00 0.00 C ATOM 908 C ASP A 83 16.000 3.181 -2.868 1.00 0.00 C ATOM 909 O ASP A 83 17.172 3.329 -2.521 1.00 0.00 O ATOM 910 CB ASP A 83 15.700 1.307 -4.496 1.00 0.00 C ATOM 911 CG ASP A 83 15.143 -0.078 -4.761 1.00 0.00 C ATOM 912 OD1 ASP A 83 15.862 -1.066 -4.502 1.00 0.00 O ATOM 913 OD2 ASP A 83 13.988 -0.174 -5.226 1.00 0.00 O ATOM 0 H ASP A 83 13.412 1.464 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 83 15.890 1.106 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.268 2.012 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.777 1.302 -4.667 1.00 0.00 H new ATOM 918 N GLY A 84 15.174 4.200 -3.086 1.00 0.00 N ATOM 919 CA GLY A 84 15.625 5.571 -2.921 1.00 0.00 C ATOM 920 C GLY A 84 14.964 6.520 -3.901 1.00 0.00 C ATOM 921 O GLY A 84 15.591 7.468 -4.377 1.00 0.00 O ATOM 0 H GLY A 84 14.200 4.101 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.414 5.900 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.706 5.613 -3.052 1.00 0.00 H new ATOM 925 N ASP A 85 13.693 6.267 -4.203 1.00 0.00 N ATOM 926 CA ASP A 85 12.946 7.105 -5.134 1.00 0.00 C ATOM 927 C ASP A 85 11.783 7.797 -4.430 1.00 0.00 C ATOM 928 O ASP A 85 10.907 7.140 -3.866 1.00 0.00 O ATOM 929 CB ASP A 85 12.427 6.265 -6.303 1.00 0.00 C ATOM 930 CG ASP A 85 11.744 7.106 -7.362 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.456 7.707 -8.193 1.00 0.00 O ATOM 932 OD2 ASP A 85 10.496 7.163 -7.363 1.00 0.00 O ATOM 0 H ASP A 85 13.160 5.488 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 85 13.620 7.871 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.258 5.723 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.726 5.519 -5.928 1.00 0.00 H new ATOM 937 N LEU A 86 11.782 9.126 -4.468 1.00 0.00 N ATOM 938 CA LEU A 86 10.728 9.911 -3.833 1.00 0.00 C ATOM 939 C LEU A 86 9.385 9.681 -4.517 1.00 0.00 C ATOM 940 O LEU A 86 8.375 9.449 -3.852 1.00 0.00 O ATOM 941 CB LEU A 86 11.084 11.400 -3.866 1.00 0.00 C ATOM 942 CG LEU A 86 10.051 12.332 -3.227 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.957 12.082 -1.729 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.403 13.787 -3.504 1.00 0.00 C ATOM 0 H LEU A 86 12.500 9.683 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 86 10.644 9.586 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.039 11.540 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.227 11.700 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 86 9.078 12.121 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.218 12.754 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.658 11.049 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.928 12.263 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.658 14.436 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.386 14.009 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.417 13.959 -4.580 1.00 0.00 H new ATOM 956 N ASN A 87 9.379 9.745 -5.848 1.00 0.00 N ATOM 957 CA ASN A 87 8.155 9.547 -6.619 1.00 0.00 C ATOM 958 C ASN A 87 7.482 8.230 -6.249 1.00 0.00 C ATOM 959 O ASN A 87 6.267 8.083 -6.382 1.00 0.00 O ATOM 960 CB ASN A 87 8.461 9.574 -8.118 1.00 0.00 C ATOM 961 CG ASN A 87 7.212 9.426 -8.963 1.00 0.00 C ATOM 962 OD1 ASN A 87 6.814 8.315 -9.317 1.00 0.00 O ATOM 963 ND2 ASN A 87 6.585 10.549 -9.292 1.00 0.00 N ATOM 0 H ASN A 87 10.207 9.932 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 87 7.471 10.361 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.957 10.512 -8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.157 8.771 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.738 10.513 -9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.950 11.448 -8.977 1.00 0.00 H new ATOM 970 N LYS A 88 8.280 7.276 -5.782 1.00 0.00 N ATOM 971 CA LYS A 88 7.769 5.975 -5.385 1.00 0.00 C ATOM 972 C LYS A 88 6.923 6.097 -4.125 1.00 0.00 C ATOM 973 O LYS A 88 5.767 5.675 -4.093 1.00 0.00 O ATOM 974 CB LYS A 88 8.930 5.019 -5.137 1.00 0.00 C ATOM 975 CG LYS A 88 8.896 3.768 -6.000 1.00 0.00 C ATOM 976 CD LYS A 88 7.693 2.895 -5.676 1.00 0.00 C ATOM 977 CE LYS A 88 7.783 1.546 -6.371 1.00 0.00 C ATOM 978 NZ LYS A 88 6.580 0.707 -6.116 1.00 0.00 N ATOM 0 H LYS A 88 9.288 7.383 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 88 7.144 5.585 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.867 5.547 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.927 4.724 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.867 4.052 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.812 3.197 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.629 2.747 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.779 3.404 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.898 1.698 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.673 1.019 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.704 -0.223 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.454 0.582 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.740 1.174 -6.513 1.00 0.00 H new ATOM 