USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 506 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 446 CYS SG : rot -176:sc= -0.745 USER MOD Set 1.2: A 448 HIS : no HD1:sc= -0.54 K(o=-7.4,f=-4.8) USER MOD Set 1.3: A 452 HIS : no HD1:sc= -4.52! K(o=-7.4!,f=-4.4) USER MOD Set 1.4: A 478 CYS SG : rot -128:sc= -1.09 USER MOD Set 1.5: A 481 HIS : no HD1:sc= -0.493 K(o=-7.4,f=-15!) USER MOD Set 2.1: A 419 CYS SG : rot -80:sc= -1.44 USER MOD Set 2.2: A 420 CYS SG : rot 180:sc= -1.75 USER MOD Set 2.3: A 423 CYS SG : rot -140:sc= -1.56! USER MOD Set 2.4: A 455 HIS : no HD1:sc= -9.04! C(o=-16!,f=-22!) USER MOD Set 2.5: A 458 CYS SG : rot -141:sc= -1.99 USER MOD Set 2.6: A 459 MET CE :methyl -114:sc= -0.0913 (180deg=0) USER MOD Set 3.1: A 415 TYR OH : rot -41:sc= 1.7 USER MOD Set 3.2: A 440 LYS NZ :NH3+ -177:sc= 0.587 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot -34:sc= 0.938 USER MOD Single : A 434 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 439 ASN : amide:sc= -0.461 K(o=-0.46,f=0.75) USER MOD Single : A 443 MET CE :methyl -109:sc= -2.54 (180deg=-5.98!) USER MOD Single : A 445 TYR OH : rot -178:sc= 1.19 USER MOD Single : A 447 SER OG : rot -52:sc= 0.139 USER MOD Single : A 457 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.76) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 468 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-0.97) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.8) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot -3:sc= -6.35! USER MOD Single : A 477 TYR OH : rot 30:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0.0938 X(o=0.094,f=0) USER MOD Single : A 483 GLN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 415 59.816 -7.853 -4.528 1.00 0.00 N ATOM 118 CA TYR A 415 60.987 -7.315 -3.779 1.00 0.00 C ATOM 119 C TYR A 415 62.082 -6.885 -4.760 1.00 0.00 C ATOM 120 O TYR A 415 62.557 -5.768 -4.727 1.00 0.00 O ATOM 121 CB TYR A 415 61.467 -8.480 -2.908 1.00 0.00 C ATOM 122 CG TYR A 415 61.539 -8.038 -1.466 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.105 -6.800 -1.144 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.043 -8.866 -0.452 1.00 0.00 C ATOM 125 CE1 TYR A 415 62.175 -6.388 0.190 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.112 -8.454 0.883 1.00 0.00 C ATOM 127 CZ TYR A 415 61.679 -7.214 1.205 1.00 0.00 C ATOM 128 OH TYR A 415 61.747 -6.808 2.522 1.00 0.00 O ATOM 0 HA TYR A 415 60.734 -6.439 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 415 60.786 -9.325 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.447 -8.819 -3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.488 -6.162 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 415 60.607 -9.822 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 415 62.612 -5.432 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.728 -9.092 1.665 1.00 0.00 H new ATOM 0 HH TYR A 415 62.614 -6.382 2.689 1.00 0.00 H new ATOM 138 N TRP A 416 62.475 -7.768 -5.636 1.00 0.00 N ATOM 139 CA TRP A 416 63.532 -7.425 -6.634 1.00 0.00 C ATOM 140 C TRP A 416 62.910 -6.619 -7.778 1.00 0.00 C ATOM 141 O TRP A 416 62.949 -7.018 -8.925 1.00 0.00 O ATOM 142 CB TRP A 416 64.033 -8.780 -7.140 1.00 0.00 C ATOM 143 CG TRP A 416 64.624 -9.533 -5.993 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.165 -10.709 -5.506 1.00 0.00 C ATOM 145 CD2 TRP A 416 65.770 -9.172 -5.180 1.00 0.00 C ATOM 146 NE1 TRP A 416 64.962 -11.090 -4.440 1.00 0.00 N ATOM 147 CE2 TRP A 416 65.967 -10.173 -4.202 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.649 -8.080 -5.200 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.005 -10.090 -3.272 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.692 -7.992 -4.272 1.00 0.00 C ATOM 151 CH2 TRP A 416 67.873 -8.994 -3.308 1.00 0.00 C ATOM 0 H TRP A 416 62.109 -8.717 -5.705 1.00 0.00 H new ATOM 0 HA TRP A 416 64.338 -6.822 -6.215 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.212 -9.346 -7.580 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.778 -8.639 -7.923 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.317 -11.259 -5.886 1.00 0.00 H new ATOM 0 HE1 TRP A 416 64.824 -11.943 -3.897 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.520 -7.301 -5.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.136 -10.865 -2.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.363 -7.146 -4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 416 68.681 -8.920 -2.595 1.00 0.00 H new ATOM 162 N ILE A 417 62.315 -5.496 -7.469 1.00 0.00 N ATOM 163 CA ILE A 417 61.665 -4.674 -8.534 1.00 0.00 C ATOM 164 C ILE A 417 62.314 -3.292 -8.636 1.00 0.00 C ATOM 165 O ILE A 417 63.419 -3.074 -8.177 1.00 0.00 O ATOM 166 CB ILE A 417 60.203 -4.547 -8.089 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.125 -3.754 -6.777 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.617 -5.941 -7.872 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.306 -2.479 -6.995 1.00 0.00 C ATOM 0 H ILE A 417 62.251 -5.113 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 417 61.764 -5.132 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 417 59.637 -4.025 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.667 -4.364 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.128 -3.500 -6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.578 -5.854 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.667 -6.506 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.188 -6.460 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.252 -1.917 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.783 -1.867 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.299 -2.744 -7.318 1.00 0.00 H new ATOM 181 N THR A 418 61.627 -2.357 -9.238 1.00 0.00 N ATOM 182 CA THR A 418 62.184 -0.983 -9.381 1.00 0.00 C ATOM 183 C THR A 418 61.472 -0.022 -8.426 1.00 0.00 C ATOM 184 O THR A 418 60.529 0.652 -8.795 1.00 0.00 O ATOM 185 CB THR A 418 61.911 -0.594 -10.835 1.00 0.00 C ATOM 186 OG1 THR A 418 60.717 -1.222 -11.281 1.00 0.00 O ATOM 187 CG2 THR A 418 63.083 -1.037 -11.713 1.00 0.00 C ATOM 0 H THR A 418 60.698 -2.489 -9.639 1.00 0.00 H new ATOM 0 HA THR A 418 63.246 -0.941 -9.140 1.00 0.00 H new ATOM 0 HB THR A 418 61.797 0.488 -10.904 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.543 -0.970 -12.212 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.887 -0.759 -12.749 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.997 -0.550 -11.373 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.201 -2.118 -11.644 1.00 0.00 H new ATOM 195 N CYS A 419 61.920 0.050 -7.201 1.00 0.00 N ATOM 196 CA CYS A 419 61.283 0.970 -6.209 1.00 0.00 C ATOM 197 C CYS A 419 61.175 2.389 -6.788 1.00 0.00 C ATOM 198 O CYS A 419 60.317 3.164 -6.410 1.00 0.00 O ATOM 199 CB CYS A 419 62.220 0.917 -4.993 1.00 0.00 C ATOM 200 SG CYS A 419 63.522 2.172 -5.119 1.00 0.00 S ATOM 0 H CYS A 419 62.705 -0.492 -6.841 1.00 0.00 H new ATOM 0 HA CYS A 419 60.265 0.681 -5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.646 1.074 -4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.670 -0.073 -4.920 1.00 0.00 H new ATOM 0 HG CYS A 419 64.461 1.745 -5.910 1.00 0.00 H new ATOM 205 N CYS A 420 62.040 2.724 -7.708 1.00 0.00 N ATOM 206 CA CYS A 420 62.001 4.082 -8.327 1.00 0.00 C ATOM 207 C CYS A 420 61.969 3.949 -9.858 1.00 0.00 C ATOM 208 O CYS A 420 61.850 2.854 -10.373 1.00 0.00 O ATOM 209 CB CYS A 420 63.296 4.757 -7.860 1.00 0.00 C ATOM 210 SG CYS A 420 62.900 6.248 -6.913 1.00 0.00 S ATOM 0 H CYS A 420 62.776 2.112 -8.060 1.00 0.00 H new ATOM 0 HA CYS A 420 61.121 4.658 -8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.876 4.068 -7.246 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.914 5.014 -8.720 1.00 0.00 H new ATOM 0 HG CYS A 420 64.000 6.816 -6.517 1.00 0.00 H new ATOM 216 N PRO A 421 62.075 5.063 -10.545 1.00 0.00 N ATOM 217 CA PRO A 421 62.053 5.033 -12.025 1.00 0.00 C ATOM 218 C PRO A 421 63.417 4.596 -12.567 1.00 0.00 C ATOM 219 O PRO A 421 63.531 4.117 -13.679 1.00 0.00 O ATOM 220 CB PRO A 421 61.736 6.474 -12.410 1.00 0.00 C ATOM 221 CG PRO A 421 62.194 7.308 -11.253 1.00 0.00 C ATOM 222 CD PRO A 421 62.223 6.429 -10.026 1.00 0.00 C ATOM 0 HA PRO A 421 61.329 4.328 -12.433 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.252 6.758 -13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 421 60.669 