USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 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 376 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.23) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.13!) USER MOD Single : A 397 SER OG : rot -47:sc= 0.0913 USER MOD Single : A 399 SER OG : rot -1:sc= 0.549 USER MOD Single : A 406 THR OG1 : rot 90:sc= -2.31! USER MOD Single : A 414 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.001) USER MOD Single : A 420 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.6!) USER MOD Single : A 421 ASN : amide:sc= 0.813 K(o=0.81,f=-0.043) USER MOD Single : A 426 SER OG : rot 76:sc= 1.2 USER MOD Single : A 433 SER OG : rot 138:sc= 1.24 USER MOD Single : A 436 ASN : amide:sc=-0.00584 X(o=-0.0058,f=0.068) USER MOD Single : A 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 7:sc= 0.184 USER MOD Single : A 449 ASN :FLIP amide:sc= -0.197 F(o=-2.9!,f=-0.2) USER MOD Single : A 451 SER OG : rot 180:sc= 0 USER MOD Single : A 453 THR OG1 : rot 19:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 52 N GLN A 376 124.746 -13.441 4.918 1.00 0.00 N ATOM 53 CA GLN A 376 124.429 -12.227 4.165 1.00 0.00 C ATOM 54 C GLN A 376 125.606 -11.257 4.133 1.00 0.00 C ATOM 55 O GLN A 376 126.029 -10.892 3.043 1.00 0.00 O ATOM 56 CB GLN A 376 123.153 -11.526 4.671 1.00 0.00 C ATOM 57 CG GLN A 376 121.851 -12.185 4.257 1.00 0.00 C ATOM 58 CD GLN A 376 121.619 -12.151 2.760 1.00 0.00 C ATOM 59 OE1 GLN A 376 121.033 -11.210 2.234 1.00 0.00 O ATOM 60 NE2 GLN A 376 122.063 -13.164 2.072 1.00 0.00 N ATOM 0 HA GLN A 376 124.230 -12.551 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 376 123.189 -11.480 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 376 123.154 -10.498 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 376 121.851 -13.221 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 376 121.022 -11.686 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 376 122.546 -13.929 2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 376 121.928 -13.193 1.061 1.00 0.00 H new ATOM 69 N PRO A 377 126.140 -10.776 5.328 1.00 0.00 N ATOM 70 CA PRO A 377 127.311 -9.892 5.374 1.00 0.00 C ATOM 71 C PRO A 377 128.530 -10.504 4.667 1.00 0.00 C ATOM 72 O PRO A 377 129.291 -11.279 5.259 1.00 0.00 O ATOM 73 CB PRO A 377 127.614 -9.722 6.879 1.00 0.00 C ATOM 74 CG PRO A 377 126.772 -10.733 7.572 1.00 0.00 C ATOM 75 CD PRO A 377 125.596 -10.975 6.685 1.00 0.00 C ATOM 0 HA PRO A 377 127.108 -8.951 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 377 128.672 -9.884 7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 377 127.373 -8.714 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 377 127.329 -11.655 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 377 126.454 -10.371 8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 377 125.197 -11.981 6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 377 124.784 -10.280 6.897 1.00 0.00 H new ATOM 83 N SER A 378 128.614 -10.276 3.395 1.00 0.00 N ATOM 84 CA SER A 378 129.720 -10.719 2.595 1.00 0.00 C ATOM 85 C SER A 378 130.302 -9.537 1.844 1.00 0.00 C ATOM 86 O SER A 378 131.458 -9.555 1.425 1.00 0.00 O ATOM 87 CB SER A 378 129.236 -11.787 1.610 1.00 0.00 C ATOM 88 OG SER A 378 128.602 -12.857 2.306 1.00 0.00 O ATOM 0 H SER A 378 127.903 -9.767 2.869 1.00 0.00 H new ATOM 0 HA SER A 378 130.492 -11.148 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 378 128.539 -11.345 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 378 130.080 -12.169 1.035 1.00 0.00 H new ATOM 0 HG SER A 378 128.297 -13.530 1.663 1.00 0.00 H new ATOM 94 N ASP A 379 129.502 -8.500 1.692 1.00 0.00 N ATOM 95 CA ASP A 379 129.963 -7.298 0.964 1.00 0.00 C ATOM 96 C ASP A 379 130.680 -6.314 1.876 1.00 0.00 C ATOM 97 O ASP A 379 131.908 -6.339 2.010 1.00 0.00 O ATOM 98 CB ASP A 379 128.807 -6.601 0.128 1.00 0.00 C ATOM 99 CG ASP A 379 129.110 -5.185 -0.287 1.00 0.00 C ATOM 100 OD1 ASP A 379 129.855 -4.962 -1.234 1.00 0.00 O ATOM 101 OD2 ASP A 379 128.571 -4.257 0.392 1.00 0.00 O ATOM 0 H ASP A 379 128.548 -8.448 2.048 1.00 0.00 H new ATOM 0 HA ASP A 379 130.695 -7.649 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 379 128.611 -7.195 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 379 127.892 -6.606 0.721 1.00 0.00 H new ATOM 106 N CYS A 380 129.911 -5.541 2.558 1.00 0.00 N ATOM 107 CA CYS A 380 130.375 -4.448 3.366 1.00 0.00 C ATOM 108 C CYS A 380 129.157 -3.736 3.897 1.00 0.00 C ATOM 109 O CYS A 380 129.087 -3.370 5.076 1.00 0.00 O ATOM 110 CB CYS A 380 131.207 -3.467 2.513 1.00 0.00 C ATOM 111 SG CYS A 380 131.870 -2.028 3.405 1.00 0.00 S ATOM 0 H CYS A 380 128.897 -5.650 2.575 1.00 0.00 H new ATOM 0 HA CYS A 380 131.004 -4.816 4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 380 132.039 -4.013 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 380 130.586 -3.110 1.691 1.00 0.00 H new ATOM 116 N GLY A 381 128.179 -3.537 3.034 1.00 0.00 N ATOM 117 CA GLY A 381 126.981 -2.893 3.485 1.00 0.00 C ATOM 118 C GLY A 381 125.825 -2.989 2.543 1.00 0.00 C ATOM 119 O GLY A 381 124.793 -2.386 2.791 1.00 0.00 O ATOM 0 H GLY A 381 128.195 -3.805 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 381 126.689 -3.328 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 381 127.197 -1.840 3.666 1.00 0.00 H new ATOM 123 N GLU A 382 125.963 -3.709 1.463 1.00 0.00 N ATOM 124 CA GLU A 382 124.804 -3.870 0.593 1.00 0.00 C ATOM 125 C GLU A 382 124.012 -5.083 1.105 1.00 0.00 C ATOM 126 O GLU A 382 122.793 -5.135 1.059 1.00 0.00 O ATOM 127 CB GLU A 382 125.220 -4.033 -0.890 1.00 0.00 C ATOM 128 CG GLU A 382 124.253 -3.417 -1.906 1.00 0.00 C ATOM 129 CD GLU A 382 122.838 -3.931 -1.829 1.00 0.00 C ATOM 130 OE1 GLU A 382 122.525 -4.944 -2.484 1.00 0.00 O ATOM 131 OE2 GLU A 382 121.997 -3.291 -1.188 1.00 0.00 O ATOM 0 H GLU A 382 126.818 -4.178 1.164 1.00 0.00 H new ATOM 0 HA GLU A 382 124.180 -2.977 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 382 126.203 -3.582 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 382 125.323 -5.096 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 382 124.240 -2.336 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 382 124.637 -3.602 -2.909 1.00 0.00 H new ATOM 138 N VAL A 383 124.731 -6.016 1.676 1.00 0.00 N ATOM 139 CA VAL A 383 124.131 -7.198 2.227 1.00 0.00 C ATOM 140 C VAL A 383 124.222 -7.202 3.723 1.00 0.00 C ATOM 141 O VAL A 383 125.058 -7.891 4.302 1.00 0.00 O ATOM 142 CB VAL A 383 124.676 -8.525 1.653 1.00 0.00 C ATOM 143 CG1 VAL A 383 123.641 -9.188 0.758 1.00 0.00 C ATOM 144 CG2 VAL A 383 125.957 -8.292 0.896 1.00 0.00 C ATOM 0 H VAL A 383 125.746 -5.975 1.770 1.00 0.00 H new ATOM 0 HA VAL A 383 123.086 -7.150 1.922 1.00 0.00 H new ATOM 0 HB VAL A 383 124.888 -9.194 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 383 124.045 -10.121 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 383 122.741 -9.398 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 383 123.394 -8.522 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 383 126.323 -9.239 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 383 125.773 -7.602 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 383 126.703 -7.866 1.566 1.00 0.00 H new ATOM 154 N ILE A 384 123.444 -6.346 4.348 1.00 0.00 N ATOM 155 CA ILE A 384 123.427 -6.233 5.802 1.00 0.00 C ATOM 156 C ILE A 384 122.007 -5.954 6.320 1.00 0.00 C ATOM 157 O ILE A 384 121.597 -4.807 6.478 1.00 0.00 O ATOM 158 CB ILE A 384 124.396 -5.133 6.342 1.00 0.00 C ATOM 159 CG1 ILE A 384 124.182 -3.800 5.581 1.00 0.00 C ATOM 160 CG2 ILE A 384 125.858 -5.585 6.302 1.00 0.00 C ATOM 161 CD1 ILE A 384 124.796 -2.595 6.265 1.00 0.00 C ATOM 0 H ILE A 384 122.806 -5.709 3.872 1.00 0.00 H new ATOM 0 HA ILE A 384 123.775 -7.196 6.176 1.00 0.00 H new ATOM 0 HB ILE A 384 124.157 -4.964 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 384 124.605 -3.892 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 384 123.112 -3.630 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 384 126.496 -4.789 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 384 125.980 -6.477 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 384 126.141 -5.812 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 384 124.603 -1.702 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 384 124.355 -2.475 