USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=14 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= 0.422 K(o=0.42,f=-2.7!) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -130:sc= 1.21 (180deg=0.524) USER MOD Single : A 397 SER OG : rot -46:sc= 0.00237 USER MOD Single : A 399 SER OG : rot -1:sc= 0.604 USER MOD Single : A 406 THR OG1 : rot 12:sc= -1.77! USER MOD Single : A 414 ASN : amide:sc=-0.00739 X(o=-0.0074,f=-0.0049) USER MOD Single : A 420 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.5!) USER MOD Single : A 421 ASN : amide:sc= 0.398 X(o=0.4,f=-0.011) USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 160:sc= 1.18 USER MOD Single : A 436 ASN : amide:sc= 0.189 X(o=0.19,f=0.65) USER MOD Single : A 438 MET CE :methyl 157:sc= -0.271 (180deg=-1) 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 180:sc= 0 USER MOD Single : A 449 ASN :FLIP amide:sc= -0.4 F(o=-2.8!,f=-0.4) USER MOD Single : A 451 SER OG : rot 180:sc= 0 USER MOD Single : A 453 THR OG1 : rot 45:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 52 N GLN A 376 131.937 -9.232 4.544 1.00 0.00 N ATOM 53 CA GLN A 376 131.112 -8.588 3.541 1.00 0.00 C ATOM 54 C GLN A 376 131.905 -7.850 2.466 1.00 0.00 C ATOM 55 O GLN A 376 131.779 -8.223 1.299 1.00 0.00 O ATOM 56 CB GLN A 376 130.029 -7.668 4.113 1.00 0.00 C ATOM 57 CG GLN A 376 128.733 -8.348 4.513 1.00 0.00 C ATOM 58 CD GLN A 376 127.610 -7.359 4.765 1.00 0.00 C ATOM 59 OE1 GLN A 376 127.828 -6.218 5.199 1.00 0.00 O ATOM 60 NE2 GLN A 376 126.410 -7.767 4.471 1.00 0.00 N ATOM 0 HA GLN A 376 130.609 -9.430 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 376 130.435 -7.158 4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 376 129.802 -6.900 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 376 128.433 -9.041 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 376 128.900 -8.940 5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 376 126.265 -8.712 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 376 125.614 -7.142 4.596 1.00 0.00 H new ATOM 69 N PRO A 377 132.725 -6.778 2.817 1.00 0.00 N ATOM 70 CA PRO A 377 133.433 -5.938 1.826 1.00 0.00 C ATOM 71 C PRO A 377 134.372 -6.706 0.864 1.00 0.00 C ATOM 72 O PRO A 377 135.577 -6.785 1.070 1.00 0.00 O ATOM 73 CB PRO A 377 134.238 -4.934 2.673 1.00 0.00 C ATOM 74 CG PRO A 377 134.262 -5.509 4.043 1.00 0.00 C ATOM 75 CD PRO A 377 132.995 -6.286 4.191 1.00 0.00 C ATOM 0 HA PRO A 377 132.706 -5.477 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 377 135.247 -4.809 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 377 133.770 -3.950 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 377 135.131 -6.152 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 377 134.326 -4.722 4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 377 133.110 -7.109 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 377 132.182 -5.661 4.560 1.00 0.00 H new ATOM 83 N SER A 378 133.785 -7.323 -0.132 1.00 0.00 N ATOM 84 CA SER A 378 134.521 -8.019 -1.158 1.00 0.00 C ATOM 85 C SER A 378 134.315 -7.321 -2.507 1.00 0.00 C ATOM 86 O SER A 378 135.222 -7.291 -3.344 1.00 0.00 O ATOM 87 CB SER A 378 134.102 -9.488 -1.189 1.00 0.00 C ATOM 88 OG SER A 378 134.167 -10.022 0.138 1.00 0.00 O ATOM 0 H SER A 378 132.773 -7.356 -0.254 1.00 0.00 H new ATOM 0 HA SER A 378 135.588 -7.992 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 378 133.090 -9.582 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 378 134.757 -10.052 -1.854 1.00 0.00 H new ATOM 0 HG SER A 378 133.898 -10.964 0.125 1.00 0.00 H new ATOM 94 N ASP A 379 133.124 -6.738 -2.707 1.00 0.00 N ATOM 95 CA ASP A 379 132.876 -5.912 -3.928 1.00 0.00 C ATOM 96 C ASP A 379 133.702 -4.643 -3.879 1.00 0.00 C ATOM 97 O ASP A 379 134.763 -4.545 -4.495 1.00 0.00 O ATOM 98 CB ASP A 379 131.367 -5.544 -4.116 1.00 0.00 C ATOM 99 CG ASP A 379 131.123 -4.521 -5.206 1.00 0.00 C ATOM 100 OD1 ASP A 379 131.097 -4.881 -6.401 1.00 0.00 O ATOM 101 OD2 ASP A 379 130.927 -3.322 -4.847 1.00 0.00 O ATOM 0 H ASP A 379 132.331 -6.811 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 379 133.173 -6.521 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 379 130.807 -6.450 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 379 130.975 -5.159 -3.174 1.00 0.00 H new ATOM 106 N CYS A 380 133.228 -3.715 -3.098 1.00 0.00 N ATOM 107 CA CYS A 380 133.822 -2.420 -2.920 1.00 0.00 C ATOM 108 C CYS A 380 132.904 -1.640 -2.033 1.00 0.00 C ATOM 109 O CYS A 380 133.297 -1.195 -0.957 1.00 0.00 O ATOM 110 CB CYS A 380 133.978 -1.684 -4.256 1.00 0.00 C ATOM 111 SG CYS A 380 134.670 0.000 -4.103 1.00 0.00 S ATOM 0 H CYS A 380 132.381 -3.845 -2.544 1.00 0.00 H new ATOM 0 HA CYS A 380 134.817 -2.527 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 380 134.622 -2.272 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 380 133.004 -1.622 -4.741 1.00 0.00 H new ATOM 116 N GLY A 381 131.652 -1.519 -2.457 1.00 0.00 N ATOM 117 CA GLY A 381 130.719 -0.779 -1.671 1.00 0.00 C ATOM 118 C GLY A 381 129.305 -1.263 -1.776 1.00 0.00 C ATOM 119 O GLY A 381 128.408 -0.643 -1.230 1.00 0.00 O ATOM 0 H GLY A 381 131.282 -1.918 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 381 131.028 -0.820 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 381 130.756 0.268 -1.974 1.00 0.00 H new ATOM 123 N GLU A 382 129.064 -2.352 -2.484 1.00 0.00 N ATOM 124 CA GLU A 382 127.723 -2.902 -2.447 1.00 0.00 C ATOM 125 C GLU A 382 127.591 -3.751 -1.200 1.00 0.00 C ATOM 126 O GLU A 382 126.567 -3.775 -0.546 1.00 0.00 O ATOM 127 CB GLU A 382 127.378 -3.722 -3.690 1.00 0.00 C ATOM 128 CG GLU A 382 125.969 -4.332 -3.607 1.00 0.00 C ATOM 129 CD GLU A 382 125.550 -5.151 -4.794 1.00 0.00 C ATOM 130 OE1 GLU A 382 126.066 -6.265 -4.988 1.00 0.00 O ATOM 131 OE2 GLU A 382 124.652 -4.715 -5.530 1.00 0.00 O ATOM 0 H GLU A 382 129.740 -2.851 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 382 127.016 -2.073 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 382 127.446 -3.087 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 382 128.111 -4.519 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 382 125.915 -4.959 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 382 125.249 -3.524 -3.472 1.00 0.00 H new ATOM 138 N VAL A 383 128.670 -4.383 -0.839 1.00 0.00 N ATOM 139 CA VAL A 383 128.672 -5.219 0.324 1.00 0.00 C ATOM 140 C VAL A 383 129.317 -4.571 1.507 1.00 0.00 C ATOM 141 O VAL A 383 130.363 -5.002 1.951 1.00 0.00 O ATOM 142 CB VAL A 383 129.248 -6.631 0.122 1.00 0.00 C ATOM 143 CG1 VAL A 383 128.128 -7.625 -0.072 1.00 0.00 C ATOM 144 CG2 