6.606 -12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 421 63.183 7.721 -11.449 1.00 0.00 H new ATOM 0 HG3 PRO A 421 61.521 8.152 -11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 421 63.157 6.545 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 421 61.416 6.681 -9.338 1.00 0.00 H new ATOM 230 N THR A 422 64.451 4.749 -11.783 1.00 0.00 N ATOM 231 CA THR A 422 65.810 4.333 -12.239 1.00 0.00 C ATOM 232 C THR A 422 66.448 3.429 -11.181 1.00 0.00 C ATOM 233 O THR A 422 67.565 3.645 -10.755 1.00 0.00 O ATOM 234 CB THR A 422 66.598 5.635 -12.386 1.00 0.00 C ATOM 235 OG1 THR A 422 66.282 6.503 -11.306 1.00 0.00 O ATOM 236 CG2 THR A 422 66.232 6.309 -13.709 1.00 0.00 C ATOM 0 H THR A 422 64.413 5.145 -10.844 1.00 0.00 H new ATOM 0 HA THR A 422 65.788 3.773 -13.174 1.00 0.00 H new ATOM 0 HB THR A 422 67.666 5.416 -12.376 1.00 0.00 H new ATOM 0 HG1 THR A 422 66.788 7.337 -11.398 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.794 7.237 -13.812 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.476 5.643 -14.536 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.164 6.528 -13.722 1.00 0.00 H new ATOM 244 N CYS A 423 65.736 2.423 -10.748 1.00 0.00 N ATOM 245 CA CYS A 423 66.283 1.504 -9.709 1.00 0.00 C ATOM 246 C CYS A 423 66.861 0.242 -10.356 1.00 0.00 C ATOM 247 O CYS A 423 66.484 -0.140 -11.447 1.00 0.00 O ATOM 248 CB CYS A 423 65.080 1.154 -8.829 1.00 0.00 C ATOM 249 SG CYS A 423 65.596 0.038 -7.499 1.00 0.00 S ATOM 0 H CYS A 423 64.795 2.198 -11.071 1.00 0.00 H new ATOM 0 HA CYS A 423 67.093 1.960 -9.140 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.650 2.062 -8.407 1.00 0.00 H new ATOM 0 HB3 CYS A 423 64.303 0.683 -9.431 1.00 0.00 H new ATOM 0 HG CYS A 423 64.682 -0.868 -7.314 1.00 0.00 H new ATOM 254 N ASP A 424 67.769 -0.409 -9.680 1.00 0.00 N ATOM 255 CA ASP A 424 68.378 -1.653 -10.233 1.00 0.00 C ATOM 256 C ASP A 424 68.653 -2.638 -9.094 1.00 0.00 C ATOM 257 O ASP A 424 69.661 -3.318 -9.076 1.00 0.00 O ATOM 258 CB ASP A 424 69.686 -1.201 -10.886 1.00 0.00 C ATOM 259 CG ASP A 424 69.865 -1.920 -12.225 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.737 -3.133 -12.247 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.128 -1.243 -13.207 1.00 0.00 O ATOM 0 H ASP A 424 68.117 -0.131 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 424 67.728 -2.158 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.674 -0.122 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 424 70.527 -1.420 -10.229 1.00 0.00 H new ATOM 266 N VAL A 425 67.764 -2.709 -8.140 1.00 0.00 N ATOM 267 CA VAL A 425 67.965 -3.638 -6.990 1.00 0.00 C ATOM 268 C VAL A 425 67.766 -5.089 -7.439 1.00 0.00 C ATOM 269 O VAL A 425 66.717 -5.468 -7.923 1.00 0.00 O ATOM 270 CB VAL A 425 66.908 -3.222 -5.960 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.795 -4.280 -4.856 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.318 -1.885 -5.338 1.00 0.00 C ATOM 0 H VAL A 425 66.904 -2.162 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 425 68.972 -3.582 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 425 65.943 -3.126 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 425 66.041 -3.971 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.507 -5.235 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.757 -4.387 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.572 -1.581 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.286 -1.993 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.389 -1.127 -6.118 1.00 0.00 H new ATOM 282 N ASP A 426 68.775 -5.898 -7.275 1.00 0.00 N ATOM 283 CA ASP A 426 68.675 -7.330 -7.678 1.00 0.00 C ATOM 284 C ASP A 426 69.716 -8.149 -6.914 1.00 0.00 C ATOM 285 O ASP A 426 70.874 -7.785 -6.851 1.00 0.00 O ATOM 286 CB ASP A 426 68.973 -7.343 -9.178 1.00 0.00 C ATOM 287 CG ASP A 426 68.478 -8.657 -9.784 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.310 -8.966 -9.609 1.00 0.00 O ATOM 289 OD2 ASP A 426 69.275 -9.333 -10.415 1.00 0.00 O ATOM 0 H ASP A 426 69.673 -5.626 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 426 67.698 -7.761 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 426 68.484 -6.499 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.044 -7.232 -9.348 1.00 0.00 H new ATOM 294 N ILE A 427 69.316 -9.244 -6.324 1.00 0.00 N ATOM 295 CA ILE A 427 70.287 -10.077 -5.554 1.00 0.00 C ATOM 296 C ILE A 427 71.523 -10.396 -6.402 1.00 0.00 C ATOM 297 O ILE A 427 72.611 -10.564 -5.887 1.00 0.00 O ATOM 298 CB ILE A 427 69.528 -11.352 -5.191 1.00 0.00 C ATOM 299 CG1 ILE A 427 70.390 -12.206 -4.257 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.199 -12.144 -6.460 1.00 0.00 C ATOM 301 CD1 ILE A 427 69.724 -12.296 -2.882 1.00 0.00 C ATOM 0 H ILE A 427 68.360 -9.598 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 427 70.651 -9.559 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 427 68.598 -11.088 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 427 70.519 -13.204 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 427 71.384 -11.769 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 427 68.658 -13.052 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 427 68.581 -11.534 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.123 -12.411 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 427 70.339 -12.904 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 427 69.618 -11.295 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 427 68.739 -12.753 -2.984 1.00 0.00 H new ATOM 313 N ASN A 428 71.369 -10.465 -7.700 1.00 0.00 N ATOM 314 CA ASN A 428 72.545 -10.757 -8.573 1.00 0.00 C ATOM 315 C ASN A 428 73.662 -9.752 -8.279 1.00 0.00 C ATOM 316 O ASN A 428 74.831 -10.032 -8.459 1.00 0.00 O ATOM 317 CB ASN A 428 72.033 -10.590 -10.005 1.00 0.00 C ATOM 318 CG ASN A 428 72.782 -11.549 -10.931 1.00 0.00 C ATOM 319 OD1 ASN A 428 73.844 -11.229 -11.426 1.00 0.00 O ATOM 320 ND2 ASN A 428 72.269 -12.721 -11.189 1.00 0.00 N ATOM 0 H ASN A 428 70.485 -10.332 -8.191 1.00 0.00 H new ATOM 0 HA ASN A 428 72.952 -11.754 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 428 70.962 -10.791 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.177 -9.562 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 428 72.760 -13.368 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 428 71.377 -12.990 -10.773 1.00 0.00 H new ATOM 327 N THR A 429 73.301 -8.587 -7.813 1.00 0.00 N ATOM 328 CA THR A 429 74.322 -7.553 -7.485 1.00 0.00 C ATOM 329 C THR A 429 73.912 -6.796 -6.214 1.00 0.00 C ATOM 330 O THR A 429 74.429 -5.736 -5.920 1.00 0.00 O ATOM 331 CB THR A 429 74.342 -6.611 -8.693 1.00 0.00 C ATOM 332 OG1 THR A 429 75.271 -5.562 -8.457 1.00 0.00 O ATOM 333 CG2 THR A 429 72.948 -6.020 -8.914 1.00 0.00 C ATOM 0 H THR A 429 72.335 -8.306 -7.645 1.00 0.00 H new ATOM 0 HA THR A 429 75.304 -7.986 -7.296 1.00 0.00 H new ATOM 0 HB THR A 429 74.638 -7.169 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.274 -5.336 -7.503 1.00 0.00 H new ATOM 0 HG21 THR A 429 72.969 -5.351 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.236 -6.825 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.645 -5.462 -8.028 1.00 0.00 H new ATOM 341 N TRP A 430 72.986 -7.335 -5.460 1.00 0.00 N ATOM 342 CA TRP A 430 72.543 -6.650 -4.211 1.00 0.00 C ATOM 343 C TRP A 430 73.085 -7.379 -2.983 1.00 0.00 C ATOM 344 O TRP A 430 73.562 -8.494 -3.067 1.00 0.00 O ATOM 345 CB TRP A 430 71.019 -6.733 -4.213 1.00 0.00 C ATOM 346 CG TRP A 430 70.483 -5.909 -3.099 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.209 -4.583 -3.125 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.164 -6.368 -1.784 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.733 -4.211 -1.874 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.690 -5.291 -1.011 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.251 -7.624 -1.212 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.307 -5.471 0.320 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.871 -7.827 0.123 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.398 -6.748 0.892 1.00 0.00 C ATOM 0 H TRP A 430 72.519 -8.220 -5.657 1.00 0.00 H new ATOM 0 HA TRP A 430 72.903 -5.622 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.625 -6.379 -5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.699 -7.769 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.338 -3.927 -3.973 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.451 -3.263 -1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.614 -8.455 -1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.945 -4.636 0.