992 N ALA A 89 7.517 6.677 -3.089 1.00 0.00 N ATOM 993 CA ALA A 89 6.833 6.867 -1.816 1.00 0.00 C ATOM 994 C ALA A 89 5.554 7.680 -1.991 1.00 0.00 C ATOM 995 O ALA A 89 4.613 7.550 -1.208 1.00 0.00 O ATOM 996 CB ALA A 89 7.758 7.547 -0.817 1.00 0.00 C ATOM 0 H ALA A 89 8.476 7.025 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 89 6.557 5.885 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.235 7.683 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.640 6.927 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.062 8.519 -1.206 1.00 0.00 H new ATOM 1002 N ILE A 90 5.525 8.522 -3.021 1.00 0.00 N ATOM 1003 CA ILE A 90 4.357 9.350 -3.298 1.00 0.00 C ATOM 1004 C ILE A 90 3.209 8.504 -3.838 1.00 0.00 C ATOM 1005 O ILE A 90 2.105 8.522 -3.294 1.00 0.00 O ATOM 1006 CB ILE A 90 4.685 10.471 -4.305 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.817 11.350 -3.766 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.447 11.307 -4.593 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.313 12.380 -4.759 1.00 0.00 C ATOM 0 H ILE A 90 6.297 8.648 -3.676 1.00 0.00 H new ATOM 0 HA ILE A 90 4.056 9.807 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 90 5.014 10.017 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.472 11.861 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.650 10.713 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.697 12.093 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.668 10.671 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.088 11.757 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.114 12.965 -4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.690 11.876 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.493 13.042 -5.037 1.00 0.00 H new ATOM 1021 N LYS A 91 3.475 7.765 -4.913 1.00 0.00 N ATOM 1022 CA LYS A 91 2.463 6.901 -5.515 1.00 0.00 C ATOM 1023 C LYS A 91 1.980 5.871 -4.501 1.00 0.00 C ATOM 1024 O LYS A 91 0.910 5.284 -4.652 1.00 0.00 O ATOM 1025 CB LYS A 91 3.032 6.194 -6.748 1.00 0.00 C ATOM 1026 CG LYS A 91 3.323 7.131 -7.910 1.00 0.00 C ATOM 1027 CD LYS A 91 2.043 7.618 -8.573 1.00 0.00 C ATOM 1028 CE LYS A 91 1.309 6.484 -9.275 1.00 0.00 C ATOM 1029 NZ LYS A 91 0.087 6.965 -9.976 1.00 0.00 N ATOM 0 H LYS A 91 4.380 7.747 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 91 1.619 7.518 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.951 5.679 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.326 5.431 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.896 7.987 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.942 6.617 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.391 8.065 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.281 8.400 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.977 6.009 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.033 5.723 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.384 6.163 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.562 7.396 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.352 7.673 -10.690 1.00 0.00 H new ATOM 1043 N PHE A 92 2.787 5.665 -3.467 1.00 0.00 N ATOM 1044 CA PHE A 92 2.465 4.716 -2.410 1.00 0.00 C ATOM 1045 C PHE A 92 1.354 5.262 -1.518 1.00 0.00 C ATOM 1046 O PHE A 92 0.245 4.727 -1.490 1.00 0.00 O ATOM 1047 CB PHE A 92 3.724 4.424 -1.586 1.00 0.00 C ATOM 1048 CG PHE A 92 3.521 3.447 -0.463 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.028 2.176 -0.708 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.841 3.799 0.838 1.00 0.00 C ATOM 1051 CE1 PHE A 92 2.855 1.274 0.326 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.669 2.903 1.876 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.176 1.639 1.620 1.00 0.00 C ATOM 0 H PHE A 92 3.676 6.147 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 92 2.109 3.789 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.497 4.038 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.098 5.361 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.776 1.886 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.230 4.785 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.470 0.286 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.920 3.191 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.041 0.937 2.429 1.00 0.00 H new ATOM 1063 N LYS A 93 1.660 6.337 -0.800 1.00 0.00 N ATOM 1064 CA LYS A 93 0.695 6.964 0.096 1.00 0.00 C ATOM 1065 C LYS A 93 -0.563 7.390 -0.659 1.00 0.00 C ATOM 1066 O LYS A 93 -1.659 7.404 -0.098 1.00 0.00 O ATOM 1067 CB LYS A 93 1.325 8.179 0.781 1.00 0.00 C ATOM 1068 CG LYS A 93 0.414 8.844 1.800 1.00 0.00 C ATOM 1069 CD LYS A 93 1.018 10.132 2.339 1.00 0.00 C ATOM 1070 CE LYS A 93 1.142 11.189 1.253 1.00 0.00 C ATOM 1071 NZ LYS A 93 -0.182 11.547 0.673 1.00 0.00 N ATOM 0 H LYS A 93 2.572 6.794 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 93 0.410 6.231 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.245 7.870 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.602 