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 384 125.872 -2.741 6.362 1.00 0.00 H new ATOM 173 N GLU A 385 121.249 -7.018 6.503 1.00 0.00 N ATOM 174 CA GLU A 385 119.834 -6.985 6.951 1.00 0.00 C ATOM 175 C GLU A 385 118.965 -6.220 5.935 1.00 0.00 C ATOM 176 O GLU A 385 117.796 -5.896 6.190 1.00 0.00 O ATOM 177 CB GLU A 385 119.701 -6.363 8.352 1.00 0.00 C ATOM 178 CG GLU A 385 118.408 -6.740 9.069 1.00 0.00 C ATOM 179 CD GLU A 385 118.363 -8.209 9.410 1.00 0.00 C ATOM 180 OE1 GLU A 385 118.945 -8.596 10.452 1.00 0.00 O ATOM 181 OE2 GLU A 385 117.759 -9.011 8.659 1.00 0.00 O ATOM 0 H GLU A 385 121.593 -7.965 6.345 1.00 0.00 H new ATOM 0 HA GLU A 385 119.480 -8.014 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 385 120.549 -6.676 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 385 119.755 -5.278 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 385 118.314 -6.152 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 385 117.556 -6.487 8.438 1.00 0.00 H new ATOM 188 N GLU A 386 119.542 -5.962 4.784 1.00 0.00 N ATOM 189 CA GLU A 386 118.873 -5.264 3.745 1.00 0.00 C ATOM 190 C GLU A 386 117.836 -6.204 3.184 1.00 0.00 C ATOM 191 O GLU A 386 118.156 -7.310 2.719 1.00 0.00 O ATOM 192 CB GLU A 386 119.847 -4.867 2.639 1.00 0.00 C ATOM 193 CG GLU A 386 119.680 -3.458 2.089 1.00 0.00 C ATOM 194 CD GLU A 386 119.839 -2.395 3.129 1.00 0.00 C ATOM 195 OE1 GLU A 386 120.980 -2.019 3.423 1.00 0.00 O ATOM 196 OE2 GLU A 386 118.834 -1.908 3.664 1.00 0.00 O ATOM 0 H GLU A 386 120.497 -6.239 4.555 1.00 0.00 H new ATOM 0 HA GLU A 386 118.423 -4.351 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 386 120.863 -4.971 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 386 119.741 -5.574 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 386 120.412 -3.295 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 386 118.694 -3.367 1.634 1.00 0.00 H new ATOM 203 N CYS A 387 116.626 -5.793 3.295 1.00 0.00 N ATOM 204 CA CYS A 387 115.481 -6.506 2.799 1.00 0.00 C ATOM 205 C CYS A 387 115.454 -6.615 1.246 1.00 0.00 C ATOM 206 O CYS A 387 115.057 -7.663 0.775 1.00 0.00 O ATOM 207 CB CYS A 387 114.241 -5.761 3.225 1.00 0.00 C ATOM 208 SG CYS A 387 114.519 -4.706 4.656 1.00 0.00 S ATOM 0 H CYS A 387 116.384 -4.914 3.752 1.00 0.00 H new ATOM 0 HA CYS A 387 115.528 -7.516 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 387 113.885 -5.152 2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 387 113.453 -6.478 3.455 1.00 0.00 H new ATOM 213 N PRO A 388 115.867 -5.503 0.427 1.00 0.00 N ATOM 214 CA PRO A 388 115.737 -5.453 -1.042 1.00 0.00 C ATOM 215 C PRO A 388 115.976 -6.781 -1.785 1.00 0.00 C ATOM 216 O PRO A 388 115.056 -7.611 -1.846 1.00 0.00 O ATOM 217 CB PRO A 388 116.705 -4.339 -1.496 1.00 0.00 C ATOM 218 CG PRO A 388 117.281 -3.749 -0.259 1.00 0.00 C ATOM 219 CD PRO A 388 116.490 -4.257 0.894 1.00 0.00 C ATOM 0 HA PRO A 388 114.699 -5.245 -1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 388 117.490 -4.744 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 388 116.179 -3.582 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 388 118.330 -4.026 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 388 117.242 -2.660 -0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 388 117.129 -4.438 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 388 115.736 -3.533 1.201 1.00 0.00 H new ATOM 227 N ILE A 389 117.179 -6.988 -2.382 1.00 0.00 N ATOM 228 CA ILE A 389 117.493 -8.257 -3.038 1.00 0.00 C ATOM 229 C ILE A 389 116.481 -8.514 -4.234 1.00 0.00 C ATOM 230 O ILE A 389 115.543 -7.711 -4.503 1.00 0.00 O ATOM 231 CB ILE A 389 117.444 -9.426 -1.938 1.00 0.00 C ATOM 232 CG1 ILE A 389 118.361 -9.094 -0.739 1.00 0.00 C ATOM 233 CG2 ILE A 389 117.813 -10.810 -2.480 1.00 0.00 C ATOM 234 CD1 ILE A 389 119.838 -8.993 -1.090 1.00 0.00 C ATOM 0 H ILE A 389 117.928 -6.296 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 389 118.494 -8.232 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 389 116.402 -9.473 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 389 118.038 -8.150 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 389 118.233 -9.861 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 389 117.756 -11.543 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 389 117.119 -11.087 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 389 118.828 -10.786 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 389 120.410 -8.757 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 389 120.180 -9.943 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 389 119.983 -8.206 -1.830 1.00 0.00 H new ATOM 246 N ASP A 390 116.675 -9.575 -4.959 1.00 0.00 N ATOM 247 CA ASP A 390 115.726 -9.981 -5.985 1.00 0.00 C ATOM 248 C ASP A 390 114.363 -10.373 -5.376 1.00 0.00 C ATOM 249 O ASP A 390 113.341 -10.378 -6.064 1.00 0.00 O ATOM 250 CB ASP A 390 116.337 -11.080 -6.861 1.00 0.00 C ATOM 251 CG ASP A 390 115.334 -11.964 -7.558 1.00 0.00 C ATOM 252 OD1 ASP A 390 114.870 -11.617 -8.666 1.00 0.00 O ATOM 253 OD2 ASP A 390 115.016 -13.050 -7.008 1.00 0.00 O ATOM 0 H ASP A 390 117.485 -10.188 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 390 115.520 -9.130 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 390 116.974 -10.614 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 390 116.981 -11.704 -6.241 1.00 0.00 H new ATOM 258 N ALA A 391 114.355 -10.566 -4.050 1.00 0.00 N ATOM 259 CA ALA A 391 113.169 -10.910 -3.283 1.00 0.00 C ATOM 260 C ALA A 391 112.248 -9.703 -3.231 1.00 0.00 C ATOM 261 O ALA A 391 111.070 -9.810 -2.871 1.00 0.00 O ATOM 262 CB ALA A 391 113.578 -11.337 -1.887 1.00 0.00 C ATOM 0 H ALA A 391 115.195 -10.484 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 391 112.640 -11.738 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 391 112.690 -11.595 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 391 114.235 -12.205 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 391 114.104 -10.518 -1.396 1.00 0.00 H new ATOM 268 N CYS A 392 112.823 -8.554 -3.509 1.00 0.00 N ATOM 269 CA CYS A 392 112.063 -7.366 -3.739 1.00 0.00 C ATOM 270 C CYS A 392 111.460 -7.537 -5.112 1.00 0.00 C ATOM 271 O CYS A 392 110.271 -7.759 -5.234 1.00 0.00 O ATOM 272 CB CYS A 392 112.996 -6.121 -3.670 1.00 0.00 C ATOM 273 SG CYS A 392 112.277 -4.413 -3.844 1.00 0.00 S ATOM 0 H CYS A 392 113.833 -8.427 -3.580 1.00 0.00 H new ATOM 0 HA CYS A 392 111.286 -7.212 -2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 392 113.517 -6.158 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 392 113.750 -6.237 -4.448 1.00 0.00 H new ATOM 278 N PHE A 393 112.357 -7.634 -6.095 1.00 0.00 N ATOM 279 CA PHE A 393 112.086 -7.689 -7.543 1.00 0.00 C ATOM 280 C PHE A 393 113.387 -7.382 -8.226 1.00 0.00 C ATOM 281 O PHE A 393 113.726 -6.212 -8.335 1.00 0.00 O ATOM 282 CB PHE A 393 111.049 -6.628 -8.080 1.00 0.00 C ATOM 283 CG PHE A 393 109.584 -7.006 -7.995 1.00 0.00 C ATOM 284 CD1 PHE A 393 109.099 -8.098 -8.699 1.00 0.00 C ATOM 285 CD2 PHE A 393 108.700 -6.277 -7.212 1.00 0.00 C ATOM 286 CE1 PHE A 393 107.767 -8.452 -8.624 1.00 0.00 C ATOM 287 CE2 PHE A 393 107.371 -6.631 -7.133 1.00 0.00 C ATOM 288 CZ PHE A 393 106.903 -7.719 -7.840 1.00 0.00 C ATOM 0 H PHE A 393 113.356 -7.679 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 393 111.663 -8.673 -7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 393 111.194 -5.700 -7.527 1.00 0.00 H new ATOM 0 HB3 PHE A 393 111.286 -6.418 -9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 393 109.772 -8.678 -9.313 1.00 0.00 H new ATOM 0 HD2 PHE A 393 109.058 -5.422 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 393 107.402 -9.303 -9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 393 106.695 -6.056 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 393 105.861 -7.996 -7.779 1.00 0.00 H new ATOM 298 N LEU A 394 114.184 -8.419 -8.568 1.00 0.00 N ATOM 299 CA LEU A 394 115.461 -8.224 -9.302 1.00 0.00 C ATOM 300 C LEU A 394 116.516 -7.647 -8.339 1.00 0.00 C ATOM 301 O LEU A 394 116.174 -7.192 -7.252 1.00 0.00 O ATOM 302 CB LEU A 394 115.305 -7.254 -10.533 1.00 0.00 C ATOM 303 CG LEU A 394 114.562 -7.721 -11.803 1.00 0.00 C ATOM 304 CD1 LEU A 394 113.086 -7.995 -11.551 1.00 0.00 C ATOM 305 CD2 LEU A 394 114.713 -6.662 -12.873 1.00 0.00 C ATOM 0 H LEU A 394 113.971 -9.393 -8.351 1.00 0.00 H new ATOM 0 HA LEU A 394 115.771 -9.197 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 394 114.800 -6.357 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 394 116.308 -6.955 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 394 115.007 -8.663 -12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 394 112.613 -8.320 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 394 112.984 -8.777 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 394 112.602 -7.085 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 394 114.192 -6.980 -13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 394 114.286 -5.724 -12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 394 115.770 -6.518 -13.096 1.00 0.00 H new ATOM 317 N PRO A 395 117.816 -7.677 -8.681 1.00 0.00 N ATOM 318 CA PRO A 395 118.857 -7.047 -7.849 1.00 0.00 C ATOM 319 C PRO A 395 118.778 -5.518 -7.858 1.00 0.00 C ATOM 320 O PRO A 395 119.753 -4.855 -8.142 1.00 0.00 O ATOM 321 CB PRO A 395 120.176 -7.492 -8.475 1.00 0.00 C ATOM 322 CG PRO A 395 119.848 -8.034 -9.830 1.00 0.00 C ATOM 323 CD PRO A 395 118.388 -8.392 -9.845 1.00 0.00 C ATOM 0 HA PRO A 395 118.744 -7.344 -6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 395 120.870 -6.655 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 395 120.659 -8.252 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 395 120.067 -7.294 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 395 120.458 -8.911 -10.048 1.00 0.00 H new ATOM 0 HD2 PRO A 395 117.913 -8.079 -10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 395 118.243 -9.469 -9.759 1.00 0.00 H new ATOM 331 N LYS A 396 117.617 -5.008 -7.458 1.00 0.00 N ATOM 332 CA LYS A 396 117.254 -3.581 -7.278 1.00 0.00 C ATOM 333 C LYS A 396 117.945 -2.498 -8.108 1.00 0.00 C ATOM 334 O LYS A 396 117.334 -1.898 -9.024 1.00 0.00 O ATOM 335 CB LYS A 396 116.975 -3.218 -5.828 1.00 0.00 C ATOM 336 CG LYS A 396 117.674 -4.057 -4.774 1.00 0.00 C ATOM 337 CD LYS A 396 119.084 -3.567 -4.402 1.00 0.00 C ATOM 338 CE LYS A 396 120.154 -4.283 -5.185 1.00 0.00 C ATOM 339 NZ LYS A 396 121.518 -4.019 -4.679 1.00 0.00 N ATOM 0 H LYS A 396 116.834 -5.620 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 396 116.305 -3.553 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 396 117.257 -2.176 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 396 115.900 -3.285 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 396 117.059 -4.073 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 396 117.743 -5.084 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 396 119.156 -2.495 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 396 119.251 -3.719 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 396 119.963 -5.356 -5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 396 120.096 -3.979 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 122.206 -4.158 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 121.577 -3.039 -4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 121.732 -4.673 -3.900 1.00 0.00 H new ATOM 353 N SER A 397 119.190 -2.296 -7.818 1.00 0.00 N ATOM 354 CA SER A 397 120.084 -1.390 -8.481 1.00 0.00 C ATOM 355 C SER A 397 120.481 -1.977 -9.844 1.00 0.00 C ATOM 356 O SER A 397 121.405 -1.505 -10.473 1.00 0.00 O ATOM 357 CB SER A 397 121.315 -1.206 -7.579 1.00 0.00 C ATOM 358 OG SER A 397 122.182 -0.194 -8.041 1.00 0.00 O ATOM 0 H SER A 397 119.646 -2.796 -7.055 1.00 0.00 H new ATOM 0 HA SER A 397 119.612 -0.423 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 397 120.987 -0.964 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 397 121.861 -2.148 -7.520 1.00 0.00 H new ATOM 0 HG SER A 397 122.342 -0.313 -9.000 1.00 0.00 H new ATOM 364 N ASP A 398 119.757 -3.022 -10.252 1.00 0.00 N ATOM 365 CA ASP A 398 119.872 -3.659 -11.565 1.00 0.00 C ATOM 366 C ASP A 398 119.954 -2.626 -12.703 1.00 0.00 C ATOM 367 O ASP A 398 121.029 -2.294 -13.175 1.00 0.00 O ATOM 368 CB ASP A 398 118.713 -4.710 -11.732 1.00 0.00 C ATOM 369 CG ASP A 398 118.303 -5.006 -13.166 1.00 0.00 C ATOM 370 OD1 ASP A 398 118.927 -5.861 -13.812 1.00 0.00 O ATOM 371 OD2 ASP A 398 117.330 -4.362 -13.660 1.00 0.00 O ATOM 0 H ASP A 398 119.053 -3.461 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 398 120.815 -4.202 -11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 398 119.021 -5.643 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 398 117.839 -4.351 -11.189 1.00 0.00 H new ATOM 376 N SER A 399 118.863 -2.123 -13.105 1.00 0.00 N ATOM 377 CA SER A 399 118.767 -1.094 -14.093 1.00 0.00 C ATOM 378 C SER A 399 117.444 -0.387 -13.887 1.00 0.00 C ATOM 379 O SER A 399 116.814 0.053 -14.842 1.00 0.00 O ATOM 380 CB SER A 399 118.858 -1.675 -15.531 1.00 0.00 C ATOM 381 OG SER A 399 120.108 -2.355 -15.736 1.00 0.00 O ATOM 0 H SER A 399 117.956 -2.421 -12.747 1.00 0.00 H new ATOM 0 HA SER A 399 119.598 -0.398 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 399 118.032 -2.366 -15.700 1.00 0.00 H new ATOM 0 HB3 SER A 399 118.754 -0.870 -16.259 1.00 0.00 H new ATOM 0 HG SER A 399 120.650 -2.296 -14.922 1.00 0.00 H new ATOM 387 N ALA A 400 117.058 -0.282 -12.589 1.00 0.00 N ATOM 388 CA ALA A 400 115.820 0.340 -12.125 1.00 0.00 C ATOM 389 C ALA A 400 114.658 -0.641 -12.159 1.00 0.00 C ATOM 390 O ALA A 400 113.958 -0.746 -13.164 1.00 0.00 O ATOM 391 CB ALA A 400 115.466 1.655 -12.850 1.00 0.00 C ATOM 0 H ALA A 400 117.627 -0.643 -11.824 1.00 0.00 H new ATOM 0 HA ALA A 400 116.007 0.619 -11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 400 114.534 2.053 -12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 400 116.265 2.380 -12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 400 115.348 1.462 -13.916 1.00 0.00 H new ATOM 397 N ARG A 401 114.541 -1.465 -11.119 1.00 0.00 N ATOM 398 CA ARG A 401 113.407 -2.388 -11.018 1.00 0.00 C ATOM 399 C ARG A 401 112.110 -1.664 -10.670 1.00 0.00 C ATOM 400 O ARG A 401 112.173 -0.481 -10.312 1.00 0.00 O ATOM 401 CB ARG A 401 113.717 -3.557 -10.052 1.00 0.00 C ATOM 402 CG ARG A 401 114.228 -3.232 -8.641 1.00 0.00 C ATOM 403 CD ARG A 401 113.158 -2.867 -7.564 1.00 0.00 C ATOM 404 NE ARG A 401 112.711 -1.453 -7.536 1.00 0.00 N ATOM 405 CZ ARG A 401 112.431 -0.706 -6.403 1.00 0.00 C ATOM 406 NH1 ARG A 401 112.413 -1.260 -5.188 1.00 0.00 N ATOM 407 NH2 ARG A 401 112.073 0.572 -6.529 1.00 0.00 N ATOM 0 H ARG A 401 115.204 -1.515 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 401 113.251 -2.827 -12.003 1.00 0.00 H new ATOM 0 HB2 ARG A 401 112.807 -4.148 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 401 114.458 -4.196 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 401 114.793 -4.091 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 401 114.928 -2.400 -8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 401 112.284 -3.499 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 401 113.560 -3.118 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 401 112.599 -0.986 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 401 112.608 -2.255 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 401 112.204 -0.688 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 401 112.007 0.994 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 401 111.865 1.128 -5.699 1.00 0.00 H new ATOM 421 N PRO A 402 110.922 -2.360 -10.834 1.00 0.00 N ATOM 422 CA PRO A 402 109.567 -1.885 -10.462 1.00 0.00 C ATOM 423 C PRO A 402 109.509 -0.890 -9.275 1.00 0.00 C ATOM 424 O PRO A 402 110.364 -0.867 -8.451 1.00 0.00 O ATOM 425 CB PRO A 402 108.877 -3.197 -10.073 1.00 0.00 C ATOM 426 CG PRO A 402 109.507 -4.249 -10.931 1.00 0.00 C ATOM 427 CD PRO A 402 110.789 -3.676 -11.493 1.00 0.00 C ATOM 0 HA PRO A 402 109.116 -1.319 -11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 402 109.019 -3.417 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 402 107.802 -3.141 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 402 109.713 -5.146 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 402 108.833 -4.540 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 402 111.642 -4.319 -11.273 1.00 0.00 H new ATOM 0 HD3 PRO A 402 110.737 -3.574 -12.577 1.00 0.00 H new ATOM 435 N PRO A 403 108.452 -0.102 -9.167 1.00 0.00 N ATOM 436 CA PRO A 403 108.347 0.935 -8.137 1.00 0.00 C ATOM 437 C PRO A 403 108.112 0.377 -6.727 1.00 0.00 C ATOM 