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.942 -8.812 0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.106 -6.903 1.920 1.00 0.00 H new ATOM 365 N VAL A 431 72.993 -6.758 -1.839 1.00 0.00 N ATOM 366 CA VAL A 431 73.480 -7.404 -0.587 1.00 0.00 C ATOM 367 C VAL A 431 72.712 -6.845 0.615 1.00 0.00 C ATOM 368 O VAL A 431 72.063 -5.824 0.508 1.00 0.00 O ATOM 369 CB VAL A 431 74.962 -7.039 -0.488 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.726 -7.630 -1.676 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.124 -5.515 -0.484 1.00 0.00 C ATOM 0 H VAL A 431 72.599 -5.825 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 431 73.333 -8.484 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 431 75.365 -7.448 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.781 -7.366 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.623 -8.715 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.319 -7.231 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.182 -5.262 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.713 -5.103 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.592 -5.095 0.370 1.00 0.00 H new ATOM 381 N PRO A 432 72.808 -7.529 1.728 1.00 0.00 N ATOM 382 CA PRO A 432 72.106 -7.073 2.952 1.00 0.00 C ATOM 383 C PRO A 432 72.771 -5.812 3.510 1.00 0.00 C ATOM 384 O PRO A 432 73.802 -5.872 4.149 1.00 0.00 O ATOM 385 CB PRO A 432 72.262 -8.248 3.915 1.00 0.00 C ATOM 386 CG PRO A 432 73.484 -8.971 3.445 1.00 0.00 C ATOM 387 CD PRO A 432 73.565 -8.768 1.955 1.00 0.00 C ATOM 0 HA PRO A 432 71.062 -6.811 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.377 -7.904 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.386 -8.896 3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.376 -8.583 3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.423 -10.032 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.598 -8.673 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.130 -9.608 1.413 1.00 0.00 H new ATOM 395 N PHE A 433 72.183 -4.670 3.271 1.00 0.00 N ATOM 396 CA PHE A 433 72.773 -3.399 3.783 1.00 0.00 C ATOM 397 C PHE A 433 72.340 -3.161 5.232 1.00 0.00 C ATOM 398 O PHE A 433 73.004 -2.474 5.983 1.00 0.00 O ATOM 399 CB PHE A 433 72.211 -2.306 2.869 1.00 0.00 C ATOM 400 CG PHE A 433 73.346 -1.547 2.225 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.255 -2.217 1.398 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.489 -0.173 2.455 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.307 -1.514 0.801 1.00 0.00 C ATOM 404 CE2 PHE A 433 74.541 0.530 1.857 1.00 0.00 C ATOM 405 CZ PHE A 433 75.450 -0.140 1.030 1.00 0.00 C ATOM 0 H PHE A 433 71.318 -4.563 2.742 1.00 0.00 H new ATOM 0 HA PHE A 433 73.863 -3.417 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 433 71.577 -2.751 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.585 -1.624 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.144 -3.277 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 433 72.788 0.344 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.009 -2.031 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 433 74.651 1.590 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.262 0.403 0.569 1.00 0.00 H new ATOM 415 N TYR A 434 71.227 -3.719 5.626 1.00 0.00 N ATOM 416 CA TYR A 434 70.742 -3.522 7.025 1.00 0.00 C ATOM 417 C TYR A 434 71.176 -4.699 7.903 1.00 0.00 C ATOM 418 O TYR A 434 71.208 -5.832 7.465 1.00 0.00 O ATOM 419 CB TYR A 434 69.214 -3.465 6.919 1.00 0.00 C ATOM 420 CG TYR A 434 68.810 -2.597 5.748 1.00 0.00 C ATOM 421 CD1 TYR A 434 68.921 -1.204 5.834 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.331 -3.189 4.573 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.553 -0.404 4.747 1.00 0.00 C ATOM 424 CE2 TYR A 434 67.961 -2.388 3.486 1.00 0.00 C ATOM 425 CZ TYR A 434 68.072 -0.997 3.573 1.00 0.00 C ATOM 426 OH TYR A 434 67.706 -0.207 2.501 1.00 0.00 O ATOM 0 H TYR A 434 70.631 -4.304 5.040 1.00 0.00 H new ATOM 0 HA TYR A 434 71.149 -2.618 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.812 -4.470 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.792 -3.066 7.841 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.291 -0.747 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.247 -4.264 4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.640 0.670 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.590 -2.845 2.580 1.00 0.00 H new ATOM 0 HH TYR A 434 67.395 -0.776 1.766 1.00 0.00 H new ATOM 436 N SER A 435 71.509 -4.437 9.138 1.00 0.00 N ATOM 437 CA SER A 435 71.941 -5.540 10.047 1.00 0.00 C ATOM 438 C SER A 435 70.738 -6.391 10.463 1.00 0.00 C ATOM 439 O SER A 435 70.880 -7.534 10.855 1.00 0.00 O ATOM 440 CB SER A 435 72.547 -4.839 11.263 1.00 0.00 C ATOM 441 OG SER A 435 73.853 -4.381 10.939 1.00 0.00 O ATOM 0 H SER A 435 71.501 -3.507 9.558 1.00 0.00 H new ATOM 0 HA SER A 435 72.652 -6.212 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.919 -4.000 11.564 1.00 0.00 H new ATOM 0 HB3 SER A 435 72.589 -5.525 12.109 1.00 0.00 H new ATOM 0 HG SER A 435 74.244 -3.930 11.716 1.00 0.00 H new ATOM 447 N THR A 436 69.554 -5.843 10.384 1.00 0.00 N ATOM 448 CA THR A 436 68.341 -6.620 10.777 1.00 0.00 C ATOM 449 C THR A 436 67.933 -7.577 9.652 1.00 0.00 C ATOM 450 O THR A 436 67.316 -8.597 9.889 1.00 0.00 O ATOM 451 CB THR A 436 67.255 -5.570 11.010 1.00 0.00 C ATOM 452 OG1 THR A 436 67.285 -4.618 9.956 1.00 0.00 O ATOM 453 CG2 THR A 436 67.500 -4.864 12.345 1.00 0.00 C ATOM 0 H THR A 436 69.374 -4.891 10.064 1.00 0.00 H new ATOM 0 HA THR A 436 68.513 -7.231 11.663 1.00 0.00 H new ATOM 0 HB THR A 436 66.280 -6.056 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.588 -3.945 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 436 66.724 -4.116 12.509 1.00 0.00 H new ATOM 0 HG22 THR A 436 67.475 -5.595 13.153 1.00 0.00 H new ATOM 0 HG23 THR A 436 68.475 -4.377 12.326 1.00 0.00 H new ATOM 461 N GLU A 437 68.270 -7.254 8.431 1.00 0.00 N ATOM 462 CA GLU A 437 67.897 -8.145 7.294 1.00 0.00 C ATOM 463 C GLU A 437 69.145 -8.801 6.698 1.00 0.00 C ATOM 464 O GLU A 437 69.878 -8.191 5.944 1.00 0.00 O ATOM 465 CB GLU A 437 67.235 -7.225 6.267 1.00 0.00 C ATOM 466 CG GLU A 437 65.950 -6.638 6.859 1.00 0.00 C ATOM 467 CD GLU A 437 64.877 -6.556 5.773 1.00 0.00 C ATOM 468 OE1 GLU A 437 65.210 -6.162 4.667 1.00 0.00 O ATOM 469 OE2 GLU A 437 63.740 -6.890 6.064 1.00 0.00 O ATOM 0 H GLU A 437 68.786 -6.413 8.173 1.00 0.00 H new ATOM 0 HA GLU A 437 67.234 -8.952 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.918 -6.423 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.008 -7.782 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.601 -7.259 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.145 -5.646 7.267 1.00 0.00 H new ATOM 476 N LEU A 438 69.389 -10.041 7.026 1.00 0.00 N ATOM 477 CA LEU A 438 70.588 -10.740 6.474 1.00 0.00 C ATOM 478 C LEU A 438 70.457 -10.896 4.956 1.00 0.00 C ATOM 479 O LEU A 438 71.432 -11.090 4.257 1.00 0.00 O ATOM 480 CB LEU A 438 70.602 -12.110 7.156 1.00 0.00 C ATOM 481 CG LEU A 438 72.025 -12.671 7.145 1.00 0.00 C ATOM 482 CD1 LEU A 438 72.159 -13.744 8.226 1.00 0.00 C ATOM 483 CD2 LEU A 438 72.319 -13.290 5.776 1.00 0.00 C ATOM 0 H LEU A 438 68.811 -10.601 7.652 1.00 0.00 H new ATOM 0 HA LEU A 438 71.509 -10.186 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 438 70.243 -12.021 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 438 69.927 -12.792 6.639 1.00 0.00 H new ATOM 0 HG LEU A 438 72.733 -11.866 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 438 73.173 -14.144 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 438 71.949 -13.306 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 438 71.450 -14.549 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 438 73.333 -13.690 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 438 71.610 -14.095 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 438 72.224 -12.527 5.004 1.00 0.00 H new ATOM 495 N ASN A 439 69.257 -10.812 4.442 1.00 0.00 N ATOM 496 CA ASN A 439 69.059 -10.954 2.970 1.00 0.00 C ATOM 497 C ASN A 439 67.830 -10.155 2.528 1.00 0.00 