VAL A 383 130.211 -6.659 -1.043 1.00 0.00 C ATOM 0 H VAL A 383 129.560 -4.335 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 383 127.609 -5.350 0.525 1.00 0.00 H new ATOM 0 HB VAL A 383 129.806 -6.912 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 383 128.546 -8.621 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 383 127.484 -7.624 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 383 127.544 -7.348 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 383 130.605 -7.668 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 383 129.690 -6.360 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 383 131.033 -5.969 -0.852 1.00 0.00 H new ATOM 154 N ILE A 384 128.746 -3.483 1.961 1.00 0.00 N ATOM 155 CA ILE A 384 129.264 -2.786 3.125 1.00 0.00 C ATOM 156 C ILE A 384 128.121 -2.312 4.038 1.00 0.00 C ATOM 157 O ILE A 384 127.672 -1.165 3.967 1.00 0.00 O ATOM 158 CB ILE A 384 130.226 -1.604 2.763 1.00 0.00 C ATOM 159 CG1 ILE A 384 129.581 -0.646 1.745 1.00 0.00 C ATOM 160 CG2 ILE A 384 131.583 -2.108 2.268 1.00 0.00 C ATOM 161 CD1 ILE A 384 130.396 0.609 1.492 1.00 0.00 C ATOM 0 H ILE A 384 127.919 -3.055 1.544 1.00 0.00 H new ATOM 0 HA ILE A 384 129.868 -3.511 3.671 1.00 0.00 H new ATOM 0 HB ILE A 384 130.404 -1.042 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 384 129.439 -1.173 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 384 128.592 -0.361 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 384 132.221 -1.258 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 384 132.055 -2.707 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 384 131.441 -2.719 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 384 129.881 1.237 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 384 130.516 1.159 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 384 131.377 0.334 1.104 1.00 0.00 H new ATOM 173 N GLU A 385 127.581 -3.269 4.806 1.00 0.00 N ATOM 174 CA GLU A 385 126.456 -3.087 5.747 1.00 0.00 C ATOM 175 C GLU A 385 125.196 -2.600 4.999 1.00 0.00 C ATOM 176 O GLU A 385 124.186 -2.203 5.594 1.00 0.00 O ATOM 177 CB GLU A 385 126.860 -2.151 6.910 1.00 0.00 C ATOM 178 CG GLU A 385 125.862 -2.086 8.060 1.00 0.00 C ATOM 179 CD GLU A 385 126.367 -1.267 9.207 1.00 0.00 C ATOM 180 OE1 GLU A 385 127.109 -1.806 10.061 1.00 0.00 O ATOM 181 OE2 GLU A 385 126.061 -0.052 9.280 1.00 0.00 O ATOM 0 H GLU A 385 127.926 -4.229 4.792 1.00 0.00 H new ATOM 0 HA GLU A 385 126.207 -4.050 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 385 127.823 -2.478 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 385 127.002 -1.145 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 385 124.924 -1.663 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 385 125.644 -3.096 8.406 1.00 0.00 H new ATOM 188 N GLU A 386 125.264 -2.690 3.699 1.00 0.00 N ATOM 189 CA GLU A 386 124.208 -2.299 2.831 1.00 0.00 C ATOM 190 C GLU A 386 123.095 -3.299 3.009 1.00 0.00 C ATOM 191 O GLU A 386 123.273 -4.497 2.781 1.00 0.00 O ATOM 192 CB GLU A 386 124.709 -2.337 1.396 1.00 0.00 C ATOM 193 CG GLU A 386 124.177 -1.256 0.471 1.00 0.00 C ATOM 194 CD GLU A 386 124.353 0.116 1.023 1.00 0.00 C ATOM 195 OE1 GLU A 386 125.440 0.695 0.856 1.00 0.00 O ATOM 196 OE2 GLU A 386 123.414 0.647 1.617 1.00 0.00 O ATOM 0 H GLU A 386 126.083 -3.049 3.209 1.00 0.00 H new ATOM 0 HA GLU A 386 123.859 -1.291 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 386 125.797 -2.270 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 386 124.455 -3.308 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 386 124.687 -1.324 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 386 123.118 -1.434 0.283 1.00 0.00 H new ATOM 203 N CYS A 387 121.983 -2.811 3.445 1.00 0.00 N ATOM 204 CA CYS A 387 120.793 -3.602 3.664 1.00 0.00 C ATOM 205 C CYS A 387 120.181 -4.237 2.388 1.00 0.00 C ATOM 206 O CYS A 387 119.604 -5.308 2.521 1.00 0.00 O ATOM 207 CB CYS A 387 119.728 -2.746 4.313 1.00 0.00 C ATOM 208 SG CYS A 387 119.310 -1.268 3.368 1.00 0.00 S ATOM 0 H CYS A 387 121.861 -1.823 3.669 1.00 0.00 H new ATOM 0 HA CYS A 387 121.115 -4.425 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 387 118.828 -3.345 4.451 1.00 0.00 H new ATOM 0 HB3 CYS A 387 120.068 -2.448 5.305 1.00 0.00 H new ATOM 213 N PRO A 388 120.271 -3.580 1.128 1.00 0.00 N ATOM 214 CA PRO A 388 119.586 -4.039 -0.075 1.00 0.00 C ATOM 215 C PRO A 388 119.671 -5.560 -0.382 1.00 0.00 C ATOM 216 O PRO A 388 118.926 -6.356 0.213 1.00 0.00 O ATOM 217 CB PRO A 388 120.184 -3.182 -1.212 1.00 0.00 C ATOM 218 CG PRO A 388 121.362 -2.530 -0.616 1.00 0.00 C ATOM 219 CD PRO A 388 121.018 -2.358 0.806 1.00 0.00 C ATOM 0 HA PRO A 388 118.511 -3.910 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 388 120.464 -3.799 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 388 119.465 -2.446 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 388 122.256 -3.142 -0.735 1.00 0.00 H new ATOM 0 HG3 PRO A 388 121.567 -1.571 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 388 121.909 -2.258 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 388 120.415 -1.465 0.968 1.00 0.00 H new ATOM 227 N ILE A 389 120.529 -5.968 -1.344 1.00 0.00 N ATOM 228 CA ILE A 389 120.684 -7.380 -1.714 1.00 0.00 C ATOM 229 C ILE A 389 119.314 -7.927 -2.253 1.00 0.00 C ATOM 230 O ILE A 389 118.271 -7.201 -2.319 1.00 0.00 O ATOM 231 CB ILE A 389 121.206 -8.248 -0.467 1.00 0.00 C ATOM 232 CG1 ILE A 389 122.420 -7.581 0.201 1.00 0.00 C ATOM 233 CG2 ILE A 389 121.590 -9.692 -0.845 1.00 0.00 C ATOM 234 CD1 ILE A 389 123.637 -7.479 -0.706 1.00 0.00 C ATOM 0 H ILE A 389 121.123 -5.332 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 389 121.434 -7.464 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 389 120.365 -8.292 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 389 122.138 -6.581 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 389 122.689 -8.147 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 389 121.934 -10.222 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 389 120.721 -10.203 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 389 122.388 -9.674 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 389 124.453 -6.998 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 389 123.945 -8.478 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 389 123.386 -6.888 -1.587 1.00 0.00 H new ATOM 246 N ASP A 390 119.300 -9.163 -2.631 1.00 0.00 N ATOM 247 CA ASP A 390 118.111 -9.827 -3.073 1.00 0.00 C ATOM 248 C ASP A 390 117.083 -9.906 -1.944 1.00 0.00 C ATOM 249 O ASP A 390 115.896 -10.059 -2.204 1.00 0.00 O ATOM 