438 O PRO A 403 107.804 -0.805 -6.534 1.00 0.00 O ATOM 439 CB PRO A 403 107.141 1.728 -8.574 1.00 0.00 C ATOM 440 CG PRO A 403 106.295 0.725 -9.287 1.00 0.00 C ATOM 441 CD PRO A 403 107.251 -0.179 -9.992 1.00 0.00 C ATOM 0 HA PRO A 403 109.271 1.507 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 403 106.616 2.161 -7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 403 107.421 2.553 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 403 105.673 0.168 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 403 105.622 1.211 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 403 106.870 -1.198 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 403 107.441 0.153 -11.013 1.00 0.00 H new ATOM 449 N ASP A 404 108.199 1.249 -5.766 1.00 0.00 N ATOM 450 CA ASP A 404 108.062 0.916 -4.334 1.00 0.00 C ATOM 451 C ASP A 404 106.636 1.101 -3.764 1.00 0.00 C ATOM 452 O ASP A 404 106.453 1.655 -2.677 1.00 0.00 O ATOM 453 CB ASP A 404 109.018 1.768 -3.541 1.00 0.00 C ATOM 454 CG ASP A 404 110.484 1.456 -3.854 1.00 0.00 C ATOM 455 OD1 ASP A 404 111.016 0.404 -3.415 1.00 0.00 O ATOM 456 OD2 ASP A 404 111.108 2.242 -4.618 1.00 0.00 O ATOM 0 H ASP A 404 108.371 2.240 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 404 108.289 -0.147 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 404 108.821 2.819 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 404 108.837 1.616 -2.477 1.00 0.00 H new ATOM 461 N CYS A 405 105.655 0.702 -4.526 1.00 0.00 N ATOM 462 CA CYS A 405 104.235 0.589 -4.058 1.00 0.00 C ATOM 463 C CYS A 405 103.558 1.856 -3.627 1.00 0.00 C ATOM 464 O CYS A 405 102.768 2.375 -4.372 1.00 0.00 O ATOM 465 CB CYS A 405 104.066 -0.447 -3.007 1.00 0.00 C ATOM 466 SG CYS A 405 103.868 -2.129 -3.664 1.00 0.00 S ATOM 0 H CYS A 405 105.784 0.436 -5.502 1.00 0.00 H new ATOM 0 HA CYS A 405 103.723 0.291 -4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 405 104.932 -0.425 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 405 103.195 -0.198 -2.401 1.00 0.00 H new ATOM 471 N THR A 406 103.757 2.305 -2.379 1.00 0.00 N ATOM 472 CA THR A 406 103.280 3.634 -1.931 1.00 0.00 C ATOM 473 C THR A 406 103.712 4.670 -2.974 1.00 0.00 C ATOM 474 O THR A 406 102.999 5.600 -3.302 1.00 0.00 O ATOM 475 CB THR A 406 103.941 3.975 -0.563 1.00 0.00 C ATOM 476 OG1 THR A 406 103.383 3.216 0.508 1.00 0.00 O ATOM 477 CG2 THR A 406 103.921 5.455 -0.281 1.00 0.00 C ATOM 0 H THR A 406 104.244 1.772 -1.658 1.00 0.00 H new ATOM 0 HA THR A 406 102.196 3.636 -1.821 1.00 0.00 H new ATOM 0 HB THR A 406 104.988 3.683 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 406 103.884 2.380 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 406 104.392 5.648 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 406 104.467 5.982 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 406 102.890 5.807 -0.258 1.00 0.00 H new ATOM 485 N ALA A 407 104.884 4.426 -3.459 1.00 0.00 N ATOM 486 CA ALA A 407 105.507 5.097 -4.570 1.00 0.00 C ATOM 487 C ALA A 407 104.528 5.247 -5.816 1.00 0.00 C ATOM 488 O ALA A 407 104.725 6.121 -6.648 1.00 0.00 O ATOM 489 CB ALA A 407 106.721 4.266 -4.876 1.00 0.00 C ATOM 0 H ALA A 407 105.482 3.700 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 407 105.774 6.126 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 407 107.261 4.705 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 407 107.371 4.236 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 407 106.413 3.253 -5.133 1.00 0.00 H new ATOM 495 N VAL A 408 103.489 4.392 -5.914 1.00 0.00 N ATOM 496 CA VAL A 408 102.463 4.497 -6.958 1.00 0.00 C ATOM 497 C VAL A 408 101.074 4.719 -6.306 1.00 0.00 C ATOM 498 O VAL A 408 100.102 5.058 -6.982 1.00 0.00 O ATOM 499 CB VAL A 408 102.401 3.207 -7.863 1.00 0.00 C ATOM 500 CG1 VAL A 408 103.781 2.749 -8.252 1.00 0.00 C ATOM 501 CG2 VAL A 408 101.623 2.054 -7.219 1.00 0.00 C ATOM 0 H VAL A 408 103.343 3.614 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 408 102.731 5.343 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 408 101.854 3.498 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 408 103.706 1.858 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 408 104.284 3.540 -8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 408 104.354 2.517 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 408 101.618 1.197 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 408 102.099 1.774 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 408 100.598 2.370 -7.026 1.00 0.00 H new ATOM 511 N GLY A 409 101.000 4.522 -4.985 1.00 0.00 N ATOM 512 CA GLY A 409 99.757 4.647 -4.303 1.00 0.00 C ATOM 513 C GLY A 409 99.304 3.414 -3.534 1.00 0.00 C ATOM 514 O GLY A 409 98.121 3.269 -3.271 1.00 0.00 O ATOM 0 H GLY A 409 101.793 4.278 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 409 99.827 5.483 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 409 98.987 4.903 -5.031 1.00 0.00 H new ATOM 518 N ARG A 410 100.197 2.467 -3.293 1.00 0.00 N ATOM 519 CA ARG A 410 99.933 1.310 -2.422 1.00 0.00 C ATOM 520 C ARG A 410 100.513 1.531 -1.044 1.00 0.00 C ATOM 521 O ARG A 410 101.576 0.973 -0.738 1.00 0.00 O ATOM 522 CB ARG A 410 100.582 0.040 -2.977 1.00 0.00 C ATOM 523 CG ARG A 410 99.798 -0.674 -4.043 1.00 0.00 C ATOM 524 CD ARG A 410 98.259 -0.629 -3.793 1.00 0.00 C ATOM 525 NE ARG A 410 97.596 0.657 -4.083 1.00 0.00 N ATOM 526 CZ ARG A 410 96.334 0.797 -4.527 1.00 0.00 C ATOM 527 NH1 ARG A 410 95.671 -0.244 -5.039 1.00 0.00 N ATOM 528 NH2 ARG A 410 95.768 2.007 -4.512 1.00 0.00 N ATOM 0 H ARG A 410 101.135 2.471 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 410 98.850 1.198 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 410 101.560 0.300 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 410 100.752 -0.651 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 410 100.018 -0.225 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 410 100.123 -1.713 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 410 97.789 -1.403 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 410 98.072 -0.885 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 410 98.138 1.508 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 410 96.122 -1.157 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 410 94.714 -0.125 -5.372 1.00 0.00 H new ATOM 0 HH21 ARG A 410 96.292 2.811 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 410 94.812 2.127 -4.846 1.00 0.00 H new ATOM 542 N PRO A 411 99.866 2.332 -0.164 1.00 0.00 N ATOM 543 CA PRO A 411 100.407 2.611 1.166 1.00 0.00 C ATOM 544 C PRO A 411 100.304 1.381 2.039 1.00 0.00 C ATOM 545 O PRO A 411 100.935 1.275 3.074 1.00 0.00 O ATOM 546 CB PRO A 411 99.491 3.711 1.701 1.00 0.00 C ATOM 547 CG PRO A 411 98.206 3.491 1.000 1.00 0.00 C ATOM 548 CD PRO A 411 98.570 3.027 -0.365 1.00 0.00 C ATOM 0 HA PRO A 411 101.458 2.899 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 411 99.372 3.638 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 411 99.894 4.702 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 411 97.599 2.748 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 411 97.620 4.409 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 411 97.815 2.356 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 411 98.666 3.861 -1.060 1.00 0.00 H new ATOM 556 N ASP A 412 99.557 0.427 1.551 1.00 0.00 N ATOM 557 CA ASP A 412 99.298 -0.812 2.276 1.00 0.00 C ATOM 558 C ASP A 412 100.540 -1.680 2.183 1.00 0.00 C ATOM 559 O ASP A 412 100.924 -2.402 3.107 1.00 0.00 O ATOM 560 CB ASP A 412 98.089 -1.493 1.647 1.00 0.00 C ATOM 561 CG ASP A 412 97.564 -2.665 2.407 1.00 0.00 C ATOM 562 OD1 ASP A 412 97.865 -2.805 3.604 1.00 0.00 O ATOM 563 OD2 ASP A 412 96.759 -3.413 1.840 1.00 0.00 O ATOM 0 H ASP A 412 99.105 0.476 0.638 1.00 0.00 H new ATOM 0 HA ASP A 412 99.079 -0.629 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 412 97.290 -0.759 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 412 98.356 -1.820 0.642 1.00 0.00 H new ATOM 568 N CYS A 413 101.234 -1.493 1.108 1.00 0.00 N ATOM 569 CA CYS A 413 102.425 -2.233 0.872 1.00 0.00 C ATOM 570 C CYS A 413 103.591 -1.582 1.540 1.00 0.00 C ATOM 571 O CYS A 413 104.643 -2.136 1.555 1.00 0.00 O ATOM 572 CB CYS A 413 102.673 -2.418 -0.577 1.00 0.00 C ATOM 573 SG CYS A 413 101.358 -3.299 -1.417 1.00 0.00 S ATOM 0 H CYS A 