C ATOM 498 O ASN A 439 67.007 -9.774 3.334 1.00 0.00 O ATOM 499 CB ASN A 439 68.840 -12.451 2.740 1.00 0.00 C ATOM 500 CG ASN A 439 70.031 -13.034 1.975 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.163 -12.666 2.218 1.00 0.00 O ATOM 502 ND2 ASN A 439 69.822 -13.936 1.055 1.00 0.00 N ATOM 0 H ASN A 439 68.405 -10.651 4.980 1.00 0.00 H new ATOM 0 HA ASN A 439 69.907 -10.577 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.723 -12.962 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 439 67.920 -12.612 2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 439 70.609 -14.332 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 439 68.872 -14.245 0.851 1.00 0.00 H new ATOM 509 N LYS A 440 67.702 -9.905 1.250 1.00 0.00 N ATOM 510 CA LYS A 440 66.527 -9.133 0.737 1.00 0.00 C ATOM 511 C LYS A 440 66.539 -7.702 1.306 1.00 0.00 C ATOM 512 O LYS A 440 66.874 -7.497 2.455 1.00 0.00 O ATOM 513 CB LYS A 440 65.286 -9.929 1.195 1.00 0.00 C ATOM 514 CG LYS A 440 64.462 -9.136 2.220 1.00 0.00 C ATOM 515 CD LYS A 440 63.414 -10.056 2.852 1.00 0.00 C ATOM 516 CE LYS A 440 63.243 -9.698 4.332 1.00 0.00 C ATOM 517 NZ LYS A 440 61.869 -9.134 4.436 1.00 0.00 N ATOM 0 H LYS A 440 68.365 -10.204 0.534 1.00 0.00 H new ATOM 0 HA LYS A 440 66.539 -9.023 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.665 -10.167 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.600 -10.877 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 440 65.116 -8.728 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 440 63.974 -8.290 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 440 62.463 -9.953 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 440 63.721 -11.097 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.358 -10.577 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.992 -8.974 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 61.696 -8.818 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 61.776 -8.325 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 61.174 -9.864 4.180 1.00 0.00 H new ATOM 531 N PRO A 441 66.175 -6.754 0.476 1.00 0.00 N ATOM 532 CA PRO A 441 66.148 -5.333 0.908 1.00 0.00 C ATOM 533 C PRO A 441 64.989 -5.081 1.877 1.00 0.00 C ATOM 534 O PRO A 441 64.113 -5.908 2.045 1.00 0.00 O ATOM 535 CB PRO A 441 65.938 -4.564 -0.394 1.00 0.00 C ATOM 536 CG PRO A 441 65.276 -5.537 -1.316 1.00 0.00 C ATOM 537 CD PRO A 441 65.760 -6.910 -0.926 1.00 0.00 C ATOM 0 HA PRO A 441 67.054 -5.035 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.315 -3.683 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.886 -4.215 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.191 -5.472 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.529 -5.319 -2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 441 64.972 -7.656 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.589 -7.235 -1.554 1.00 0.00 H new ATOM 545 N ALA A 442 64.979 -3.938 2.510 1.00 0.00 N ATOM 546 CA ALA A 442 63.879 -3.614 3.463 1.00 0.00 C ATOM 547 C ALA A 442 62.942 -2.580 2.834 1.00 0.00 C ATOM 548 O ALA A 442 62.931 -1.424 3.211 1.00 0.00 O ATOM 549 CB ALA A 442 64.578 -3.031 4.692 1.00 0.00 C ATOM 0 H ALA A 442 65.688 -3.212 2.407 1.00 0.00 H new ATOM 0 HA ALA A 442 63.275 -4.484 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.833 -2.766 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.263 -3.771 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.136 -2.140 4.405 1.00 0.00 H new ATOM 555 N MET A 443 62.167 -2.988 1.866 1.00 0.00 N ATOM 556 CA MET A 443 61.237 -2.035 1.193 1.00 0.00 C ATOM 557 C MET A 443 60.258 -1.427 2.203 1.00 0.00 C ATOM 558 O MET A 443 59.827 -2.077 3.134 1.00 0.00 O ATOM 559 CB MET A 443 60.485 -2.876 0.160 1.00 0.00 C ATOM 560 CG MET A 443 61.421 -3.215 -1.006 1.00 0.00 C ATOM 561 SD MET A 443 60.658 -2.712 -2.570 1.00 0.00 S ATOM 562 CE MET A 443 59.443 -4.050 -2.670 1.00 0.00 C ATOM 0 H MET A 443 62.137 -3.944 1.511 1.00 0.00 H new ATOM 0 HA MET A 443 61.771 -1.202 0.735 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.115 -3.792 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.615 -2.330 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 443 62.377 -2.707 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 443 61.628 -4.285 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.725 -4.739 -3.466 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.412 -4.585 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 443 58.459 -3.633 -2.883 1.00 0.00 H new ATOM 572 N ILE A 444 59.904 -0.184 2.017 1.00 0.00 N ATOM 573 CA ILE A 444 58.950 0.478 2.950 1.00 0.00 C ATOM 574 C ILE A 444 57.632 0.770 2.226 1.00 0.00 C ATOM 575 O ILE A 444 57.544 0.671 1.016 1.00 0.00 O ATOM 576 CB ILE A 444 59.639 1.780 3.368 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.976 2.612 2.125 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.927 1.455 4.125 1.00 0.00 C ATOM 579 CD1 ILE A 444 59.971 4.098 2.489 1.00 0.00 C ATOM 0 H ILE A 444 60.238 0.404 1.253 1.00 0.00 H new ATOM 0 HA ILE A 444 58.710 -0.144 3.812 1.00 0.00 H new ATOM 0 HB ILE A 444 58.969 2.349 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 444 60.953 2.325 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.249 2.417 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.418 2.382 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.689 0.869 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.594 0.882 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.211 4.690 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 444 58.984 4.379 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.715 4.285 3.264 1.00 0.00 H new ATOM 591 N TYR A 445 56.609 1.126 2.957 1.00 0.00 N ATOM 592 CA TYR A 445 55.292 1.420 2.320 1.00 0.00 C ATOM 593 C TYR A 445 55.085 2.932 2.190 1.00 0.00 C ATOM 594 O TYR A 445 55.132 3.660 3.163 1.00 0.00 O ATOM 595 CB TYR A 445 54.257 0.817 3.269 1.00 0.00 C ATOM 596 CG TYR A 445 52.931 0.684 2.560 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.643 -0.472 1.824 1.00 0.00 C ATOM 598 CD2 TYR A 445 51.990 1.716 2.640 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.412 -0.595 1.169 1.00 0.00 C ATOM 600 CE2 TYR A 445 50.758 1.593 1.985 1.00 0.00 C ATOM 601 CZ TYR A 445 50.469 0.437 1.250 1.00 0.00 C ATOM 602 OH TYR A 445 49.255 0.315 0.604 1.00 0.00 O ATOM 0 H TYR A 445 56.629 1.226 3.972 1.00 0.00 H new ATOM 0 HA TYR A 445 55.219 1.007 1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.594 -0.160 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 445 54.147 1.448 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 445 53.370 -1.268 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 445 52.213 2.608 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 445 51.189 -1.486 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 445 50.031 2.390 2.047 1.00 0.00 H new ATOM 0 HH TYR A 445 48.731 1.132 0.736 1.00 0.00 H new ATOM 612 N CYS A 446 54.852 3.411 0.995 1.00 0.00 N ATOM 613 CA CYS A 446 54.637 4.878 0.805 1.00 0.00 C ATOM 614 C CYS A 446 53.287 5.291 1.401 1.00 0.00 C ATOM 615 O CYS A 446 52.410 4.474 1.601 1.00 0.00 O ATOM 616 CB CYS A 446 54.644 5.091 -0.713 1.00 0.00 C ATOM 617 SG CYS A 446 54.327 6.836 -1.094 1.00 0.00 S ATOM 0 H CYS A 446 54.801 2.851 0.144 1.00 0.00 H new ATOM 0 HA CYS A 446 55.402 5.476 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.606 4.788 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.885 4.464 -1.180 1.00 0.00 H new ATOM 0 HG CYS A 446 54.257 6.993 -2.383 1.00 0.00 H new ATOM 622 N SER A 447 53.116 6.555 1.683 1.00 0.00 N ATOM 623 CA SER A 447 51.825 7.026 2.262 1.00 0.00 C ATOM 624 C SER A 447 51.084 7.902 1.249 1.00 0.00 C ATOM 625 O SER A 447 50.455 8.880 1.602 1.00 0.00 O ATOM 626 CB SER A 447 52.217 7.844 3.492 1.00 0.00 C ATOM 627 OG SER A 447 51.069 8.053 4.302 1.00 0.00 O ATOM 0 H SER A 447 53.816 7.282 1.537 1.00 0.00 H new ATOM 0 HA SER A 447 51.160 6.201 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.987 7.322 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.640 8.801 3.187 1.00 0.00 H new ATOM 0 HG SER A 447 50.347 8.427 3.755 1.00 0.00 H new ATOM 633 N HIS A 448 51.155 7.556 -0.009 1.00 0.00 N ATOM 634 CA HIS A 448 50.458 8.365 -1.051 1.00 0.00 C ATOM 635 C HIS A 448 49.331 7.547 -1.689 1.00 0.00 C ATOM 636 O HIS A 448 49.571 6.597 -2.407 