8.910 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.551 9.059 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.228 8.156 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.398 10.514 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.002 9.925 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.610 12.082 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.797 10.823 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.093 12.422 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.510 10.777 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.869 11.693 1.440 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.399 7.733 -1.934 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.522 8.162 -2.761 1.00 0.00 C ATOM 1087 C ILE A 94 -2.523 7.033 -2.980 1.00 0.00 C ATOM 1088 O ILE A 94 -3.664 7.109 -2.524 1.00 0.00 O ATOM 1089 CB ILE A 94 -1.049 8.682 -4.135 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.482 10.097 -3.996 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.195 8.652 -5.139 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.074 10.661 -5.285 1.00 0.00 C ATOM 0 H ILE A 94 0.500 7.722 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.009 8.972 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.258 8.029 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.267 10.759 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.306 10.090 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.844 9.022 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.553 7.629 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.008 9.284 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.457 11.666 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.882 10.023 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.716 10.701 -6.035 1.00 0.00 H new ATOM 1104 N LEU A 95 -2.092 5.996 -3.691 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.954 4.857 -3.985 1.00 0.00 C ATOM 1106 C LEU A 95 -3.607 4.327 -2.716 1.00 0.00 C ATOM 1107 O LEU A 95 -4.688 3.738 -2.762 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.157 3.751 -4.676 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.639 4.108 -6.072 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.769 2.991 -6.620 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.799 4.391 -7.016 1.00 0.00 C ATOM 0 H LEU A 95 -1.150 5.921 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.743 5.193 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.308 3.486 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.785 2.864 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.032 5.010 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.410 3.263 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.082 2.834 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.353 2.073 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.412 4.643 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.432 3.507 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.385 5.226 -6.632 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.947 4.543 -1.584 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.476 4.096 -0.307 1.00 0.00 C ATOM 1125 C ILE A 96 -4.620 4.995 0.149 1.00 0.00 C ATOM 1126 O ILE A 96 -5.612 4.523 0.703 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.379 4.059 0.777 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.336 2.996 0.430 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.981 3.787 2.150 1.00 0.00 C ATOM 1130 CD1 ILE A 96 -0.083 3.078 1.272 1.00 0.00 C ATOM 0 H ILE A 96 -2.049 5.023 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.853 3.083 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.892 5.034 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.781 2.009 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.064 3.095 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.188 3.766 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.692 4.575 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.494 2.826 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.611 2.294 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.387 4.052 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.342 2.948 2.323 1.00 0.00 H new ATOM 1142 N ASN A 97 -4.474 6.293 -0.092 1.00 0.00 N ATOM 1143 CA ASN A 97 -5.498 7.260 0.284 1.00 0.00 C ATOM 1144 C ASN A 97 -6.775 7.025 -0.515 1.00 0.00 C ATOM 1145 O ASN A 97 -7.875 7.036 0.038 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.992 8.686 0.055 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.994 9.731 0.507 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.980 10.163 1.660 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -6.870 10.144 -0.402 1.00 0.00 N ATOM 0 H ASN A 97 -3.656 6.700 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.720 7.130 1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.055 8.828 0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.776 