413 100.992 -0.827 0.374 1.00 0.00 H new ATOM 0 HA CYS A 413 102.293 -3.224 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 413 102.802 -1.441 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 413 103.608 -2.961 -0.712 1.00 0.00 H new ATOM 578 N ASN A 414 103.406 -0.320 2.021 1.00 0.00 N ATOM 579 CA ASN A 414 104.404 0.308 2.930 1.00 0.00 C ATOM 580 C ASN A 414 104.947 -0.691 4.000 1.00 0.00 C ATOM 581 O ASN A 414 106.085 -0.564 4.506 1.00 0.00 O ATOM 582 CB ASN A 414 103.849 1.592 3.583 1.00 0.00 C ATOM 583 CG ASN A 414 104.784 2.224 4.618 1.00 0.00 C ATOM 584 OD1 ASN A 414 105.654 3.028 4.277 1.00 0.00 O ATOM 585 ND2 ASN A 414 104.574 1.925 5.880 1.00 0.00 N ATOM 0 H ASN A 414 102.600 0.266 1.802 1.00 0.00 H new ATOM 0 HA ASN A 414 105.254 0.594 2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 414 103.642 2.324 2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 414 102.898 1.361 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 414 105.138 2.362 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 414 103.846 1.256 6.131 1.00 0.00 H new ATOM 592 N VAL A 415 104.169 -1.706 4.313 1.00 0.00 N ATOM 593 CA VAL A 415 104.650 -2.690 5.195 1.00 0.00 C ATOM 594 C VAL A 415 105.656 -3.627 4.530 1.00 0.00 C ATOM 595 O VAL A 415 105.344 -4.338 3.573 1.00 0.00 O ATOM 596 CB VAL A 415 103.582 -3.474 5.904 1.00 0.00 C ATOM 597 CG1 VAL A 415 104.246 -4.623 6.617 1.00 0.00 C ATOM 598 CG2 VAL A 415 102.887 -2.585 6.897 1.00 0.00 C ATOM 0 H VAL A 415 103.221 -1.850 3.965 1.00 0.00 H new ATOM 0 HA VAL A 415 105.166 -2.120 5.968 1.00 0.00 H new ATOM 0 HB VAL A 415 102.844 -3.849 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 415 103.492 -5.210 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 415 104.758 -5.255 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 415 104.969 -4.236 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 415 102.112 -3.152 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 415 103.611 -2.216 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 415 102.434 -1.742 6.376 1.00 0.00 H new ATOM 608 N LEU A 416 106.848 -3.549 5.061 1.00 0.00 N ATOM 609 CA LEU A 416 108.015 -4.369 4.688 1.00 0.00 C ATOM 610 C LEU A 416 107.681 -5.889 4.397 1.00 0.00 C ATOM 611 O LEU A 416 107.921 -6.341 3.256 1.00 0.00 O ATOM 612 CB LEU A 416 109.116 -4.198 5.755 1.00 0.00 C ATOM 613 CG LEU A 416 110.576 -4.560 5.353 1.00 0.00 C ATOM 614 CD1 LEU A 416 110.781 -6.056 5.177 1.00 0.00 C ATOM 615 CD2 LEU A 416 110.960 -3.843 4.080 1.00 0.00 C ATOM 0 H LEU A 416 107.062 -2.884 5.804 1.00 0.00 H new ATOM 0 HA LEU A 416 108.379 -4.000 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 416 109.106 -3.159 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 416 108.845 -4.807 6.617 1.00 0.00 H new ATOM 0 HG LEU A 416 111.218 -4.236 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 416 111.816 -6.251 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 416 110.556 -6.567 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 416 110.118 -6.425 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 416 111.983 -4.104 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 416 110.285 -4.140 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 416 110.889 -2.766 4.233 1.00 0.00 H new ATOM 627 N PRO A 417 107.217 -6.733 5.410 1.00 0.00 N ATOM 628 CA PRO A 417 106.787 -8.103 5.119 1.00 0.00 C ATOM 629 C PRO A 417 105.728 -8.066 4.037 1.00 0.00 C ATOM 630 O PRO A 417 104.717 -7.375 4.193 1.00 0.00 O ATOM 631 CB PRO A 417 106.179 -8.610 6.436 1.00 0.00 C ATOM 632 CG PRO A 417 106.111 -7.432 7.341 1.00 0.00 C ATOM 633 CD PRO A 417 107.127 -6.447 6.850 1.00 0.00 C ATOM 0 HA PRO A 417 107.600 -8.742 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 417 105.188 -9.032 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 417 106.793 -9.399 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 417 105.113 -6.994 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 417 106.321 -7.723 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 417 106.813 -5.420 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 417 108.088 -6.581 7.346 1.00 0.00 H new ATOM 641 N PHE A 418 105.921 -8.827 2.982 1.00 0.00 N ATOM 642 CA PHE A 418 105.094 -8.677 1.821 1.00 0.00 C ATOM 643 C PHE A 418 103.764 -9.365 2.003 1.00 0.00 C ATOM 644 O PHE A 418 103.714 -10.587 2.189 1.00 0.00 O ATOM 645 CB PHE A 418 105.774 -9.258 0.591 1.00 0.00 C ATOM 646 CG PHE A 418 105.580 -8.397 -0.611 1.00 0.00 C ATOM 647 CD1 PHE A 418 105.991 -7.076 -0.600 1.00 0.00 C ATOM 648 CD2 PHE A 418 104.980 -8.892 -1.736 1.00 0.00 C ATOM 649 CE1 PHE A 418 105.789 -6.277 -1.700 1.00 0.00 C ATOM 650 CE2 PHE A 418 104.781 -8.104 -2.837 1.00 0.00 C ATOM 651 CZ PHE A 418 105.184 -6.798 -2.817 1.00 0.00 C ATOM 0 H PHE A 418 106.639 -9.548 2.911 1.00 0.00 H new ATOM 0 HA PHE A 418 104.933 -7.608 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 418 106.840 -9.374 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 418 105.376 -10.253 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 418 106.473 -6.671 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 418 104.658 -9.923 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 418 106.105 -5.244 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 418 104.308 -8.512 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 418 105.026 -6.173 -3.684 1.00 0.00 H new ATOM 661 N PRO A 419 102.659 -8.605 1.996 1.00 0.00 N ATOM 662 CA PRO A 419 101.347 -9.191 2.085 1.00 0.00 C ATOM 663 C PRO A 419 101.014 -9.941 0.821 1.00 0.00 C ATOM 664 O PRO A 419 100.550 -11.066 0.879 1.00 0.00 O ATOM 665 CB PRO A 419 100.393 -8.016 2.233 1.00 0.00 C ATOM 666 CG PRO A 419 101.233 -6.796 2.450 1.00 0.00 C ATOM 667 CD PRO A 419 102.614 -7.121 1.951 1.00 0.00 C ATOM 0 HA PRO A 419 101.282 -9.895 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 419 99.776 -7.906 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.716 -8.172 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 419 100.820 -5.942 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 419 101.257 -6.527 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 419 102.774 -6.745 0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 419 103.384 -6.677 2.582 1.00 0.00 H new ATOM 675 N ASN A 420 101.207 -9.256 -0.339 1.00 0.00 N ATOM 676 CA ASN A 420 100.952 -9.792 -1.702 1.00 0.00 C ATOM 677 C ASN A 420 99.601 -10.408 -1.842 1.00 0.00 C ATOM 678 O ASN A 420 99.343 -11.212 -2.719 1.00 0.00 O ATOM 679 CB ASN A 420 102.126 -10.646 -2.350 1.00 0.00 C ATOM 680 CG ASN A 420 102.905 -11.706 -1.505 1.00 0.00 C ATOM 681 OD1 ASN A 420 104.107 -11.870 -1.703 1.00 0.00 O ATOM 682 ND2 ASN A 420 102.284 -12.477 -0.668 1.00 0.00 N ATOM 0 H ASN A 420 101.551 -8.296 -0.351 1.00 0.00 H new ATOM 0 HA ASN A 420 100.946 -8.901 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 420 101.706 -11.168 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 420 102.862 -9.939 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 420 102.793 -13.214 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 420 101.287 -12.347 -0.498 1.00 0.00 H new ATOM 689 N ASN A 421 98.719 -9.958 -0.985 1.00 0.00 N ATOM 690 CA ASN A 421 97.395 -10.478 -0.891 1.00 0.00 C ATOM 691 C ASN A 421 96.351 -9.426 -0.491 1.00 0.00 C ATOM 692 O ASN A 421 95.248 -9.779 -0.085 1.00 0.00 O ATOM 693 CB ASN A 421 97.364 -11.614 0.123 1.00 0.00 C ATOM 694 CG ASN A 421 97.251 -13.012 -0.484 1.00 0.00 C ATOM 695 OD1 ASN A 421 96.633 -13.904 0.092 1.00 0.00 O ATOM 696 ND2 ASN A 421 97.849 -13.233 -1.628 1.00 0.00 N ATOM 0 H ASN A 421 98.914 -9.206 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 421 97.130 -10.830 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 421 98.270 -11.568 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 421 96.522 -11.457 0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 421 97.806 -14.158 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 421 98.357 -12.480 -2.092 1.00 0.00 H new ATOM 703 N ILE A 422 96.666 -8.154 -0.648 1.00 0.00 N ATOM 704 CA ILE A 422 95.754 -7.058 -0.246 1.00 0.00 C ATOM 705 C ILE A 422 95.864 -5.836 -1.179 1.00 0.00 C ATOM 706 O ILE A 422 94.880 -5.446 -1.816 1.00 0.00 O ATOM 707 CB ILE A 422 95.972 -6.608 1.236 1.00 0.00 C ATOM 708 CG1 ILE A 422 97.455 -6.515 1.532 1.00 