1.00 0.00 O ATOM 637 CB HIS A 448 51.539 8.692 -2.083 1.00 0.00 C ATOM 638 CG HIS A 448 50.945 9.513 -3.195 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.064 10.893 -3.240 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.225 9.161 -4.310 1.00 0.00 C ATOM 641 CE1 HIS A 448 50.431 11.318 -4.350 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.902 10.303 -5.038 1.00 0.00 N ATOM 0 H HIS A 448 51.667 6.747 -0.360 1.00 0.00 H new ATOM 0 HA HIS A 448 50.001 9.265 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.354 9.239 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.963 7.771 -2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.951 8.152 -4.581 1.00 0.00 H new ATOM 0 HE1 HIS A 448 50.360 12.354 -4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.375 10.354 -5.910 1.00 0.00 H new ATOM 650 N GLY A 449 48.102 7.913 -1.435 1.00 0.00 N ATOM 651 CA GLY A 449 46.959 7.161 -2.026 1.00 0.00 C ATOM 652 C GLY A 449 46.980 5.716 -1.526 1.00 0.00 C ATOM 653 O GLY A 449 46.951 5.461 -0.338 1.00 0.00 O ATOM 0 H GLY A 449 47.841 8.702 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.017 7.637 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.022 7.181 -3.114 1.00 0.00 H new ATOM 657 N ASP A 450 47.033 4.769 -2.424 1.00 0.00 N ATOM 658 CA ASP A 450 47.056 3.337 -2.002 1.00 0.00 C ATOM 659 C ASP A 450 48.355 3.032 -1.251 1.00 0.00 C ATOM 660 O ASP A 450 48.339 2.511 -0.153 1.00 0.00 O ATOM 661 CB ASP A 450 46.989 2.536 -3.303 1.00 0.00 C ATOM 662 CG ASP A 450 46.870 1.046 -2.980 1.00 0.00 C ATOM 663 OD1 ASP A 450 46.183 0.720 -2.026 1.00 0.00 O ATOM 664 OD2 ASP A 450 47.469 0.256 -3.690 1.00 0.00 O ATOM 0 H ASP A 450 47.061 4.924 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 450 46.233 3.091 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 450 46.135 2.859 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.882 2.719 -3.901 1.00 0.00 H new ATOM 669 N GLY A 451 49.479 3.352 -1.835 1.00 0.00 N ATOM 670 CA GLY A 451 50.779 3.083 -1.157 1.00 0.00 C ATOM 671 C GLY A 451 51.448 1.865 -1.797 1.00 0.00 C ATOM 672 O GLY A 451 50.810 0.867 -2.069 1.00 0.00 O ATOM 0 H GLY A 451 49.552 3.789 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.430 3.953 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.617 2.905 -0.094 1.00 0.00 H new ATOM 676 N HIS A 452 52.732 1.936 -2.029 1.00 0.00 N ATOM 677 CA HIS A 452 53.447 0.779 -2.640 1.00 0.00 C ATOM 678 C HIS A 452 54.692 0.431 -1.833 1.00 0.00 C ATOM 679 O HIS A 452 55.032 1.091 -0.868 1.00 0.00 O ATOM 680 CB HIS A 452 53.824 1.185 -4.073 1.00 0.00 C ATOM 681 CG HIS A 452 54.527 2.522 -4.103 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.729 2.704 -4.774 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.206 3.752 -3.582 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.078 3.997 -4.639 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.184 4.673 -3.920 1.00 0.00 N ATOM 0 H HIS A 452 53.316 2.746 -1.821 1.00 0.00 H new ATOM 0 HA HIS A 452 52.811 -0.106 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.470 0.423 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.925 1.232 -4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.324 3.968 -2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.972 4.432 -5.061 1.00 0.00 H new ATOM 0 HE2 HIS A 452 55.213 5.662 -3.670 1.00 0.00 H new ATOM 693 N TRP A 453 55.366 -0.612 -2.223 1.00 0.00 N ATOM 694 CA TRP A 453 56.589 -1.040 -1.494 1.00 0.00 C ATOM 695 C TRP A 453 57.847 -0.641 -2.272 1.00 0.00 C ATOM 696 O TRP A 453 57.993 -0.957 -3.437 1.00 0.00 O ATOM 697 CB TRP A 453 56.465 -2.558 -1.423 1.00 0.00 C ATOM 698 CG TRP A 453 55.636 -2.942 -0.239 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.287 -3.049 -0.241 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.071 -3.273 1.112 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.867 -3.423 1.024 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.930 -3.574 1.892 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.333 -3.341 1.731 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.034 -3.929 3.237 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.442 -3.699 3.085 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.295 -3.992 3.836 1.00 0.00 C ATOM 0 H TRP A 453 55.119 -1.192 -3.025 1.00 0.00 H new ATOM 0 HA TRP A 453 56.675 -0.578 -0.511 1.00 0.00 H new ATOM 0 HB2 TRP A 453 56.009 -2.938 -2.337 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.454 -3.010 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.644 -2.872 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.891 -3.569 1.283 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.223 -3.117 1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.147 -4.153 3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.415 -3.749 3.550 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.386 -4.266 4.877 1.00 0.00 H new ATOM 717 N VAL A 454 58.761 0.045 -1.637 1.00 0.00 N ATOM 718 CA VAL A 454 60.016 0.454 -2.344 1.00 0.00 C ATOM 719 C VAL A 454 61.217 0.360 -1.397 1.00 0.00 C ATOM 720 O VAL A 454 61.112 0.627 -0.219 1.00 0.00 O ATOM 721 CB VAL A 454 59.789 1.902 -2.789 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.793 1.931 -3.948 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.237 2.725 -1.626 1.00 0.00 C ATOM 0 H VAL A 454 58.695 0.340 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 454 60.231 -0.195 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 454 60.739 2.328 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.632 2.962 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 454 59.189 1.353 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.846 1.499 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.078 3.753 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.290 2.299 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.949 2.711 -0.800 1.00 0.00 H new ATOM 733 N HIS A 455 62.358 -0.026 -1.907 1.00 0.00 N ATOM 734 CA HIS A 455 63.576 -0.154 -1.041 1.00 0.00 C ATOM 735 C HIS A 455 63.797 1.125 -0.227 1.00 0.00 C ATOM 736 O HIS A 455 63.303 2.182 -0.566 1.00 0.00 O ATOM 737 CB HIS A 455 64.750 -0.380 -2.005 1.00 0.00 C ATOM 738 CG HIS A 455 64.428 -1.495 -2.949 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.407 -1.321 -4.337 1.00 0.00 N ATOM 740 CD2 HIS A 455 64.065 -2.792 -2.724 1.00 0.00 C ATOM 741 CE1 HIS A 455 64.027 -2.496 -4.888 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.815 -3.395 -3.940 1.00 0.00 N ATOM 0 H HIS A 455 62.502 -0.260 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 455 63.474 -0.972 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.954 0.533 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.653 -0.618 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.987 -3.266 -1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.913 -2.675 -5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.520 -4.361 -4.083 1.00 0.00 H new ATOM 750 N ALA A 456 64.538 1.033 0.845 1.00 0.00 N ATOM 751 CA ALA A 456 64.795 2.238 1.686 1.00 0.00 C ATOM 752 C ALA A 456 66.122 2.888 1.287 1.00 0.00 C ATOM 753 O ALA A 456 66.192 4.077 1.045 1.00 0.00 O ATOM 754 CB ALA A 456 64.867 1.711 3.120 1.00 0.00 C ATOM 0 H ALA A 456 64.977 0.174 1.175 1.00 0.00 H new ATOM 0 HA ALA A 456 64.021 2.997 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.054 2.539 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.922 1.233 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.676 0.984 3.200 1.00 0.00 H new ATOM 760 N GLN A 457 67.175 2.116 1.215 1.00 0.00 N ATOM 761 CA GLN A 457 68.499 2.690 0.831 1.00 0.00 C ATOM 762 C GLN A 457 68.413 3.335 -0.555 1.00 0.00 C ATOM 763 O GLN A 457 69.127 4.270 -0.859 1.00 0.00 O ATOM 764 CB GLN A 457 69.458 1.498 0.812 1.00 0.00 C ATOM 765 CG GLN A 457 70.880 1.990 0.528 1.00 0.00 C ATOM 766 CD GLN A 457 71.178 1.857 -0.966 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.046 0.790 -1.531 1.00 0.00 O ATOM 768 NE2 GLN A 457 71.580 2.903 -1.635 1.00 0.00 N ATOM 0 H GLN A 457 67.176 1.114 1.405 1.00 0.00 H new ATOM 0 HA GLN A 457 68.829 3.466 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.426 0.977 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.150 0.782 0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.985 3.029 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.599 