250 CB ASP A 390 118.462 -11.216 -3.592 1.00 0.00 C ATOM 251 CG ASP A 390 118.885 -12.191 -2.513 1.00 0.00 C ATOM 252 OD1 ASP A 390 118.013 -12.764 -1.818 1.00 0.00 O ATOM 253 OD2 ASP A 390 120.099 -12.382 -2.345 1.00 0.00 O ATOM 0 H ASP A 390 120.131 -9.755 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 390 117.665 -9.253 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 390 117.599 -11.624 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 390 119.267 -11.127 -4.322 1.00 0.00 H new ATOM 258 N ALA A 391 117.550 -9.707 -0.699 1.00 0.00 N ATOM 259 CA ALA A 391 116.714 -9.751 0.479 1.00 0.00 C ATOM 260 C ALA A 391 115.782 -8.564 0.473 1.00 0.00 C ATOM 261 O ALA A 391 114.654 -8.632 0.994 1.00 0.00 O ATOM 262 CB ALA A 391 117.563 -9.753 1.744 1.00 0.00 C ATOM 0 H ALA A 391 118.530 -9.510 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 391 116.130 -10.671 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 391 116.913 -9.786 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 391 118.215 -10.626 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 391 118.169 -8.848 1.777 1.00 0.00 H new ATOM 268 N CYS A 392 116.256 -7.467 -0.116 1.00 0.00 N ATOM 269 CA CYS A 392 115.442 -6.299 -0.313 1.00 0.00 C ATOM 270 C CYS A 392 114.321 -6.648 -1.234 1.00 0.00 C ATOM 271 O CYS A 392 113.180 -6.364 -0.929 1.00 0.00 O ATOM 272 CB CYS A 392 116.272 -5.134 -0.878 1.00 0.00 C ATOM 273 SG CYS A 392 115.329 -3.690 -1.503 1.00 0.00 S ATOM 0 H CYS A 392 117.211 -7.377 -0.463 1.00 0.00 H new ATOM 0 HA CYS A 392 115.040 -5.972 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 392 116.950 -4.788 -0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 392 116.889 -5.517 -1.691 1.00 0.00 H new ATOM 278 N PHE A 393 114.707 -7.311 -2.335 1.00 0.00 N ATOM 279 CA PHE A 393 113.868 -7.839 -3.436 1.00 0.00 C ATOM 280 C PHE A 393 114.660 -7.720 -4.699 1.00 0.00 C ATOM 281 O PHE A 393 114.596 -6.687 -5.334 1.00 0.00 O ATOM 282 CB PHE A 393 112.482 -7.148 -3.662 1.00 0.00 C ATOM 283 CG PHE A 393 111.361 -7.791 -2.877 1.00 0.00 C ATOM 284 CD1 PHE A 393 111.111 -9.141 -3.014 1.00 0.00 C ATOM 285 CD2 PHE A 393 110.589 -7.064 -1.990 1.00 0.00 C ATOM 286 CE1 PHE A 393 110.120 -9.749 -2.296 1.00 0.00 C ATOM 287 CE2 PHE A 393 109.596 -7.677 -1.261 1.00 0.00 C ATOM 288 CZ PHE A 393 109.364 -9.018 -1.417 1.00 0.00 C ATOM 0 H PHE A 393 115.694 -7.511 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 393 113.623 -8.862 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 393 112.557 -6.097 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 393 112.237 -7.178 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 393 111.707 -9.726 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 393 110.767 -6.006 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 393 109.933 -10.805 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 393 109.001 -7.102 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 393 108.584 -9.500 -0.846 1.00 0.00 H new ATOM 298 N LEU A 394 115.503 -8.744 -5.007 1.00 0.00 N ATOM 299 CA LEU A 394 116.383 -8.738 -6.206 1.00 0.00 C ATOM 300 C LEU A 394 117.571 -7.795 -5.928 1.00 0.00 C ATOM 301 O LEU A 394 117.461 -6.918 -5.071 1.00 0.00 O ATOM 302 CB LEU A 394 115.646 -8.277 -7.520 1.00 0.00 C ATOM 303 CG LEU A 394 114.578 -9.196 -8.174 1.00 0.00 C ATOM 304 CD1 LEU A 394 113.431 -9.536 -7.239 1.00 0.00 C ATOM 305 CD2 LEU A 394 114.037 -8.522 -9.420 1.00 0.00 C ATOM 0 H LEU A 394 115.590 -9.586 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 394 116.712 -9.763 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 394 115.165 -7.323 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 394 116.412 -8.085 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 394 115.070 -10.136 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 394 112.719 -10.180 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 394 113.818 -10.053 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 394 112.931 -8.619 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 394 113.287 -9.163 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 394 113.583 -7.568 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 394 114.852 -8.350 -10.123 1.00 0.00 H new ATOM 317 N PRO A 395 118.744 -8.010 -6.561 1.00 0.00 N ATOM 318 CA PRO A 395 119.916 -7.111 -6.459 1.00 0.00 C ATOM 319 C PRO A 395 119.665 -5.685 -6.956 1.00 0.00 C ATOM 320 O PRO A 395 120.420 -5.199 -7.762 1.00 0.00 O ATOM 321 CB PRO A 395 120.972 -7.773 -7.363 1.00 0.00 C ATOM 322 CG PRO A 395 120.226 -8.768 -8.168 1.00 0.00 C ATOM 323 CD PRO A 395 119.099 -9.213 -7.307 1.00 0.00 C ATOM 0 HA PRO A 395 120.203 -6.998 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 395 121.461 -7.037 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 395 121.753 -8.251 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 395 119.861 -8.327 -9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 395 120.864 -9.608 -8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 395 118.261 -9.579 -7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 395 119.398 -10.024 -6.642 1.00 0.00 H new ATOM 331 N LYS A 396 118.638 -5.029 -6.390 1.00 0.00 N ATOM 332 CA LYS A 396 118.227 -3.606 -6.597 1.00 0.00 C ATOM 333 C LYS A 396 118.415 -3.005 -8.003 1.00 0.00 C ATOM 334 O LYS A 396 117.431 -2.768 -8.746 1.00 0.00 O ATOM 335 CB LYS A 396 118.747 -2.706 -5.437 1.00 0.00 C ATOM 336 CG LYS A 396 119.824 -3.352 -4.564 1.00 0.00 C ATOM 337 CD LYS A 396 121.221 -2.718 -4.703 1.00 0.00 C ATOM 338 CE LYS A 396 121.842 -2.988 -6.031 1.00 0.00 C ATOM 339 NZ LYS A 396 123.261 -2.577 -6.076 1.00 0.00 N ATOM 0 H LYS A 396 118.022 -5.501 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 396 117.138 -3.631 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 396 119.146 -1.784 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 396 117.904 -2.428 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 396 119.513 -3.292 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 396 119.892 -4.410 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 396 121.144 -1.641 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 396 121.871 -3.103 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 396 121.766 -4.052 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 396 121.287 -2.458 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 123.426 -1.992 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 123.491 -2.028 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 123.866 -3.422 -6.117 1.00 0.00 H new ATOM 353 N SER A 397 