0.00 C ATOM 709 CG2 ILE A 422 95.257 -7.512 2.248 1.00 0.00 C ATOM 710 CD1 ILE A 422 97.777 -6.206 2.955 1.00 0.00 C ATOM 0 H ILE A 422 97.547 -7.836 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 422 94.749 -7.472 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 422 95.521 -5.622 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 422 97.928 -7.459 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 422 97.893 -5.745 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 422 95.446 -7.148 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 422 94.185 -7.500 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 422 95.631 -8.531 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 422 98.859 -6.157 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 422 97.336 -5.247 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 422 97.372 -6.987 3.598 1.00 0.00 H new ATOM 722 N GLY A 423 97.057 -5.277 -1.294 1.00 0.00 N ATOM 723 CA GLY A 423 97.237 -4.053 -2.062 1.00 0.00 C ATOM 724 C GLY A 423 98.114 -4.226 -3.280 1.00 0.00 C ATOM 725 O GLY A 423 97.627 -4.090 -4.378 1.00 0.00 O ATOM 0 H GLY A 423 97.909 -5.645 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 423 96.261 -3.685 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 423 97.672 -3.290 -1.417 1.00 0.00 H new ATOM 729 N CYS A 424 99.410 -4.456 -3.078 1.00 0.00 N ATOM 730 CA CYS A 424 100.465 -4.661 -4.111 1.00 0.00 C ATOM 731 C CYS A 424 99.983 -5.240 -5.441 1.00 0.00 C ATOM 732 O CYS A 424 99.600 -6.399 -5.497 1.00 0.00 O ATOM 733 CB CYS A 424 101.542 -5.583 -3.521 1.00 0.00 C ATOM 734 SG CYS A 424 102.152 -5.124 -1.839 1.00 0.00 S ATOM 0 H CYS A 424 99.792 -4.511 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 424 100.844 -3.669 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 424 101.144 -6.597 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 424 102.392 -5.602 -4.203 1.00 0.00 H new ATOM 739 N PRO A 425 99.998 -4.429 -6.526 1.00 0.00 N ATOM 740 CA PRO A 425 99.636 -4.887 -7.850 1.00 0.00 C ATOM 741 C PRO A 425 100.812 -5.518 -8.585 1.00 0.00 C ATOM 742 O PRO A 425 100.591 -6.281 -9.496 1.00 0.00 O ATOM 743 CB PRO A 425 99.213 -3.603 -8.587 1.00 0.00 C ATOM 744 CG PRO A 425 99.422 -2.478 -7.626 1.00 0.00 C ATOM 745 CD PRO A 425 100.278 -2.996 -6.531 1.00 0.00 C ATOM 0 HA PRO A 425 98.860 -5.651 -7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 425 99.808 -3.459 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 425 98.170 -3.659 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 425 99.899 -1.632 -8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 425 98.469 -2.123 -7.235 1.00 0.00 H new ATOM 0 HD2 PRO A 425 101.333 -2.794 -6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 425 100.029 -2.535 -5.575 1.00 0.00 H new ATOM 753 N SER A 426 102.055 -5.239 -8.097 1.00 0.00 N ATOM 754 CA SER A 426 103.365 -5.624 -8.724 1.00 0.00 C ATOM 755 C SER A 426 104.541 -4.728 -8.243 1.00 0.00 C ATOM 756 O SER A 426 105.585 -4.680 -8.901 1.00 0.00 O ATOM 757 CB SER A 426 103.356 -5.604 -10.286 1.00 0.00 C ATOM 758 OG SER A 426 102.680 -6.733 -10.840 1.00 0.00 O ATOM 0 H SER A 426 102.182 -4.722 -7.227 1.00 0.00 H new ATOM 0 HA SER A 426 103.512 -6.652 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 426 102.875 -4.689 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 426 104.382 -5.582 -10.652 1.00 0.00 H new ATOM 0 HG SER A 426 101.712 -6.611 -10.750 1.00 0.00 H new ATOM 764 N CYS A 427 104.399 -4.017 -7.135 1.00 0.00 N ATOM 765 CA CYS A 427 105.497 -3.191 -6.663 1.00 0.00 C ATOM 766 C CYS A 427 106.165 -3.766 -5.375 1.00 0.00 C ATOM 767 O CYS A 427 105.722 -4.789 -4.880 1.00 0.00 O ATOM 768 CB CYS A 427 104.940 -1.817 -6.453 1.00 0.00 C ATOM 769 SG CYS A 427 103.342 -1.816 -5.583 1.00 0.00 S ATOM 0 H CYS A 427 103.557 -3.994 -6.559 1.00 0.00 H new ATOM 0 HA CYS A 427 106.301 -3.169 -7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 427 105.656 -1.225 -5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 427 104.820 -1.329 -7.420 1.00 0.00 H new ATOM 774 N CYS A 428 107.226 -3.099 -4.860 1.00 0.00 N ATOM 775 CA CYS A 428 107.945 -3.521 -3.615 1.00 0.00 C ATOM 776 C CYS A 428 107.412 -2.719 -2.410 1.00 0.00 C ATOM 777 O CYS A 428 106.741 -1.728 -2.624 1.00 0.00 O ATOM 778 CB CYS A 428 109.469 -3.290 -3.750 1.00 0.00 C ATOM 779 SG CYS A 428 110.405 -4.568 -4.651 1.00 0.00 S ATOM 0 H CYS A 428 107.612 -2.257 -5.287 1.00 0.00 H new ATOM 0 HA CYS A 428 107.766 -4.585 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 428 109.627 -2.334 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 428 109.891 -3.199 -2.749 1.00 0.00 H new ATOM 784 N PRO A 429 107.692 -3.127 -1.116 1.00 0.00 N ATOM 785 CA PRO A 429 107.168 -2.410 0.054 1.00 0.00 C ATOM 786 C PRO A 429 107.875 -1.051 0.352 1.00 0.00 C ATOM 787 O PRO A 429 107.931 -0.181 -0.510 1.00 0.00 O ATOM 788 CB PRO A 429 107.344 -3.427 1.187 1.00 0.00 C ATOM 789 CG PRO A 429 108.504 -4.246 0.797 1.00 0.00 C ATOM 790 CD PRO A 429 108.498 -4.307 -0.698 1.00 0.00 C ATOM 0 HA PRO A 429 106.135 -2.096 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 429 107.518 -2.928 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 429 106.451 -4.041 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 429 109.431 -3.805 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 429 108.435 -5.246 1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 429 109.510 -4.260 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 429 108.055 -5.237 -1.056 1.00 0.00 H new ATOM 798 N PHE A 430 108.437 -0.884 1.565 1.00 0.00 N ATOM 799 CA PHE A 430 108.992 0.400 1.990 1.00 0.00 C ATOM 800 C PHE A 430 109.750 0.200 3.296 1.00 0.00 C ATOM 801 O PHE A 430 109.840 -0.932 3.793 1.00 0.00 O ATOM 802 CB PHE A 430 107.852 1.399 2.225 1.00 0.00 C ATOM 803 CG PHE A 430 108.035 2.759 1.595 1.00 0.00 C ATOM 804 CD1 PHE A 430 107.859 2.928 0.230 1.00 0.00 C ATOM 805 CD2 PHE A 430 108.362 3.866 2.363 1.00 0.00 C ATOM 806 CE1 PHE A 430 108.009 4.168 -0.357 1.00 0.00 C ATOM 807 CE2 PHE A 430 108.508 5.111 1.780 1.00 0.00 C ATOM 808 CZ PHE A 430 108.332 5.261 0.419 1.00 0.00 C ATOM 0 H PHE A 430 108.515 -1.625 2.261 1.00 0.00 H new ATOM 0 HA PHE A 430 109.661 0.783 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 430 106.928 0.964 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 430 107.724 1.531 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 430 107.601 2.077 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 430 108.504 3.755 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 430 107.874 4.282 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 430 108.760 5.966 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 430 108.447 6.233 -0.037 1.00 0.00 H new ATOM 818 N GLU A 431 110.282 1.291 3.839 1.00 0.00 N ATOM 819 CA GLU A 431 111.021 1.291 5.101 1.00 0.00 C ATOM 820 C GLU A 431 112.299 0.473 5.013 1.00 0.00 C ATOM 821 O GLU A 431 113.324 0.978 4.549 1.00 0.00 O ATOM 822 CB GLU A 431 110.144 0.862 6.290 1.00 0.00 C ATOM 823 CG GLU A 431 109.112 1.898 6.688 1.00 0.00 C ATOM 824 CD GLU A 431 109.762 3.205 7.055 1.00 0.00 C ATOM 825 OE1 GLU A 431 110.327 3.303 8.155 1.00 0.00 O ATOM 826 OE2 GLU A 431 109.737 4.155 6.237 1.00 0.00 O ATOM 0 H GLU A 431 110.212 2.214 3.410 1.00 0.00 H new ATOM 0 HA GLU A 431 111.317 2.323 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 431 109.634 -0.068 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 431 110.785 0.652 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 431 108.415 2.055 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 431 108.530 1.529 7.533 1.00 0.00 H new ATOM 833 N CYS A 432 112.222 -0.784 5.435 1.00 0.00 N ATOM 834 CA CYS A 432 113.323 -1.754 5.368 1.00 0.00 C ATOM 835 C CYS A 432 114.453 -1.489 6.360 1.00 0.00 C ATOM 836 O CYS A 432 114.776 -2.351 7.198 1.00 0.00 O ATOM 837 CB CYS A 432 113.873 -1.880 3.945 1.00 0.00 C ATOM 838 SG CYS A 432 115.249 -3.033 3.803 1.00 0.00 S ATOM 0 H CYS A 432 111.373 -1.173 5.845 1.00 0.00 H new ATOM 0 HA CYS A 432 112.880 -2.705 5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 432 113.070 -2.202 3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 432 114.196 -0.897 3.601 1.00 0.00 H new ATOM 843 N SER A 433 114.994 -0.312 6.310 1.00 0.00 N ATOM 844 CA SER A 433 116.142 0.068 