1.410 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 457 71.691 3.800 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.783 2.824 -2.631 1.00 0.00 H new ATOM 777 N CYS A 458 67.539 2.844 -1.395 1.00 0.00 N ATOM 778 CA CYS A 458 67.402 3.431 -2.760 1.00 0.00 C ATOM 779 C CYS A 458 66.983 4.902 -2.661 1.00 0.00 C ATOM 780 O CYS A 458 67.237 5.691 -3.550 1.00 0.00 O ATOM 781 CB CYS A 458 66.306 2.610 -3.441 1.00 0.00 C ATOM 782 SG CYS A 458 67.014 1.083 -4.108 1.00 0.00 S ATOM 0 H CYS A 458 66.915 2.063 -1.194 1.00 0.00 H new ATOM 0 HA CYS A 458 68.339 3.400 -3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.517 2.375 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.848 3.190 -4.242 1.00 0.00 H new ATOM 0 HG CYS A 458 66.466 0.816 -5.256 1.00 0.00 H new ATOM 787 N MET A 459 66.341 5.272 -1.584 1.00 0.00 N ATOM 788 CA MET A 459 65.902 6.690 -1.425 1.00 0.00 C ATOM 789 C MET A 459 66.919 7.464 -0.580 1.00 0.00 C ATOM 790 O MET A 459 66.579 8.412 0.101 1.00 0.00 O ATOM 791 CB MET A 459 64.556 6.614 -0.700 1.00 0.00 C ATOM 792 CG MET A 459 63.593 5.715 -1.483 1.00 0.00 C ATOM 793 SD MET A 459 63.187 6.495 -3.065 1.00 0.00 S ATOM 794 CE MET A 459 61.968 5.274 -3.608 1.00 0.00 C ATOM 0 H MET A 459 66.102 4.654 -0.808 1.00 0.00 H new ATOM 0 HA MET A 459 65.820 7.205 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.697 6.221 0.307 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.132 7.613 -0.596 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.047 4.739 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.684 5.547 -0.905 1.00 0.00 H new ATOM 0 HE1 MET A 459 62.344 4.751 -4.488 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.791 4.556 -2.807 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.034 5.778 -3.857 1.00 0.00 H new ATOM 804 N ASP A 460 68.165 7.067 -0.620 1.00 0.00 N ATOM 805 CA ASP A 460 69.211 7.775 0.182 1.00 0.00 C ATOM 806 C ASP A 460 68.794 7.848 1.655 1.00 0.00 C ATOM 807 O ASP A 460 68.998 8.846 2.318 1.00 0.00 O ATOM 808 CB ASP A 460 69.298 9.179 -0.422 1.00 0.00 C ATOM 809 CG ASP A 460 70.765 9.609 -0.505 1.00 0.00 C ATOM 810 OD1 ASP A 460 71.519 9.246 0.382 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.106 10.296 -1.454 1.00 0.00 O ATOM 0 H ASP A 460 68.505 6.281 -1.174 1.00 0.00 H new ATOM 0 HA ASP A 460 70.171 7.259 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.849 9.188 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 460 68.735 9.885 0.189 1.00 0.00 H new ATOM 816 N LEU A 461 68.212 6.797 2.167 1.00 0.00 N ATOM 817 CA LEU A 461 67.780 6.800 3.595 1.00 0.00 C ATOM 818 C LEU A 461 68.942 6.388 4.503 1.00 0.00 C ATOM 819 O LEU A 461 70.067 6.246 4.063 1.00 0.00 O ATOM 820 CB LEU A 461 66.654 5.769 3.671 1.00 0.00 C ATOM 821 CG LEU A 461 65.329 6.429 3.285 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.294 5.348 2.954 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.824 7.285 4.454 1.00 0.00 C ATOM 0 H LEU A 461 68.017 5.935 1.657 1.00 0.00 H new ATOM 0 HA LEU A 461 67.454 7.787 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.865 4.935 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.588 5.360 4.679 1.00 0.00 H new ATOM 0 HG LEU A 461 65.480 7.063 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.351 5.820 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.653 4.743 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.141 4.712 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.880 7.755 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.673 6.653 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.560 8.056 4.685 1.00 0.00 H new ATOM 835 N GLU A 462 68.676 6.194 5.767 1.00 0.00 N ATOM 836 CA GLU A 462 69.759 5.789 6.709 1.00 0.00 C ATOM 837 C GLU A 462 69.304 4.592 7.548 1.00 0.00 C ATOM 838 O GLU A 462 68.129 4.286 7.624 1.00 0.00 O ATOM 839 CB GLU A 462 69.990 7.012 7.598 1.00 0.00 C ATOM 840 CG GLU A 462 71.489 7.188 7.849 1.00 0.00 C ATOM 841 CD GLU A 462 72.159 7.727 6.585 1.00 0.00 C ATOM 842 OE1 GLU A 462 71.649 8.687 6.030 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.172 7.172 6.191 1.00 0.00 O ATOM 0 H GLU A 462 67.753 6.299 6.189 1.00 0.00 H new ATOM 0 HA GLU A 462 70.669 5.487 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 462 69.584 7.904 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 462 69.464 6.890 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.651 7.875 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.935 6.235 8.131 1.00 0.00 H new ATOM 850 N GLU A 463 70.224 3.911 8.179 1.00 0.00 N ATOM 851 CA GLU A 463 69.843 2.732 9.012 1.00 0.00 C ATOM 852 C GLU A 463 69.007 3.180 10.212 1.00 0.00 C ATOM 853 O GLU A 463 68.071 2.513 10.611 1.00 0.00 O ATOM 854 CB GLU A 463 71.168 2.125 9.477 1.00 0.00 C ATOM 855 CG GLU A 463 70.922 0.717 10.019 1.00 0.00 C ATOM 856 CD GLU A 463 72.242 -0.056 10.054 1.00 0.00 C ATOM 857 OE1 GLU A 463 72.612 -0.604 9.028 1.00 0.00 O ATOM 858 OE2 GLU A 463 72.861 -0.086 11.105 1.00 0.00 O ATOM 0 H GLU A 463 71.222 4.120 8.154 1.00 0.00 H new ATOM 0 HA GLU A 463 69.241 2.013 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.874 2.089 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.615 2.750 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 463 70.494 0.771 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.200 0.195 9.391 1.00 0.00 H new ATOM 865 N ARG A 464 69.335 4.305 10.792 1.00 0.00 N ATOM 866 CA ARG A 464 68.558 4.796 11.968 1.00 0.00 C ATOM 867 C ARG A 464 67.177 5.278 11.523 1.00 0.00 C ATOM 868 O ARG A 464 66.167 4.863 12.059 1.00 0.00 O ATOM 869 CB ARG A 464 69.376 5.959 12.531 1.00 0.00 C ATOM 870 CG ARG A 464 68.978 6.205 13.989 1.00 0.00 C ATOM 871 CD ARG A 464 68.921 7.711 14.259 1.00 0.00 C ATOM 872 NE ARG A 464 70.197 8.027 14.961 1.00 0.00 N ATOM 873 CZ ARG A 464 70.555 9.269 15.134 1.00 0.00 C ATOM 874 NH1 ARG A 464 69.697 10.139 15.592 1.00 0.00 N ATOM 875 NH2 ARG A 464 71.772 9.643 14.847 1.00 0.00 N ATOM 0 H ARG A 464 70.107 4.905 10.502 1.00 0.00 H new ATOM 0 HA ARG A 464 68.399 4.015 12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.440 5.734 12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.204 6.858 11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 464 68.008 5.752 14.193 1.00 0.00 H new ATOM 0 HG3 ARG A 464 69.698 5.732 14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 464 68.831 8.275 13.331 1.00 0.00 H new ATOM 0 HD3 ARG A 464 68.058 7.969 14.873 1.00 0.00 H new ATOM 0 HE ARG A 464 70.790 7.272 15.306 1.00 0.00 H new ATOM 0 HH11 ARG A 464 68.745 9.848 15.815 1.00 0.00 H new ATOM 0 HH12 ARG A 464 69.978 11.110 15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.443 8.964 14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 464 72.052 10.614 14.982 1.00 0.00 H new ATOM 889 N THR A 465 67.123 6.148 10.547 1.00 0.00 N ATOM 890 CA THR A 465 65.803 6.660 10.064 1.00 0.00 C ATOM 891 C THR A 465 64.830 5.497 9.850 1.00 0.00 C ATOM 892 O THR A 465 63.646 5.617 10.093 1.00 0.00 O ATOM 893 CB THR A 465 66.105 7.360 8.738 1.00 0.00 C ATOM 894 OG1 THR A 465 67.202 8.246 8.912 1.00 0.00 O ATOM 895 CG2 THR A 465 64.877 8.147 8.283 1.00 0.00 C ATOM 0 H THR A 465 67.937 6.527 10.062 1.00 0.00 H new ATOM 0 HA THR A 465 65.337 7.336 10.781 1.00 0.00 H new ATOM 0 HB THR A 465 66.355 6.616 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.398 8.694 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.094 8.645 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.037 7.465 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.623 8.893 9.036 1.00 0.00 H new ATOM 903 N LEU A 466 65.324 4.369 9.415 1.00 0.00 N ATOM 904 CA LEU A 466 64.428 3.195 9.207 1.00 0.00 C ATOM 905 C LEU A 466 63.891 2.731 10.561 1.00 0.00 C ATOM 906 O LEU A 466 62.727 2.408 10.699 1.00 0.00 O ATOM 907 CB LEU A 466 65.316 2.118 8.578 1.00 0.00 C ATOM 908 CG LEU A 466 64.532 1.377 7.495 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.476 0.454 6.722 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.426 0.544 8.147 1.00 0.00 C ATOM 0 H LEU A 466 66.307 4.210 9.195 1.00 0.00 H new ATOM 0 HA LEU A 466 63.571 3.422 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.208 2.573 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.652 1.417 9.342 1.00 0.00 H new ATOM 0 HG LEU A 466 64.088 2.099 