119.651 -2.837 -8.359 1.00 0.00 N ATOM 354 CA SER A 397 120.122 -2.267 -9.575 1.00 0.00 C ATOM 355 C SER A 397 119.992 -3.307 -10.702 1.00 0.00 C ATOM 356 O SER A 397 120.505 -3.116 -11.780 1.00 0.00 O ATOM 357 CB SER A 397 121.595 -1.879 -9.358 1.00 0.00 C ATOM 358 OG SER A 397 122.041 -0.917 -10.296 1.00 0.00 O ATOM 0 H SER A 397 120.419 -3.121 -7.751 1.00 0.00 H new ATOM 0 HA SER A 397 119.543 -1.387 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 397 121.720 -1.485 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 397 122.218 -2.771 -9.431 1.00 0.00 H new ATOM 0 HG SER A 397 121.756 -1.181 -11.196 1.00 0.00 H new ATOM 364 N ASP A 398 119.301 -4.413 -10.395 1.00 0.00 N ATOM 365 CA ASP A 398 118.970 -5.479 -11.343 1.00 0.00 C ATOM 366 C ASP A 398 118.408 -4.926 -12.656 1.00 0.00 C ATOM 367 O ASP A 398 119.106 -4.860 -13.658 1.00 0.00 O ATOM 368 CB ASP A 398 118.048 -6.537 -10.644 1.00 0.00 C ATOM 369 CG ASP A 398 117.225 -7.404 -11.577 1.00 0.00 C ATOM 370 OD1 ASP A 398 116.102 -7.010 -11.900 1.00 0.00 O ATOM 371 OD2 ASP A 398 117.677 -8.498 -11.970 1.00 0.00 O ATOM 0 H ASP A 398 118.949 -4.593 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 398 119.882 -5.997 -11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 398 118.671 -7.186 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 398 117.370 -6.013 -9.970 1.00 0.00 H new ATOM 376 N SER A 399 117.198 -4.533 -12.650 1.00 0.00 N ATOM 377 CA SER A 399 116.549 -3.895 -13.766 1.00 0.00 C ATOM 378 C SER A 399 115.370 -3.098 -13.237 1.00 0.00 C ATOM 379 O SER A 399 114.336 -3.026 -13.877 1.00 0.00 O ATOM 380 CB SER A 399 116.055 -4.929 -14.808 1.00 0.00 C ATOM 381 OG SER A 399 117.142 -5.701 -15.318 1.00 0.00 O ATOM 0 H SER A 399 116.588 -4.643 -11.840 1.00 0.00 H new ATOM 0 HA SER A 399 117.266 -3.244 -14.267 1.00 0.00 H new ATOM 0 HB2 SER A 399 115.319 -5.589 -14.349 1.00 0.00 H new ATOM 0 HB3 SER A 399 115.554 -4.414 -15.628 1.00 0.00 H new ATOM 0 HG SER A 399 117.979 -5.400 -14.906 1.00 0.00 H new ATOM 387 N ALA A 400 115.573 -2.491 -12.040 1.00 0.00 N ATOM 388 CA ALA A 400 114.576 -1.665 -11.352 1.00 0.00 C ATOM 389 C ALA A 400 113.577 -2.517 -10.585 1.00 0.00 C ATOM 390 O ALA A 400 112.495 -2.810 -11.069 1.00 0.00 O ATOM 391 CB ALA A 400 113.863 -0.656 -12.279 1.00 0.00 C ATOM 0 H ALA A 400 116.451 -2.570 -11.527 1.00 0.00 H new ATOM 0 HA ALA A 400 115.134 -1.066 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 400 113.140 -0.080 -11.702 1.00 0.00 H new ATOM 0 HB2 ALA A 400 114.599 0.019 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 400 113.347 -1.194 -13.074 1.00 0.00 H new ATOM 397 N ARG A 401 113.994 -3.010 -9.428 1.00 0.00 N ATOM 398 CA ARG A 401 113.113 -3.829 -8.598 1.00 0.00 C ATOM 399 C ARG A 401 112.022 -3.003 -7.908 1.00 0.00 C ATOM 400 O ARG A 401 112.110 -1.765 -7.923 1.00 0.00 O ATOM 401 CB ARG A 401 113.938 -4.685 -7.611 1.00 0.00 C ATOM 402 CG ARG A 401 114.961 -3.974 -6.723 1.00 0.00 C ATOM 403 CD ARG A 401 114.405 -3.299 -5.440 1.00 0.00 C ATOM 404 NE ARG A 401 113.912 -1.914 -5.610 1.00 0.00 N ATOM 405 CZ ARG A 401 114.243 -0.858 -4.813 1.00 0.00 C ATOM 406 NH1 ARG A 401 115.176 -0.980 -3.868 1.00 0.00 N ATOM 407 NH2 ARG A 401 113.612 0.305 -4.958 1.00 0.00 N ATOM 0 H ARG A 401 114.927 -2.861 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 401 112.578 -4.516 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 401 113.239 -5.210 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 401 114.467 -5.443 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 401 115.720 -4.698 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 401 115.463 -3.213 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 401 113.590 -3.911 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 401 115.189 -3.296 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 401 113.274 -1.735 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 401 115.652 -1.872 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 401 115.413 -0.181 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 401 112.883 0.405 -5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 401 113.858 1.096 -4.363 1.00 0.00 H new ATOM 421 N PRO A 402 110.960 -3.686 -7.344 1.00 0.00 N ATOM 422 CA PRO A 402 109.853 -3.075 -6.569 1.00 0.00 C ATOM 423 C PRO A 402 110.211 -1.793 -5.763 1.00 0.00 C ATOM 424 O PRO A 402 111.326 -1.608 -5.348 1.00 0.00 O ATOM 425 CB PRO A 402 109.494 -4.213 -5.627 1.00 0.00 C ATOM 426 CG PRO A 402 109.593 -5.421 -6.486 1.00 0.00 C ATOM 427 CD PRO A 402 110.693 -5.151 -7.486 1.00 0.00 C ATOM 0 HA PRO A 402 109.062 -2.715 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 402 110.180 -4.265 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 402 108.491 -4.093 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 402 109.821 -6.304 -5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 402 108.648 -5.615 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 402 111.583 -5.742 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 402 110.382 -5.404 -8.500 1.00 0.00 H new ATOM 435 N PRO A 403 109.227 -0.942 -5.500 1.00 0.00 N ATOM 436 CA PRO A 403 109.436 0.369 -4.870 1.00 0.00 C ATOM 437 C PRO A 403 109.864 0.316 -3.389 1.00 0.00 C ATOM 438 O PRO A 403 109.837 -0.731 -2.732 1.00 0.00 O ATOM 439 CB PRO A 403 108.077 1.039 -5.007 1.00 0.00 C ATOM 440 CG PRO A 403 107.118 -0.094 -5.074 1.00 0.00 C ATOM 441 CD PRO A 403 107.823 -1.209 -5.755 1.00 0.00 C ATOM 0 HA PRO A 403 110.260 0.897 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 403 107.866 1.690 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 403 108.026 1.657 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 403 106.799 -0.391 -4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 403 106.221 0.190 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 403 107.521 -2.177 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 403 107.607 -1.225 -6.823 1.00 0.00 H new ATOM 449 N ASP A 404 110.194 1.473 -2.864 1.00 0.00 N ATOM 450 CA ASP A 404 110.711 1.655 -1.483 1.00 0.00 C ATOM 451 C ASP A 404 109.591 1.882 -0.414 1.00 0.00 C ATOM 452 O ASP A 404 109.730 2.743 0.456 1.00 0.00 O ATOM 453 CB ASP A 404 111.634 2.890 -1.437 1.00 0.00 C ATOM 454 CG ASP A 404 112.975 2.798 -2.175 1.00 0.00 C ATOM 455 OD1 ASP A 404 112.985 2.537 -3.406 1.00 0.00 O ATOM 456 OD2 ASP A 404 114.023 3.128 -1.587 1.00 0.00 O ATOM 0 H ASP A 404 110.117 2.350 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 404 111.234 0.730 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 404 111.083 3.737 