7.063 1.00 0.00 C ATOM 845 C SER A 433 115.984 1.550 7.378 1.00 0.00 C ATOM 846 O SER A 433 115.032 2.161 6.871 1.00 0.00 O ATOM 847 CB SER A 433 117.407 -0.200 6.218 1.00 0.00 C ATOM 848 OG SER A 433 117.576 -1.598 5.936 1.00 0.00 O ATOM 0 H SER A 433 114.632 0.437 5.720 1.00 0.00 H new ATOM 0 HA SER A 433 116.239 -0.499 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 433 117.342 0.354 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 433 118.284 0.172 6.748 1.00 0.00 H new ATOM 0 HG SER A 433 117.853 -1.712 5.003 1.00 0.00 H new ATOM 854 N PRO A 434 116.827 2.145 8.254 1.00 0.00 N ATOM 855 CA PRO A 434 116.767 3.578 8.532 1.00 0.00 C ATOM 856 C PRO A 434 116.881 4.405 7.269 1.00 0.00 C ATOM 857 O PRO A 434 117.942 4.409 6.616 1.00 0.00 O ATOM 858 CB PRO A 434 117.988 3.838 9.400 1.00 0.00 C ATOM 859 CG PRO A 434 118.265 2.540 10.066 1.00 0.00 C ATOM 860 CD PRO A 434 117.864 1.475 9.080 1.00 0.00 C ATOM 0 HA PRO A 434 115.820 3.849 8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 434 118.838 4.164 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 434 117.794 4.624 10.130 1.00 0.00 H new ATOM 0 HG2 PRO A 434 119.320 2.453 10.328 1.00 0.00 H new ATOM 0 HG3 PRO A 434 117.698 2.448 10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 434 118.710 1.148 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 434 117.470 0.591 9.581 1.00 0.00 H new ATOM 868 N ASP A 435 115.775 5.041 6.912 1.00 0.00 N ATOM 869 CA ASP A 435 115.692 5.971 5.759 1.00 0.00 C ATOM 870 C ASP A 435 115.829 5.223 4.440 1.00 0.00 C ATOM 871 O ASP A 435 116.934 4.927 3.966 1.00 0.00 O ATOM 872 CB ASP A 435 116.744 7.067 5.901 1.00 0.00 C ATOM 873 CG ASP A 435 116.631 8.163 4.870 1.00 0.00 C ATOM 874 OD1 ASP A 435 115.572 8.822 4.797 1.00 0.00 O ATOM 875 OD2 ASP A 435 117.634 8.440 4.161 1.00 0.00 O ATOM 0 H ASP A 435 114.891 4.935 7.410 1.00 0.00 H new ATOM 0 HA ASP A 435 114.709 6.442 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 435 116.663 7.507 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 435 117.734 6.617 5.831 1.00 0.00 H new ATOM 880 N ASN A 436 114.692 4.892 3.876 1.00 0.00 N ATOM 881 CA ASN A 436 114.605 4.096 2.648 1.00 0.00 C ATOM 882 C ASN A 436 115.073 4.785 1.309 1.00 0.00 C ATOM 883 O ASN A 436 115.337 4.049 0.363 1.00 0.00 O ATOM 884 CB ASN A 436 113.189 3.512 2.462 1.00 0.00 C ATOM 885 CG ASN A 436 112.161 4.532 1.985 1.00 0.00 C ATOM 886 OD1 ASN A 436 111.556 5.242 2.786 1.00 0.00 O ATOM 887 ND2 ASN A 436 111.928 4.583 0.687 1.00 0.00 N ATOM 0 H ASN A 436 113.784 5.165 4.251 1.00 0.00 H new ATOM 0 HA ASN A 436 115.340 3.309 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 436 113.235 2.693 1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 436 112.854 3.087 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 436 111.227 5.226 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 436 112.449 3.979 0.051 1.00 0.00 H new ATOM 894 N PRO A 437 115.092 6.180 1.150 1.00 0.00 N ATOM 895 CA PRO A 437 115.558 6.839 -0.091 1.00 0.00 C ATOM 896 C PRO A 437 116.825 6.242 -0.701 1.00 0.00 C ATOM 897 O PRO A 437 117.904 6.233 -0.091 1.00 0.00 O ATOM 898 CB PRO A 437 115.802 8.265 0.345 1.00 0.00 C ATOM 899 CG PRO A 437 114.734 8.496 1.325 1.00 0.00 C ATOM 900 CD PRO A 437 114.603 7.207 2.096 1.00 0.00 C ATOM 0 HA PRO A 437 114.820 6.721 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 437 116.790 8.388 0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 437 115.739 8.960 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 437 114.983 9.325 1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 437 113.797 8.753 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 437 115.197 7.225 3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 437 113.570 7.020 2.391 1.00 0.00 H new ATOM 908 N MET A 438 116.659 5.761 -1.901 1.00 0.00 N ATOM 909 CA MET A 438 117.703 5.156 -2.663 1.00 0.00 C ATOM 910 C MET A 438 117.305 5.134 -4.113 1.00 0.00 C ATOM 911 O MET A 438 116.154 4.840 -4.439 1.00 0.00 O ATOM 912 CB MET A 438 118.013 3.726 -2.166 1.00 0.00 C ATOM 913 CG MET A 438 119.106 3.014 -2.960 1.00 0.00 C ATOM 914 SD MET A 438 120.672 3.917 -2.960 1.00 0.00 S ATOM 915 CE MET A 438 121.675 2.862 -4.008 1.00 0.00 C ATOM 0 H MET A 438 115.762 5.782 -2.387 1.00 0.00 H new ATOM 0 HA MET A 438 118.612 5.745 -2.539 1.00 0.00 H new ATOM 0 HB2 MET A 438 118.312 3.773 -1.119 1.00 0.00 H new ATOM 0 HB3 MET A 438 117.100 3.131 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 438 119.265 2.020 -2.541 1.00 0.00 H new ATOM 0 HG3 MET A 438 118.771 2.876 -3.988 1.00 0.00 H new ATOM 0 HE1 MET A 438 122.674 3.288 -4.104 1.00 0.00 H new ATOM 0 HE2 MET A 438 121.745 1.869 -3.564 1.00 0.00 H new ATOM 0 HE3 MET A 438 121.216 2.787 -4.994 1.00 0.00 H new ATOM 925 N PHE A 439 118.235 5.476 -4.960 1.00 0.00 N ATOM 926 CA PHE A 439 118.059 5.448 -6.373 1.00 0.00 C ATOM 927 C PHE A 439 119.467 5.382 -6.957 1.00 0.00 C ATOM 928 O PHE A 439 120.418 5.223 -6.186 1.00 0.00 O ATOM 929 CB PHE A 439 117.271 6.686 -6.863 1.00 0.00 C ATOM 930 CG PHE A 439 116.567 6.475 -8.189 1.00 0.00 C ATOM 931 CD1 PHE A 439 115.383 5.755 -8.241 1.00 0.00 C ATOM 932 CD2 PHE A 439 117.087 6.976 -9.369 1.00 0.00 C ATOM 933 CE1 PHE A 439 114.734 5.543 -9.442 1.00 0.00 C ATOM 934 CE2 PHE A 439 116.446 6.765 -10.570 1.00 0.00 C ATOM 935 CZ PHE A 439 115.266 6.048 -10.608 1.00 0.00 C ATOM 0 H PHE A 439 119.161 5.790 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 439 117.467 4.592 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 439 116.532 6.957 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 439 117.956 7.529 -6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 439 114.963 5.355 -7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 439 118.008 7.540 -9.348 1.00 0.00 H new ATOM 0 HE1 PHE A 439 113.811 4.982 -9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 439 116.867 7.161 -11.483 1.00 0.00 H new ATOM 0 HZ PHE A 439 114.762 5.884 -11.549 1.00 0.00 H new ATOM 945 N THR A 440 119.595 5.555 -8.254 1.00 0.00 N ATOM 946 CA THR A 440 120.841 5.361 -8.983 1.00 0.00 C ATOM 947 C THR A 440 121.119 3.863 -9.127 1.00 0.00 C ATOM 948 O THR A 440 121.722 3.239 -8.261 1.00 0.00 O ATOM 949 CB THR A 440 122.067 6.109 -8.368 1.00 0.00 C ATOM 950 OG1 THR A 440 121.784 7.520 -8.296 1.00 0.00 O ATOM 951 CG2 THR A 440 123.319 5.898 -9.214 1.00 0.00 C ATOM 0 H THR A 440 118.819 5.842 -8.851 1.00 0.00 H new ATOM 0 HA THR A 440 120.705 5.812 -9.966 1.00 0.00 H new ATOM 0 HB THR A 440 122.245 5.707 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 440 122.553 7.988 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 440 124.157 6.430 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 440 123.549 4.834 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 440 123.147 6.280 -10.220 1.00 0.00 H new ATOM 959 N PRO A 441 120.589 3.256 -10.197 1.00 0.00 N ATOM 960 CA PRO A 441 120.779 1.862 -10.468 1.00 0.00 C ATOM 961 C PRO A 441 121.989 1.659 -11.381 1.00 0.00 C ATOM 962 O PRO A 441 122.950 2.426 -11.286 1.00 0.00 O ATOM 963 CB PRO A 441 119.454 1.485 -11.157 1.00 0.00 C ATOM 964 CG PRO A 441 118.924 2.756 -11.756 1.00 0.00 C ATOM 965 CD PRO A 441 119.765 3.892 -11.233 1.00 0.00 C ATOM 0 HA PRO A 441 120.986 1.250 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 441 119.615 0.729 -11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 441 118.747 1.066 -10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 441 118.970 2.715 -12.844 1.00 0.00 H new ATOM 0 HG3 PRO A 441 117.877 2.899 -11.487 1.00 0.00 H new ATOM 0 HD2 PRO A 441 120.378 4.333 -12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 441 119.149 4.692 -10.822 1.00 0.00 H new ATOM 973 N SER A 442 121.921 0.643 -12.255 1.00 0.00 N ATOM 974 CA SER A 442 122.984 0.236 -13.169 1.00 0.00 C ATOM 975 C SER A 442 124.019 -0.603 -12.425 1.00 0.00 C ATOM 976 O SER A 442 124.418 -0.262 -11.307 1.00 0.00 O ATOM 977 CB SER A 442 123.679 1.424 -13.887 1.00 0.00 C ATOM 978 OG SER A 442 122.739 2.292 -14.523 1.00 0.00 O ATOM 0 H SER A 442 121.087 0.063 -12.343 1.00 0.00 H new ATOM 0 HA SER A 442 122.507 -0.357 -13.950 1.00 0.00 H new ATOM 0 HB2 SER A 442 124.264 1.992 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 442 124.377 1.039 -14.630 1.00 0.00 H new ATOM 0 HG SER A 442 123.217 3.027 -14.961 1.00 