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.917 -0.074 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.265 1.046 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.920 -0.268 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.866 0.015 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.870 -0.178 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.753 1.201 8.698 1.00 0.00 H new ATOM 922 N ILE A 467 64.728 2.719 11.566 1.00 0.00 N ATOM 923 CA ILE A 467 64.260 2.303 12.919 1.00 0.00 C ATOM 924 C ILE A 467 63.256 3.335 13.420 1.00 0.00 C ATOM 925 O ILE A 467 62.179 3.014 13.885 1.00 0.00 O ATOM 926 CB ILE A 467 65.529 2.279 13.794 1.00 0.00 C ATOM 927 CG1 ILE A 467 65.548 0.991 14.623 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.571 3.491 14.742 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.986 0.491 14.758 1.00 0.00 C ATOM 0 H ILE A 467 65.713 2.979 11.507 1.00 0.00 H new ATOM 0 HA ILE A 467 63.766 1.332 12.931 1.00 0.00 H new ATOM 0 HB ILE A 467 66.399 2.321 13.139 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.122 1.175 15.609 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.931 0.230 14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.477 3.448 15.347 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.568 4.411 14.157 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.698 3.473 15.394 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.999 -0.425 15.348 1.00 0.00 H new ATOM 0 HD12 ILE A 467 67.396 0.291 13.768 1.00 0.00 H new ATOM 0 HD13 ILE A 467 67.590 1.250 15.254 1.00 0.00 H new ATOM 941 N HIS A 468 63.617 4.582 13.313 1.00 0.00 N ATOM 942 CA HIS A 468 62.717 5.672 13.765 1.00 0.00 C ATOM 943 C HIS A 468 61.401 5.586 12.990 1.00 0.00 C ATOM 944 O HIS A 468 60.326 5.713 13.544 1.00 0.00 O ATOM 945 CB HIS A 468 63.483 6.956 13.425 1.00 0.00 C ATOM 946 CG HIS A 468 62.599 8.147 13.639 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.916 9.170 14.518 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.399 8.483 13.084 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.917 10.071 14.462 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.964 9.699 13.601 1.00 0.00 N ATOM 0 H HIS A 468 64.508 4.894 12.927 1.00 0.00 H new ATOM 0 HA HIS A 468 62.465 5.624 14.824 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.373 7.035 14.049 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.822 6.925 12.389 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.866 7.893 12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.889 10.982 15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.104 10.199 13.373 1.00 0.00 H new ATOM 958 N LEU A 469 61.488 5.365 11.709 1.00 0.00 N ATOM 959 CA LEU A 469 60.258 5.262 10.876 1.00 0.00 C ATOM 960 C LEU A 469 59.416 4.059 11.313 1.00 0.00 C ATOM 961 O LEU A 469 58.250 3.957 10.984 1.00 0.00 O ATOM 962 CB LEU A 469 60.771 5.076 9.447 1.00 0.00 C ATOM 963 CG LEU A 469 60.790 6.431 8.738 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.649 6.337 7.476 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.361 6.831 8.359 1.00 0.00 C ATOM 0 H LEU A 469 62.364 5.250 11.200 1.00 0.00 H new ATOM 0 HA LEU A 469 59.618 6.139 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.772 4.645 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.131 4.378 8.906 1.00 0.00 H new ATOM 0 HG LEU A 469 61.211 7.183 9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.662 7.303 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.666 6.056 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.232 5.584 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.375 7.797 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.937 6.079 7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.752 6.902 9.260 1.00 0.00 H new ATOM 977 N SER A 470 59.993 3.150 12.056 1.00 0.00 N ATOM 978 CA SER A 470 59.219 1.960 12.516 1.00 0.00 C ATOM 979 C SER A 470 58.440 2.289 13.795 1.00 0.00 C ATOM 980 O SER A 470 57.785 1.439 14.366 1.00 0.00 O ATOM 981 CB SER A 470 60.271 0.887 12.791 1.00 0.00 C ATOM 982 OG SER A 470 59.688 -0.398 12.614 1.00 0.00 O ATOM 0 H SER A 470 60.965 3.181 12.363 1.00 0.00 H new ATOM 0 HA SER A 470 58.487 1.636 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.118 1.011 12.117 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.654 0.989 13.806 1.00 0.00 H new ATOM 0 HG SER A 470 60.361 -1.089 12.788 1.00 0.00 H new ATOM 988 N GLU A 471 58.504 3.515 14.252 1.00 0.00 N ATOM 989 CA GLU A 471 57.766 3.890 15.493 1.00 0.00 C ATOM 990 C GLU A 471 56.276 4.068 15.191 1.00 0.00 C ATOM 991 O GLU A 471 55.434 3.892 16.049 1.00 0.00 O ATOM 992 CB GLU A 471 58.386 5.217 15.937 1.00 0.00 C ATOM 993 CG GLU A 471 58.154 5.413 17.436 1.00 0.00 C ATOM 994 CD GLU A 471 59.228 6.343 18.003 1.00 0.00 C ATOM 995 OE1 GLU A 471 59.291 7.480 17.564 1.00 0.00 O ATOM 996 OE2 GLU A 471 59.971 5.903 18.864 1.00 0.00 O ATOM 0 H GLU A 471 59.035 4.270 13.819 1.00 0.00 H new ATOM 0 HA GLU A 471 57.843 3.125 16.266 1.00 0.00 H new ATOM 0 HB2 GLU A 471 59.454 5.222 15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 471 57.943 6.042 15.379 1.00 0.00 H new ATOM 0 HG2 GLU A 471 57.164 5.835 17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 471 58.184 4.451 17.948 1.00 0.00 H new ATOM 1003 N GLY A 472 55.945 4.416 13.975 1.00 0.00 N ATOM 1004 CA GLY A 472 54.510 4.605 13.616 1.00 0.00 C ATOM 1005 C GLY A 472 54.192 6.099 13.545 1.00 0.00 C ATOM 1006 O GLY A 472 54.901 6.921 14.092 1.00 0.00 O ATOM 0 H GLY A 472 56.607 4.577 13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 472 54.299 4.132 12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 472 53.873 4.122 14.357 1.00 0.00 H new ATOM 1010 N SER A 473 53.129 6.458 12.872 1.00 0.00 N ATOM 1011 CA SER A 473 52.755 7.902 12.759 1.00 0.00 C ATOM 1012 C SER A 473 53.948 8.728 12.264 1.00 0.00 C ATOM 1013 O SER A 473 54.325 9.714 12.867 1.00 0.00 O ATOM 1014 CB SER A 473 52.358 8.327 14.173 1.00 0.00 C ATOM 1015 OG SER A 473 50.946 8.233 14.312 1.00 0.00 O ATOM 0 H SER A 473 52.501 5.812 12.394 1.00 0.00 H new ATOM 0 HA SER A 473 51.946 8.058 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 473 52.851 7.691 14.908 1.00 0.00 H new ATOM 0 HB3 SER A 473 52.687 9.349 14.364 1.00 0.00 H new ATOM 0 HG SER A 473 50.688 8.503 15.218 1.00 0.00 H new ATOM 1021 N ASN A 474 54.542 8.331 11.170 1.00 0.00 N ATOM 1022 CA ASN A 474 55.710 9.091 10.634 1.00 0.00 C ATOM 1023 C ASN A 474 55.377 9.667 9.255 1.00 0.00 C ATOM 1024 O ASN A 474 55.146 8.941 8.308 1.00 0.00 O ATOM 1025 CB ASN A 474 56.836 8.063 10.529 1.00 0.00 C ATOM 1026 CG ASN A 474 57.354 7.727 11.928 1.00 0.00 C ATOM 1027 OD1 ASN A 474 57.020 6.698 12.482 1.00 0.00 O ATOM 1028 ND2 ASN A 474 58.162 8.557 12.529 1.00 0.00 N ATOM 0 H ASN A 474 54.269 7.514 10.624 1.00 0.00 H new ATOM 0 HA ASN A 474 55.985 9.932 11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 474 56.473 7.160 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 474 57.646 8.457 9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 474 58.512 8.342 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 474 58.443 9.421 12.065 1.00 0.00 H new ATOM 1035 N LYS A 475 55.351 10.967 9.137 1.00 0.00 N ATOM 1036 CA LYS A 475 55.033 11.593 7.819 1.00 0.00 C ATOM 1037 C LYS A 475 56.142 11.285 6.808 1.00 0.00 C ATOM 1038 O LYS A 475 57.029 12.084 6.583 1.00 0.00 O ATOM 1039 CB LYS A 475 54.959 13.097 8.099 1.00 0.00 C ATOM 1040 CG LYS A 475 53.682 13.672 7.479 1.00 0.00 C ATOM 1041 CD LYS A 475 52.478 13.322 8.361 1.00 0.00 C ATOM 1042 CE LYS A 475 51.776 14.607 8.806 1.00 0.00 C ATOM 1043 NZ LYS A 475 50.821 14.923 7.707 1.00 0.00 N ATOM 0 H LYS A 475 55.536 11.623 9.895 1.00 0.00 H new ATOM 0 HA LYS A 475 54.103 11.214 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.967 13.278 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.834 13.598 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 475 53.770 14.754 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 475 53.540 13.270 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 475 51.783 12.688 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.805 12.754 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 475 51.255 14.465 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 475 52.491 15.417 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 50.301 