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 404 111.840 3.117 -0.391 1.00 0.00 H new ATOM 461 N CYS A 405 108.490 1.181 -0.527 1.00 0.00 N ATOM 462 CA CYS A 405 107.431 1.143 0.549 1.00 0.00 C ATOM 463 C CYS A 405 106.722 2.435 0.830 1.00 0.00 C ATOM 464 O CYS A 405 105.620 2.607 0.382 1.00 0.00 O ATOM 465 CB CYS A 405 107.928 0.554 1.842 1.00 0.00 C ATOM 466 SG CYS A 405 107.884 -1.257 1.910 1.00 0.00 S ATOM 0 H CYS A 405 108.268 0.613 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 405 106.686 0.483 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 405 108.953 0.886 2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 405 107.328 0.950 2.661 1.00 0.00 H new ATOM 471 N THR A 406 107.295 3.307 1.663 1.00 0.00 N ATOM 472 CA THR A 406 106.771 4.674 1.876 1.00 0.00 C ATOM 473 C THR A 406 106.502 5.308 0.507 1.00 0.00 C ATOM 474 O THR A 406 105.541 6.041 0.300 1.00 0.00 O ATOM 475 CB THR A 406 107.860 5.501 2.604 1.00 0.00 C ATOM 476 OG1 THR A 406 108.045 5.083 3.954 1.00 0.00 O ATOM 477 CG2 THR A 406 107.617 6.980 2.494 1.00 0.00 C ATOM 0 H THR A 406 108.130 3.095 2.209 1.00 0.00 H new ATOM 0 HA THR A 406 105.855 4.650 2.466 1.00 0.00 H new ATOM 0 HB THR A 406 108.799 5.300 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 406 107.578 4.234 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 406 108.406 7.518 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 406 107.616 7.271 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 406 106.652 7.224 2.939 1.00 0.00 H new ATOM 485 N ALA A 407 107.391 4.981 -0.363 1.00 0.00 N ATOM 486 CA ALA A 407 107.364 5.260 -1.772 1.00 0.00 C ATOM 487 C ALA A 407 105.990 4.908 -2.440 1.00 0.00 C ATOM 488 O ALA A 407 105.669 5.434 -3.496 1.00 0.00 O ATOM 489 CB ALA A 407 108.504 4.472 -2.337 1.00 0.00 C ATOM 0 H ALA A 407 108.230 4.468 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 407 107.472 6.326 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 407 108.556 4.629 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 407 109.436 4.800 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 407 108.351 3.413 -2.131 1.00 0.00 H new ATOM 495 N VAL A 408 105.212 4.012 -1.831 1.00 0.00 N ATOM 496 CA VAL A 408 103.876 3.696 -2.296 1.00 0.00 C ATOM 497 C VAL A 408 102.855 4.107 -1.207 1.00 0.00 C ATOM 498 O VAL A 408 101.672 4.284 -1.484 1.00 0.00 O ATOM 499 CB VAL A 408 103.716 2.161 -2.621 1.00 0.00 C ATOM 500 CG1 VAL A 408 104.896 1.653 -3.402 1.00 0.00 C ATOM 501 CG2 VAL A 408 103.512 1.299 -1.379 1.00 0.00 C ATOM 0 H VAL A 408 105.497 3.489 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 408 103.695 4.248 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 408 102.811 2.076 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 408 104.763 0.592 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 408 104.976 2.203 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 408 105.806 1.795 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 408 103.409 0.255 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 408 104.371 1.406 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 408 102.610 1.619 -0.858 1.00 0.00 H new ATOM 511 N GLY A 409 103.348 4.267 0.034 1.00 0.00 N ATOM 512 CA GLY A 409 102.499 4.595 1.114 1.00 0.00 C ATOM 513 C GLY A 409 102.713 3.785 2.375 1.00 0.00 C ATOM 514 O GLY A 409 101.881 3.829 3.239 1.00 0.00 O ATOM 0 H GLY A 409 104.333 4.168 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 409 102.633 5.650 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 409 101.465 4.470 0.793 1.00 0.00 H new ATOM 518 N ARG A 410 103.763 2.965 2.443 1.00 0.00 N ATOM 519 CA ARG A 410 104.117 2.222 3.670 1.00 0.00 C ATOM 520 C ARG A 410 105.157 2.961 4.492 1.00 0.00 C ATOM 521 O ARG A 410 106.341 2.624 4.406 1.00 0.00 O ATOM 522 CB ARG A 410 104.711 0.842 3.331 1.00 0.00 C ATOM 523 CG ARG A 410 103.702 -0.252 3.091 1.00 0.00 C ATOM 524 CD ARG A 410 102.482 -0.157 4.067 1.00 0.00 C ATOM 525 NE ARG A 410 101.538 0.946 3.818 1.00 0.00 N ATOM 526 CZ ARG A 410 100.518 1.297 4.637 1.00 0.00 C ATOM 527 NH1 ARG A 410 100.237 0.576 5.720 1.00 0.00 N ATOM 528 NH2 ARG A 410 99.782 2.365 4.357 1.00 0.00 N ATOM 0 H ARG A 410 104.393 2.793 1.659 1.00 0.00 H new ATOM 0 HA ARG A 410 103.192 2.118 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 410 105.333 0.941 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 410 105.367 0.537 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 410 103.347 -0.197 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 410 104.185 -1.222 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 410 101.932 -1.097 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 410 102.863 -0.060 5.084 1.00 0.00 H new ATOM 0 HE ARG A 410 101.662 1.487 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 410 100.792 -0.251 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 410 99.466 0.850 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 410 99.985 2.920 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 410 99.014 2.631 4.973 1.00 0.00 H new ATOM 542 N PRO A 411 104.780 3.958 5.331 1.00 0.00 N ATOM 543 CA PRO A 411 105.766 4.730 6.100 1.00 0.00 C ATOM 544 C PRO A 411 106.231 3.909 7.284 1.00 0.00 C ATOM 545 O PRO A 411 107.240 4.174 7.916 1.00 0.00 O ATOM 546 CB PRO A 411 104.967 5.936 6.578 1.00 0.00 C ATOM 547 CG PRO A 411 103.579 5.417 6.734 1.00 0.00 C ATOM 548 CD PRO A 411 103.393 4.407 5.640 1.00 0.00 C ATOM 0 HA PRO A 411 106.652 5.006 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 411 105.356 6.323 7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 411 105.008 6.752 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 411 103.440 4.961 7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 411 102.849 6.222 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 411 102.767 3.576 5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 411 102.911 4.847 4.767 1.00 0.00 H new ATOM 556 N ASP A 412 105.505 2.851 7.488 1.00 0.00 N ATOM 557 CA ASP A 412 105.702 1.921 8.581 1.00 0.00 C ATOM 558 C ASP A 412 106.957 1.114 8.266 1.00 0.00 C ATOM 559 O ASP A 412 107.793 0.810 9.126 1.00 0.00 O ATOM 560 CB ASP A 412 104.444 1.040 8.633 1.00 0.00 C ATOM 561 CG ASP A 412 104.249 0.256 9.890 1.00 0.00 C ATOM 562 OD1 ASP A 412 104.744 0.669 10.967 1.00 0.00 O ATOM 563 OD2 ASP A 412 103.521 -0.742 9.834 1.00 0.00 O ATOM 0 H ASP A 412 104.728 2.594 6.880 1.00 0.00 H new ATOM 0 HA ASP A 412 105.840 2.402 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 412 103.572 1.677 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 412 104.476 0.344 