8.827 -1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.567 10.846 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.845 9.759 -1.346 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.622 6.814 -1.820 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.763 6.570 -2.695 1.00 0.00 C ATOM 1158 C LYS A 98 -8.540 5.341 -2.232 1.00 0.00 C ATOM 1159 O LYS A 98 -9.764 5.381 -2.099 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.296 6.374 -4.140 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.520 7.555 -4.700 1.00 0.00 C ATOM 1162 CD LYS A 98 -7.388 8.799 -4.804 1.00 0.00 C ATOM 1163 CE LYS A 98 -6.633 9.953 -5.443 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.431 10.337 -4.650 1.00 0.00 N ATOM 0 H LYS A 98 -5.719 6.807 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.419 7.439 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.671 5.483 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.166 6.190 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.662 7.762 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.130 7.300 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.278 8.575 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.728 9.091 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.329 9.674 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.296 10.813 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.589 11.265 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.261 9.626 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.603 10.389 -5.277 1.00 0.00 H new ATOM 1178 N MET A 99 -7.817 4.252 -1.987 1.00 0.00 N ATOM 1179 CA MET A 99 -8.434 3.010 -1.535 1.00 0.00 C ATOM 1180 C MET A 99 -9.031 3.183 -0.143 1.00 0.00 C ATOM 1181 O MET A 99 -9.982 2.492 0.227 1.00 0.00 O ATOM 1182 CB MET A 99 -7.400 1.881 -1.524 1.00 0.00 C ATOM 1183 CG MET A 99 -7.976 0.528 -1.134 1.00 0.00 C ATOM 1184 SD MET A 99 -9.119 -0.124 -2.368 1.00 0.00 S ATOM 1185 CE MET A 99 -8.006 -0.403 -3.744 1.00 0.00 C ATOM 0 H MET A 99 -6.804 4.205 -2.094 1.00 0.00 H new ATOM 0 HA MET A 99 -9.235 2.752 -2.227 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.950 1.803 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.600 2.139 -0.830 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.161 -0.181 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 99 -8.493 0.619 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.464 -1.099 -4.447 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.806 0.543 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.070 -0.823 -3.376 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.465 4.110 0.624 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.936 4.379 1.978 1.00 0.00 C ATOM 1197 C ARG A 100 -10.337 4.982 1.958 1.00 0.00 C ATOM 1198 O ARG A 100 -11.211 4.569 2.722 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.972 5.326 2.694 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.290 5.523 4.167 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.319 6.492 4.821 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.537 6.598 6.261 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.830 7.393 7.057 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.861 8.149 6.557 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -7.089 7.432 8.358 1.00 0.00 N ATOM 0 H ARG A 100 -7.678 4.688 0.330 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.976 3.433 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.958 4.938 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.990 6.295 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.308 5.898 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.249 4.563 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.297 6.163 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.427 7.476 4.365 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.274 6.030 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.656 8.121 5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.321 8.758 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.831 6.851 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.546 8.043 8.968 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.545 5.960 1.081 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.841 6.618 0.967 1.00 0.00 C ATOM 1221 C ASP A 101 -12.853 5.714 0.268 1.00 0.00 C ATOM 1222 O ASP A 101 -13.771 5.194 0.902 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.702 7.938 0.204 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.776 8.914 0.903 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.218 9.557 1.878 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -9.609 9.036 0.475 1.00 0.00 O ATOM 0 H ASP A 101 -9.834 6.313 0.441 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.204 6.826 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.324 7.737 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.686 8.393 0.089 1.00 0.00 H new