0.00 H new ATOM 984 N PRO A 443 124.461 -1.719 -13.022 1.00 0.00 N ATOM 985 CA PRO A 443 125.527 -2.567 -12.454 1.00 0.00 C ATOM 986 C PRO A 443 126.802 -1.769 -12.241 1.00 0.00 C ATOM 987 O PRO A 443 127.601 -2.071 -11.373 1.00 0.00 O ATOM 988 CB PRO A 443 125.753 -3.586 -13.562 1.00 0.00 C ATOM 989 CG PRO A 443 124.419 -3.702 -14.194 1.00 0.00 C ATOM 990 CD PRO A 443 123.928 -2.302 -14.273 1.00 0.00 C ATOM 0 HA PRO A 443 125.263 -2.995 -11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 443 126.507 -3.247 -14.273 1.00 0.00 H new ATOM 0 HB3 PRO A 443 126.095 -4.542 -13.166 1.00 0.00 H new ATOM 0 HG2 PRO A 443 124.485 -4.157 -15.182 1.00 0.00 H new ATOM 0 HG3 PRO A 443 123.750 -4.325 -13.600 1.00 0.00 H new ATOM 0 HD2 PRO A 443 124.305 -1.787 -15.156 1.00 0.00 H new ATOM 0 HD3 PRO A 443 122.840 -2.253 -14.315 1.00 0.00 H new ATOM 998 N ASP A 444 126.950 -0.736 -13.032 1.00 0.00 N ATOM 999 CA ASP A 444 128.134 0.131 -12.978 1.00 0.00 C ATOM 1000 C ASP A 444 127.696 1.537 -12.637 1.00 0.00 C ATOM 1001 O ASP A 444 128.390 2.514 -12.932 1.00 0.00 O ATOM 1002 CB ASP A 444 128.903 0.141 -14.325 1.00 0.00 C ATOM 1003 CG ASP A 444 129.181 -1.226 -14.872 1.00 0.00 C ATOM 1004 OD1 ASP A 444 130.172 -1.869 -14.455 1.00 0.00 O ATOM 1005 OD2 ASP A 444 128.412 -1.690 -15.751 1.00 0.00 O ATOM 0 H ASP A 444 126.264 -0.460 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 444 128.808 -0.258 -12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 444 128.326 0.705 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 444 129.848 0.667 -14.189 1.00 0.00 H new ATOM 1010 N GLY A 445 126.543 1.619 -12.003 1.00 0.00 N ATOM 1011 CA GLY A 445 125.940 2.888 -11.619 1.00 0.00 C ATOM 1012 C GLY A 445 126.787 3.765 -10.723 1.00 0.00 C ATOM 1013 O GLY A 445 126.746 4.997 -10.843 1.00 0.00 O ATOM 0 H GLY A 445 125.991 0.804 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 445 125.701 3.446 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 445 124.997 2.684 -11.112 1.00 0.00 H new ATOM 1017 N SER A 446 127.515 3.178 -9.812 1.00 0.00 N ATOM 1018 CA SER A 446 128.343 3.949 -8.909 1.00 0.00 C ATOM 1019 C SER A 446 129.579 3.217 -8.512 1.00 0.00 C ATOM 1020 O SER A 446 129.672 2.011 -8.728 1.00 0.00 O ATOM 1021 CB SER A 446 127.551 4.232 -7.613 1.00 0.00 C ATOM 1022 OG SER A 446 126.580 5.248 -7.821 1.00 0.00 O ATOM 0 H SER A 446 127.555 2.169 -9.671 1.00 0.00 H new ATOM 0 HA SER A 446 128.621 4.864 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 446 127.061 3.319 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 446 128.237 4.536 -6.822 1.00 0.00 H new ATOM 0 HG SER A 446 126.543 5.475 -8.774 1.00 0.00 H new ATOM 1028 N PRO A 447 130.600 3.974 -8.002 1.00 0.00 N ATOM 1029 CA PRO A 447 131.751 3.390 -7.349 1.00 0.00 C ATOM 1030 C PRO A 447 131.232 2.518 -6.222 1.00 0.00 C ATOM 1031 O PRO A 447 130.637 3.027 -5.268 1.00 0.00 O ATOM 1032 CB PRO A 447 132.497 4.598 -6.768 1.00 0.00 C ATOM 1033 CG PRO A 447 132.097 5.737 -7.623 1.00 0.00 C ATOM 1034 CD PRO A 447 130.695 5.453 -8.063 1.00 0.00 C ATOM 0 HA PRO A 447 132.385 2.790 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 447 132.222 4.769 -5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 447 133.576 4.445 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 447 132.150 6.676 -7.072 1.00 0.00 H new ATOM 0 HG3 PRO A 447 132.763 5.833 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 447 129.966 5.928 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 447 130.508 5.825 -9.070 1.00 0.00 H new ATOM 1042 N PRO A 448 131.375 1.206 -6.351 1.00 0.00 N ATOM 1043 CA PRO A 448 130.808 0.244 -5.412 1.00 0.00 C ATOM 1044 C PRO A 448 131.288 0.423 -3.971 1.00 0.00 C ATOM 1045 O PRO A 448 130.571 0.079 -3.052 1.00 0.00 O ATOM 1046 CB PRO A 448 131.293 -1.104 -5.945 1.00 0.00 C ATOM 1047 CG PRO A 448 131.546 -0.862 -7.380 1.00 0.00 C ATOM 1048 CD PRO A 448 132.063 0.537 -7.455 1.00 0.00 C ATOM 0 HA PRO A 448 129.725 0.356 -5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 448 132.197 -1.432 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 448 130.544 -1.882 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 448 132.271 -1.572 -7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 448 130.634 -0.977 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 448 133.146 0.573 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 448 131.832 1.001 -8.414 1.00 0.00 H new ATOM 1056 N ASN A 449 132.505 0.941 -3.821 1.00 0.00 N ATOM 1057 CA ASN A 449 133.200 1.176 -2.534 1.00 0.00 C ATOM 1058 C ASN A 449 133.497 -0.110 -1.757 1.00 0.00 C ATOM 1059 O ASN A 449 133.126 -1.205 -2.188 1.00 0.00 O ATOM 1060 CB ASN A 449 132.590 2.328 -1.636 1.00 0.00 C ATOM 1061 CG ASN A 449 131.236 2.072 -0.909 1.00 0.00 C ATOM 1062 OD1 ASN A 449 130.990 0.880 -0.413 1.00 0.00 O flip ATOM 1063 ND2 ASN A 449 130.443 2.998 -0.734 1.00 0.00 N flip ATOM 0 H ASN A 449 133.068 1.225 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 449 134.169 1.573 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 449 133.330 2.582 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 449 132.465 3.208 -2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 449 130.642 3.920 -1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 449 129.588 2.843 -0.201 1.00 0.00 H new ATOM 1070 N CYS A 450 134.195 0.028 -0.630 1.00 0.00 N ATOM 1071 CA CYS A 450 134.598 -1.110 0.208 1.00 0.00 C ATOM 1072 C CYS A 450 135.515 -2.064 -0.558 1.00 0.00 C ATOM 1073 O CYS A 450 135.329 -3.278 -0.531 1.00 0.00 O ATOM 1074 CB CYS A 450 133.379 -1.830 0.797 1.00 0.00 C ATOM 1075 SG CYS A 450 132.381 -0.778 1.911 1.00 0.00 S ATOM 0 H CYS A 450 134.499 0.932 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 450 135.172 -0.720 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 450 132.748 -2.185 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 450 133.716 -2.710 1.346 1.00 0.00 H new ATOM 1080 N SER A 451 136.528 -1.448 -1.195 1.00 0.00 N ATOM 1081 CA SER A 451 137.577 -2.049 -2.017 1.00 0.00 C ATOM 1082 C SER A 451 137.455 -1.753 -3.515 1.00 0.00 C ATOM 1083 O SER A 451 138.352 -1.130 -4.059 1.00 0.00 O ATOM 1084 CB SER A 451 137.897 -3.506 -1.730 1.00 0.00 C ATOM 1085 OG SER A 451 138.164 -3.721 -0.349 1.00 0.00 O ATOM 0 H SER A 451 136.636 -0.435 -1.139 1.00 0.00 H new ATOM 0 HA SER A 451 138.462 -1.513 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 451 137.060 -4.131 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 451 138.761 -3.813 -2.320 1.00 0.00 H new ATOM 0 HG SER A 451 138.364 -4.668 -0.198 1.00 0.00 H new ATOM 1091 N PRO A 452 136.378 -2.159 -4.244 1.00 0.00 N ATOM 1092 CA PRO A 452 136.259 -1.831 -5.663 1.00 0.00 C ATOM 1093 C PRO A 452 135.858 -0.367 -5.835 1.00 0.00 C ATOM 1094 O PRO A 452 134.699 -0.063 -6.031 1.00 0.00 O ATOM 1095 CB PRO A 452 135.144 -2.768 -6.182 1.00 0.00 C ATOM 1096 CG PRO A 452 134.879 -3.716 -5.056 1.00 0.00 C ATOM 1097 CD PRO A 452 135.230 -2.968 -3.808 1.00 0.00 C ATOM 0 HA PRO A 452 137.195 -1.964 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 452 134.247 -2.207 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 452 135.461 -3.300 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 452 133.835 -4.029 -5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 452 135.481 -4.619 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 452 134.404 -2.348 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 452 135.492 -3.640 -2.991 1.00 0.00 H new ATOM 1105 N THR A 453 136.852 0.493 -5.691 1.00 0.00 N ATOM 1106 CA THR A 453 136.806 1.970 -5.707 1.00 0.00 C ATOM 1107 C THR A 453 138.162 2.471 -5.186 1.00 0.00 C ATOM 1108 O THR A 453 138.572 3.605 -5.464 1.00 0.00 O ATOM 1109 CB THR A 453 135.618 2.597 -4.855 1.00 0.00 C ATOM 1110 OG1 THR A 453 134.365 2.337 -5.480 1.00 0.00 O ATOM 1111 CG2 THR A 453 135.747 4.103 -4.657 1.00 0.00 C ATOM 0 H THR A 453 137.805 0.158 -5.546 1.00 0.00 H new ATOM 0 HA THR A 453 136.613 2.293 -6.730 1.00 0.00 H new ATOM 0 HB THR A 453 135.674 2.121 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 453 134.463 1.595 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 453 134.905 4.466 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 453 136.677 4.323 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 453 135.751 4.599 -5.628 1.00 0.00 H new