7.795 1.00 0.00 H new ATOM 568 N CYS A 413 107.151 0.938 6.988 1.00 0.00 N ATOM 569 CA CYS A 413 108.260 0.183 6.495 1.00 0.00 C ATOM 570 C CYS A 413 109.472 1.051 6.360 1.00 0.00 C ATOM 571 O CYS A 413 110.521 0.557 6.119 1.00 0.00 O ATOM 572 CB CYS A 413 107.933 -0.470 5.202 1.00 0.00 C ATOM 573 SG CYS A 413 106.515 -1.561 5.304 1.00 0.00 S ATOM 0 H CYS A 413 106.542 1.316 6.262 1.00 0.00 H new ATOM 0 HA CYS A 413 108.479 -0.602 7.219 1.00 0.00 H new ATOM 0 HB2 CYS A 413 107.740 0.298 4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 413 108.798 -1.039 4.860 1.00 0.00 H new ATOM 578 N ASN A 414 109.286 2.394 6.423 1.00 0.00 N ATOM 579 CA ASN A 414 110.447 3.327 6.535 1.00 0.00 C ATOM 580 C ASN A 414 111.505 2.837 7.578 1.00 0.00 C ATOM 581 O ASN A 414 112.712 3.197 7.526 1.00 0.00 O ATOM 582 CB ASN A 414 109.985 4.774 6.812 1.00 0.00 C ATOM 583 CG ASN A 414 111.122 5.777 7.009 1.00 0.00 C ATOM 584 OD1 ASN A 414 111.609 6.377 6.053 1.00 0.00 O ATOM 585 ND2 ASN A 414 111.517 5.997 8.240 1.00 0.00 N ATOM 0 H ASN A 414 108.374 2.849 6.399 1.00 0.00 H new ATOM 0 HA ASN A 414 110.949 3.328 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 414 109.363 5.108 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 414 109.357 4.777 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 414 112.249 6.683 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 414 111.092 5.482 9.012 1.00 0.00 H new ATOM 592 N VAL A 415 111.089 2.003 8.506 1.00 0.00 N ATOM 593 CA VAL A 415 112.058 1.431 9.345 1.00 0.00 C ATOM 594 C VAL A 415 112.847 0.340 8.633 1.00 0.00 C ATOM 595 O VAL A 415 112.294 -0.654 8.165 1.00 0.00 O ATOM 596 CB VAL A 415 111.553 0.942 10.677 1.00 0.00 C ATOM 597 CG1 VAL A 415 112.646 0.096 11.309 1.00 0.00 C ATOM 598 CG2 VAL A 415 111.245 2.120 11.562 1.00 0.00 C ATOM 0 H VAL A 415 110.122 1.728 8.677 1.00 0.00 H new ATOM 0 HA VAL A 415 112.723 2.261 9.582 1.00 0.00 H new ATOM 0 HB VAL A 415 110.645 0.353 10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 415 112.307 -0.272 12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 415 112.874 -0.749 10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 415 113.542 0.702 11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 415 110.880 1.765 12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 415 112.150 2.709 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 415 110.482 2.740 11.091 1.00 0.00 H new ATOM 608 N LEU A 416 114.121 0.607 8.552 1.00 0.00 N ATOM 609 CA LEU A 416 115.144 -0.268 7.986 1.00 0.00 C ATOM 610 C LEU A 416 114.992 -1.782 8.403 1.00 0.00 C ATOM 611 O LEU A 416 114.789 -2.606 7.506 1.00 0.00 O ATOM 612 CB LEU A 416 116.535 0.324 8.297 1.00 0.00 C ATOM 613 CG LEU A 416 117.747 -0.195 7.485 1.00 0.00 C ATOM 614 CD1 LEU A 416 118.139 -1.620 7.848 1.00 0.00 C ATOM 615 CD2 LEU A 416 117.448 -0.100 6.014 1.00 0.00 C ATOM 0 H LEU A 416 114.508 1.486 8.894 1.00 0.00 H new ATOM 0 HA LEU A 416 115.012 -0.297 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 416 116.477 1.403 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 416 116.742 0.151 9.353 1.00 0.00 H new ATOM 0 HG LEU A 416 118.598 0.437 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 416 118.994 -1.927 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 416 118.404 -1.667 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 416 117.300 -2.289 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 416 118.302 -0.466 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 416 116.571 -0.704 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 416 117.253 0.939 5.749 1.00 0.00 H new ATOM 627 N PRO A 417 115.174 -2.210 9.734 1.00 0.00 N ATOM 628 CA PRO A 417 114.866 -3.589 10.128 1.00 0.00 C ATOM 629 C PRO A 417 113.457 -3.919 9.688 1.00 0.00 C ATOM 630 O PRO A 417 112.504 -3.230 10.081 1.00 0.00 O ATOM 631 CB PRO A 417 114.936 -3.567 11.651 1.00 0.00 C ATOM 632 CG PRO A 417 115.867 -2.464 11.978 1.00 0.00 C ATOM 633 CD PRO A 417 115.728 -1.444 10.879 1.00 0.00 C ATOM 0 HA PRO A 417 115.541 -4.324 9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 417 113.952 -3.396 12.088 1.00 0.00 H new ATOM 0 HB3 PRO A 417 115.298 -4.518 12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 417 115.624 -2.026 12.946 1.00 0.00 H new ATOM 0 HG3 PRO A 417 116.892 -2.828 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 417 115.063 -0.631 11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 417 116.689 -0.995 10.629 1.00 0.00 H new ATOM 641 N PHE A 418 113.315 -4.964 8.920 1.00 0.00 N ATOM 642 CA PHE A 418 112.074 -5.226 8.265 1.00 0.00 C ATOM 643 C PHE A 418 111.083 -5.861 9.204 1.00 0.00 C ATOM 644 O PHE A 418 111.304 -6.979 9.680 1.00 0.00 O ATOM 645 CB PHE A 418 112.277 -6.151 7.071 1.00 0.00 C ATOM 646 CG PHE A 418 111.497 -5.716 5.869 1.00 0.00 C ATOM 647 CD1 PHE A 418 111.628 -4.434 5.378 1.00 0.00 C ATOM 648 CD2 PHE A 418 110.619 -6.568 5.256 1.00 0.00 C ATOM 649 CE1 PHE A 418 110.895 -4.026 4.287 1.00 0.00 C ATOM 650 CE2 PHE A 418 109.881 -6.167 4.170 1.00 0.00 C ATOM 651 CZ PHE A 418 110.022 -4.892 3.687 1.00 0.00 C ATOM 0 H PHE A 418 114.049 -5.647 8.735 1.00 0.00 H new ATOM 0 HA PHE A 418 111.683 -4.267 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 418 113.337 -6.186 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 418 111.981 -7.163 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 418 112.311 -3.745 5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 418 110.505 -7.574 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 418 111.009 -3.022 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 418 109.193 -6.853 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 418 109.444 -4.571 2.833 1.00 0.00 H new ATOM 661 N PRO A 419 109.968 -5.171 9.507 1.00 0.00 N ATOM 662 CA PRO A 419 108.949 -5.744 10.343 1.00 0.00 C ATOM 663 C PRO A 419 108.283 -6.879 9.619 1.00 0.00 C ATOM 664 O PRO A 419 108.113 -7.954 10.176 1.00 0.00 O ATOM 665 CB PRO A 419 107.934 -4.628 10.559 1.00 0.00 C ATOM 666 CG PRO A 419 108.529 -3.373 9.991 1.00 0.00 C ATOM 667 CD PRO A 419 109.646 -3.785 9.079 1.00 0.00 C ATOM 0 HA PRO A 419 109.356 -6.125 11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 419 106.991 -4.864 10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 419 107.717 -4.505 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 419 107.777 -2.803 9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 419 108.901 -2.729 10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 419 109.340 -3.751 8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 419 110.508 -3.126 