15.793 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 51.346 15.059 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 50.149 14.137 7.594 1.00 0.00 H new ATOM 1057 N TYR A 476 56.095 10.129 6.198 1.00 0.00 N ATOM 1058 CA TYR A 476 57.145 9.766 5.203 1.00 0.00 C ATOM 1059 C TYR A 476 56.515 9.517 3.830 1.00 0.00 C ATOM 1060 O TYR A 476 55.402 9.041 3.722 1.00 0.00 O ATOM 1061 CB TYR A 476 57.780 8.484 5.741 1.00 0.00 C ATOM 1062 CG TYR A 476 59.012 8.168 4.930 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.884 7.700 3.618 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.283 8.352 5.487 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.024 7.416 2.862 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.426 8.066 4.731 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.297 7.598 3.417 1.00 0.00 C ATOM 1068 OH TYR A 476 62.423 7.319 2.670 1.00 0.00 O ATOM 0 H TYR A 476 55.375 9.422 6.346 1.00 0.00 H new ATOM 0 HA TYR A 476 57.879 10.561 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.042 8.606 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.070 7.659 5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.903 7.558 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.382 8.714 6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 476 59.924 7.056 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.407 8.206 5.161 1.00 0.00 H new ATOM 0 HH TYR A 476 62.156 6.961 1.798 1.00 0.00 H new ATOM 1078 N TYR A 477 57.226 9.834 2.780 1.00 0.00 N ATOM 1079 CA TYR A 477 56.679 9.615 1.410 1.00 0.00 C ATOM 1080 C TYR A 477 57.794 9.152 0.469 1.00 0.00 C ATOM 1081 O TYR A 477 58.958 9.430 0.687 1.00 0.00 O ATOM 1082 CB TYR A 477 56.140 10.979 0.978 1.00 0.00 C ATOM 1083 CG TYR A 477 55.006 11.382 1.891 1.00 0.00 C ATOM 1084 CD1 TYR A 477 53.718 10.884 1.667 1.00 0.00 C ATOM 1085 CD2 TYR A 477 55.245 12.254 2.960 1.00 0.00 C ATOM 1086 CE1 TYR A 477 52.667 11.257 2.515 1.00 0.00 C ATOM 1087 CE2 TYR A 477 54.194 12.626 3.807 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.905 12.127 3.585 1.00 0.00 C ATOM 1089 OH TYR A 477 51.869 12.495 4.419 1.00 0.00 O ATOM 0 H TYR A 477 58.163 10.236 2.813 1.00 0.00 H new ATOM 0 HA TYR A 477 55.905 8.848 1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 477 56.934 11.725 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 477 55.792 10.935 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 477 53.534 10.213 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 477 56.239 12.639 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 477 51.672 10.873 2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 477 54.378 13.298 4.632 1.00 0.00 H new ATOM 0 HH TYR A 477 51.210 11.770 4.462 1.00 0.00 H new ATOM 1099 N CYS A 478 57.448 8.446 -0.573 1.00 0.00 N ATOM 1100 CA CYS A 478 58.487 7.962 -1.528 1.00 0.00 C ATOM 1101 C CYS A 478 59.084 9.150 -2.299 1.00 0.00 C ATOM 1102 O CYS A 478 58.921 10.292 -1.915 1.00 0.00 O ATOM 1103 CB CYS A 478 57.747 6.982 -2.459 1.00 0.00 C ATOM 1104 SG CYS A 478 56.989 7.868 -3.847 1.00 0.00 S ATOM 0 H CYS A 478 56.490 8.183 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 478 59.325 7.471 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.444 6.234 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 478 56.979 6.449 -1.898 1.00 0.00 H new ATOM 0 HG CYS A 478 55.732 7.548 -3.931 1.00 0.00 H new ATOM 1109 N ASN A 479 59.775 8.891 -3.377 1.00 0.00 N ATOM 1110 CA ASN A 479 60.382 10.008 -4.163 1.00 0.00 C ATOM 1111 C ASN A 479 59.369 10.574 -5.166 1.00 0.00 C ATOM 1112 O ASN A 479 59.286 11.771 -5.367 1.00 0.00 O ATOM 1113 CB ASN A 479 61.567 9.376 -4.896 1.00 0.00 C ATOM 1114 CG ASN A 479 62.808 10.254 -4.718 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.971 11.242 -5.407 1.00 0.00 O ATOM 1116 ND2 ASN A 479 63.696 9.934 -3.817 1.00 0.00 N ATOM 0 H ASN A 479 59.946 7.956 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 479 60.688 10.838 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 479 61.758 8.376 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.336 9.266 -5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 479 64.526 10.513 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 479 63.560 9.105 -3.239 1.00 0.00 H new ATOM 1123 N GLU A 480 58.607 9.724 -5.801 1.00 0.00 N ATOM 1124 CA GLU A 480 57.606 10.212 -6.799 1.00 0.00 C ATOM 1125 C GLU A 480 56.345 10.750 -6.108 1.00 0.00 C ATOM 1126 O GLU A 480 55.400 11.151 -6.760 1.00 0.00 O ATOM 1127 CB GLU A 480 57.265 8.982 -7.642 1.00 0.00 C ATOM 1128 CG GLU A 480 56.761 9.428 -9.017 1.00 0.00 C ATOM 1129 CD GLU A 480 57.927 9.439 -10.008 1.00 0.00 C ATOM 1130 OE1 GLU A 480 58.933 10.056 -9.702 1.00 0.00 O ATOM 1131 OE2 GLU A 480 57.793 8.832 -11.057 1.00 0.00 O ATOM 0 H GLU A 480 58.633 8.712 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 480 58.001 11.034 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.145 8.349 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 480 56.504 8.384 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 480 55.979 8.753 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 480 56.318 10.422 -8.949 1.00 0.00 H new ATOM 1138 N HIS A 481 56.316 10.767 -4.801 1.00 0.00 N ATOM 1139 CA HIS A 481 55.112 11.284 -4.088 1.00 0.00 C ATOM 1140 C HIS A 481 55.534 12.213 -2.946 1.00 0.00 C ATOM 1141 O HIS A 481 54.886 12.284 -1.920 1.00 0.00 O ATOM 1142 CB HIS A 481 54.412 10.039 -3.539 1.00 0.00 C ATOM 1143 CG HIS A 481 53.950 9.177 -4.681 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.149 7.791 -4.700 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.306 9.481 -5.861 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.637 7.320 -5.855 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.124 8.310 -6.570 1.00 0.00 N ATOM 0 H HIS A 481 57.073 10.446 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 481 54.459 11.862 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.093 9.478 -2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 481 53.562 10.330 -2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 481 52.997 10.466 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.644 6.282 -6.155 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.675 8.223 -7.482 1.00 0.00 H new ATOM 1155 N VAL A 482 56.615 12.924 -3.120 1.00 0.00 N ATOM 1156 CA VAL A 482 57.085 13.851 -2.049 1.00 0.00 C ATOM 1157 C VAL A 482 56.609 15.274 -2.333 1.00 0.00 C ATOM 1158 O VAL A 482 56.467 16.088 -1.440 1.00 0.00 O ATOM 1159 CB VAL A 482 58.613 13.765 -2.096 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.138 14.435 -3.370 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.201 14.467 -0.871 1.00 0.00 C ATOM 0 H VAL A 482 57.195 12.903 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 482 56.695 13.584 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 482 58.911 12.717 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.226 14.369 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 482 58.724 13.931 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 482 58.838 15.483 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.289 14.406 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 482 58.896 15.513 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 482 58.838 13.982 0.035 1.00 0.00 H new ATOM 1171 N GLN A 483 56.365 15.574 -3.574 1.00 0.00 N ATOM 1172 CA GLN A 483 55.899 16.943 -3.943 1.00 0.00 C ATOM 1173 C GLN A 483 54.366 17.012 -3.936 1.00 0.00 C ATOM 1174 O GLN A 483 53.776 17.887 -4.539 1.00 0.00 O ATOM 1175 CB GLN A 483 56.436 17.175 -5.356 1.00 0.00 C ATOM 1176 CG GLN A 483 57.750 17.955 -5.283 1.00 0.00 C ATOM 1177 CD GLN A 483 57.450 19.453 -5.210 1.00 0.00 C ATOM 1178 OE1 GLN A 483 57.743 20.097 -4.222 1.00 0.00 O ATOM 1179 NE2 GLN A 483 56.872 20.041 -6.222 1.00 0.00 N ATOM 0 H GLN A 483 56.468 14.928 -4.357 1.00 0.00 H new ATOM 0 HA GLN A 483 56.250 17.698 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 483 56.595 16.220 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 483 55.706 17.727 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 483 58.321 17.645 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.363 17.738 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 483 56.625 19.502 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 483 56.667 21.039 -6.183 1.00 0.00 H new