9.181 1.00 0.00 H new ATOM 675 N ASN A 420 107.872 -6.597 8.348 1.00 0.00 N ATOM 676 CA ASN A 420 107.189 -7.545 7.428 1.00 0.00 C ATOM 677 C ASN A 420 106.057 -8.275 8.077 1.00 0.00 C ATOM 678 O ASN A 420 105.675 -9.377 7.689 1.00 0.00 O ATOM 679 CB ASN A 420 108.146 -8.453 6.573 1.00 0.00 C ATOM 680 CG ASN A 420 109.345 -9.159 7.261 1.00 0.00 C ATOM 681 OD1 ASN A 420 110.416 -9.260 6.665 1.00 0.00 O ATOM 682 ND2 ASN A 420 109.187 -9.728 8.406 1.00 0.00 N ATOM 0 H ASN A 420 108.012 -5.678 7.928 1.00 0.00 H new ATOM 0 HA ASN A 420 106.727 -6.909 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 420 107.534 -9.226 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 420 108.547 -7.838 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 420 109.951 -10.263 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 420 108.298 -9.643 8.899 1.00 0.00 H new ATOM 689 N ASN A 421 105.508 -7.614 9.057 1.00 0.00 N ATOM 690 CA ASN A 421 104.442 -8.127 9.851 1.00 0.00 C ATOM 691 C ASN A 421 103.419 -7.043 10.248 1.00 0.00 C ATOM 692 O ASN A 421 102.591 -7.263 11.132 1.00 0.00 O ATOM 693 CB ASN A 421 105.019 -8.749 11.123 1.00 0.00 C ATOM 694 CG ASN A 421 104.911 -10.261 11.198 1.00 0.00 C ATOM 695 OD1 ASN A 421 104.747 -10.820 12.283 1.00 0.00 O ATOM 696 ND2 ASN A 421 105.039 -10.937 10.072 1.00 0.00 N ATOM 0 H ASN A 421 105.803 -6.676 9.328 1.00 0.00 H new ATOM 0 HA ASN A 421 103.919 -8.870 9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 421 106.070 -8.469 11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 421 104.508 -8.319 11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 421 105.003 -11.956 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 421 105.174 -10.440 9.191 1.00 0.00 H new ATOM 703 N ILE A 422 103.439 -5.903 9.570 1.00 0.00 N ATOM 704 CA ILE A 422 102.565 -4.759 9.931 1.00 0.00 C ATOM 705 C ILE A 422 102.100 -3.962 8.699 1.00 0.00 C ATOM 706 O ILE A 422 100.900 -3.762 8.497 1.00 0.00 O ATOM 707 CB ILE A 422 103.236 -3.788 10.951 1.00 0.00 C ATOM 708 CG1 ILE A 422 104.686 -3.569 10.569 1.00 0.00 C ATOM 709 CG2 ILE A 422 103.104 -4.252 12.413 1.00 0.00 C ATOM 710 CD1 ILE A 422 105.440 -2.700 11.513 1.00 0.00 C ATOM 0 H ILE A 422 104.044 -5.731 8.767 1.00 0.00 H new ATOM 0 HA ILE A 422 101.693 -5.209 10.405 1.00 0.00 H new ATOM 0 HB ILE A 422 102.700 -2.840 10.898 1.00 0.00 H new ATOM 0 HG12 ILE A 422 105.184 -4.537 10.507 1.00 0.00 H new ATOM 0 HG13 ILE A 422 104.725 -3.126 9.574 1.00 0.00 H new ATOM 0 HG21 ILE A 422 103.592 -3.531 13.069 1.00 0.00 H new ATOM 0 HG22 ILE A 422 102.049 -4.327 12.677 1.00 0.00 H new ATOM 0 HG23 ILE A 422 103.577 -5.227 12.529 1.00 0.00 H new ATOM 0 HD11 ILE A 422 106.468 -2.594 11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 422 104.969 -1.718 11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 422 105.435 -3.151 12.505 1.00 0.00 H new ATOM 722 N GLY A 423 103.038 -3.545 7.865 1.00 0.00 N ATOM 723 CA GLY A 423 102.699 -2.737 6.714 1.00 0.00 C ATOM 724 C GLY A 423 103.108 -3.388 5.416 1.00 0.00 C ATOM 725 O GLY A 423 102.244 -3.814 4.663 1.00 0.00 O ATOM 0 H GLY A 423 104.032 -3.752 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 423 101.624 -2.556 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 423 103.185 -1.765 6.799 1.00 0.00 H new ATOM 729 N CYS A 424 104.412 -3.437 5.161 1.00 0.00 N ATOM 730 CA CYS A 424 105.087 -4.027 3.981 1.00 0.00 C ATOM 731 C CYS A 424 104.311 -5.143 3.263 1.00 0.00 C ATOM 732 O CYS A 424 104.194 -6.259 3.776 1.00 0.00 O ATOM 733 CB CYS A 424 106.440 -4.541 4.464 1.00 0.00 C ATOM 734 SG CYS A 424 107.305 -3.410 5.640 1.00 0.00 S ATOM 0 H CYS A 424 105.086 -3.039 5.815 1.00 0.00 H new ATOM 0 HA CYS A 424 105.173 -3.248 3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 424 106.297 -5.508 4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 424 107.082 -4.708 3.599 1.00 0.00 H new ATOM 739 N PRO A 425 103.707 -4.809 2.092 1.00 0.00 N ATOM 740 CA PRO A 425 102.982 -5.760 1.258 1.00 0.00 C ATOM 741 C PRO A 425 103.871 -6.451 0.215 1.00 0.00 C ATOM 742 O PRO A 425 103.533 -7.545 -0.248 1.00 0.00 O ATOM 743 CB PRO A 425 101.972 -4.860 0.510 1.00 0.00 C ATOM 744 CG PRO A 425 102.211 -3.469 1.001 1.00 0.00 C ATOM 745 CD PRO A 425 103.584 -3.458 1.545 1.00 0.00 C ATOM 0 HA PRO A 425 102.551 -6.559 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 425 102.119 -4.923 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 425 100.948 -5.173 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 425 102.107 -2.746 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 425 101.486 -3.196 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 425 104.327 -3.262 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 425 103.713 -2.694 2.312 1.00 0.00 H new ATOM 753 N SER A 426 105.041 -5.843 -0.086 1.00 0.00 N ATOM 754 CA SER A 426 105.895 -6.268 -1.201 1.00 0.00 C ATOM 755 C SER A 426 107.047 -5.282 -1.521 1.00 0.00 C ATOM 756 O SER A 426 107.778 -5.495 -2.501 1.00 0.00 O ATOM 757 CB SER A 426 105.066 -6.529 -2.479 1.00 0.00 C ATOM 758 OG SER A 426 104.179 -5.441 -2.764 1.00 0.00 O ATOM 0 H SER A 426 105.411 -5.050 0.438 1.00 0.00 H new ATOM 0 HA SER A 426 106.355 -7.197 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 426 105.737 -6.683 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 426 104.490 -7.447 -2.359 1.00 0.00 H new ATOM 0 HG SER A 426 103.671 -5.638 -3.579 1.00 0.00 H new ATOM 764 N CYS A 427 107.221 -4.227 -0.738 1.00 0.00 N ATOM 765 CA CYS A 427 108.254 -3.248 -1.050 1.00 0.00 C ATOM 766 C CYS A 427 109.524 -3.351 -0.118 1.00 0.00 C ATOM 767 O CYS A 427 109.628 -4.288 0.694 1.00 0.00 O ATOM 768 CB CYS A 427 107.586 -1.909 -0.984 1.00 0.00 C ATOM 769 SG CYS A 427 106.542 -1.719 0.489 1.00 0.00 S ATOM 0 H CYS A 427 106.674 -4.028 0.100 1.00 0.00 H new ATOM 0 HA CYS A 427 108.664 -3.431 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 427 108.346 -1.128 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 427 106.977 -1.767 -1.877 1.00 0.00 H new ATOM 774 N CYS A 428 110.511 -2.418 -0.288 1.00 0.00 N ATOM 775 CA CYS A 428 111.754 -2.399 0.540 1.00 0.00 C ATOM 776 C CYS A 428 111.607 -1.250 1.563 1.00 0.00 C ATOM 777 O CYS A 428 110.791 -0.380 1.321 1.00 0.00 O ATOM 778 CB CYS A 428 112.959 -2.137 -0.397 1.00 0.00 C ATOM 779 SG CYS A 428 114.568 -2.821 0.161 1.00 0.00 S ATOM 0 H CYS A 428 110.468 -1.676 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 428 111.911 -3.343 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 428 112.729 -2.553 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 428 113.068 -1.060 -0.525 1.00 0.00 H new ATOM 784 N PRO A 429 112.368 -1.217 2.726 1.00 0.00 N ATOM 785 CA PRO A 429 112.185 -0.173 3.741 1.00 0.00 C ATOM 786 C PRO A 429 112.660 1.244 3.305 1.00 0.00 C ATOM 787 O PRO A 429 112.099 1.824 2.378 1.00 0.00 O ATOM 788 CB PRO A 429 112.963 -0.706 4.955 1.00 0.00 C ATOM 789 CG PRO A 429 114.008 -1.575 4.390 1.00 0.00 C ATOM 790 CD PRO A 429 113.435 -2.168 3.143 1.00 0.00 C ATOM 0 HA PRO A 429 111.128 -0.006 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 429 113.398 0.109 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 429 112.310 -1.261 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 429 114.910 -1.005 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 429 114.289 -2.355 5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 429 114.196 -2.273 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 429 113.029 -3.162 3.328 1.00 0.00 H new ATOM 798 N PHE A 430 113.698 1.787 3.953 1.00 0.00 N ATOM 799 CA PHE A 430 114.166 3.128 3.665 1.00 0.00 C ATOM 800 C PHE A 430 115.453 3.385 4.450 1.00 0.00 C ATOM 801 O PHE A 430 115.934 2.491 5.154 1.00 0.00 O ATOM 802 CB PHE A 430 113.110 4.164 4.076 1.00 0.00 C ATOM 803 CG PHE A 430 112.780 5.190 3.014 1.00 0.00 C ATOM 804 CD1 PHE A 430 111.857 4.900 2.022 1.00 0.00 C ATOM 805 CD2 PHE A 430 113.374 6.440 3.019 1.00 0.00 C ATOM 806 CE1 PHE A 430 111.540 5.831 1.056 1.00 0.00 C ATOM 807 CE2 PHE A 430 113.056 7.377 2.056 1.00 0.00 C ATOM 808 CZ PHE A 430 112.139 7.072 1.075 1.00 0.00 C ATOM 0 H PHE A 430 114.225 1.307 4.682 1.00 0.00 H new ATOM 0 HA PHE A 430 114.351 3.218 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 430 112.195 3.640 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 430 113.460 4.684 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 430 111.379 3.931 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 430 114.095 6.685 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 430 110.823 5.588 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 430 113.526 8.349 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 430 111.890 7.804 0.321 1.00 0.00 H new ATOM 818 N GLU A 431 115.996 4.597 4.332 1.00 0.00 N ATOM 819 CA GLU A 431 117.186 5.023 5.077 1.00 0.00 C ATOM 820 C GLU A 431 118.433 4.229 4.684 1.00 0.00 C ATOM 821 O GLU A 431 119.054 4.523 3.668 1.00 0.00 O ATOM 822 CB GLU A 431 116.929 4.984 6.600 1.00 0.00 C ATOM 823 CG GLU A 431 115.878 5.967 7.066 1.00 0.00 C ATOM 824 CD GLU A 431 116.304 7.396 6.896 1.00 0.00 C ATOM 825 OE1 GLU A 431 116.927 7.942 7.816 1.00 0.00 O ATOM 826 OE2 GLU A 431 116.013 8.010 5.848 1.00 0.00 O ATOM 0 H GLU A 431 115.622 5.317 3.714 1.00 0.00 H new ATOM 0 HA GLU A 431 117.387 6.059 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 431 116.622 3.977 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 431 117.863 5.190 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 431 114.956 5.798 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 431 115.654 5.782 8.116 1.00 0.00 H new ATOM 833 N CYS A 432 118.754 3.220 5.478 1.00 0.00 N ATOM 834 CA CYS A 432 119.877 2.282 5.282 1.00 0.00 C ATOM 835 C CYS A 432 121.273 2.923 5.370 1.00 0.00 C ATOM 836 O CYS A 432 122.046 2.628 6.282 1.00 0.00 O ATOM 837 CB CYS A 432 119.744 1.540 3.965 1.00 0.00 C ATOM 838 SG CYS A 432 120.741 0.057 3.839 1.00 0.00 S ATOM 0 H CYS A 432 118.220 3.012 6.322 1.00 0.00 H new ATOM 0 HA CYS A 432 119.804 1.587 6.119 1.00 0.00 H new ATOM 0 HB2 CYS A 432 118.698 1.272 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 432 120.017 2.215 3.154 1.00 0.00 H new ATOM 843 N SER A 433 121.543 3.840 4.493 1.00 0.00 N ATOM 844 CA SER A 433 122.866 4.368 4.277 1.00 0.00 C ATOM 845 C SER A 433 122.688 5.788 3.718 1.00 0.00 C ATOM 846 O SER A 433 121.536 6.236 3.605 1.00 0.00 O ATOM 847 CB SER A 433 123.596 3.452 3.268 1.00 0.00 C ATOM 848 OG SER A 433 123.677 2.104 3.738 1.00 0.00 O ATOM 0 H SER A 433 120.835 4.257 3.889 1.00 0.00 H new ATOM 0 HA SER A 433 123.459 4.405 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 433 123.072 3.473 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 433 124.600 3.836 3.089 1.00 0.00 H new ATOM 0 HG SER A 433 123.839 1.503 2.981 1.00 0.00 H new ATOM 854 N PRO A 434 123.767 6.558 3.427 1.00 0.00 N ATOM 855 CA PRO A 434 123.620 7.878 2.813 1.00 0.00 C ATOM 856 C PRO A 434 122.920 7.809 1.470 1.00 0.00 C ATOM 857 O PRO A 434 123.438 7.195 0.530 1.00 0.00 O ATOM 858 CB PRO A 434 125.052 8.350 2.599 1.00 0.00 C ATOM 859 CG PRO A 434 125.841 7.613 3.615 1.00 0.00 C ATOM 860 CD PRO A 434 125.190 6.263 3.721 1.00 0.00 C ATOM 0 HA PRO A 434 123.021 8.538 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 434 125.397 8.126 1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 434 125.139 9.428 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 434 126.885 7.524 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 434 125.830 8.131 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 434 125.611 5.554 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 434 125.316 5.830 4.713 1.00 0.00 H new ATOM 868 N ASP A 435 121.736 8.401 1.418 1.00 0.00 N ATOM 869 CA ASP A 435 120.917 8.526 0.177 1.00 0.00 C ATOM 870 C ASP A 435 120.450 7.160 -0.338 1.00 0.00 C ATOM 871 O ASP A 435 121.189 6.430 -0.989 1.00 0.00 O ATOM 872 CB ASP A 435 121.700 9.279 -0.911 1.00 0.00 C ATOM 873 CG ASP A 435 120.839 9.664 -2.100 1.00 0.00 C ATOM 874 OD1 ASP A 435 120.048 10.628 -1.985 1.00 0.00 O ATOM 875 OD2 ASP A 435 120.957 9.036 -3.173 1.00 0.00 O ATOM 0 H ASP A 435 121.293 8.820 2.236 1.00 0.00 H new ATOM 0 HA ASP A 435 120.025 9.100 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 435 122.137 10.179 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 435 122.526 8.656 -1.254 1.00 0.00 H new ATOM 880 N ASN A 436 119.232 6.818 -0.014 1.00 0.00 N ATOM 881 CA ASN A 436 118.662 5.516 -0.390 1.00 0.00 C ATOM 882 C ASN A 436 118.016 5.406 -1.814 1.00 0.00 C ATOM 883 O ASN A 436 117.890 4.273 -2.302 1.00 0.00 O ATOM 884 CB ASN A 436 117.664 5.007 0.650 1.00 0.00 C ATOM 885 CG ASN A 436 116.324 5.735 0.650 1.00 0.00 C ATOM 886 OD1 ASN A 436 116.187 6.781 1.290 1.00 0.00 O ATOM 887 ND2 ASN A 436 115.316 5.169 0.017 1.00 0.00 N ATOM 0 H ASN A 436 118.597 7.416 0.514 1.00 0.00 H new ATOM 0 HA ASN A 436 119.549 4.884 -0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 436 117.487 3.946 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 436 118.112 5.097 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 436 114.390 5.596 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 436 115.462 4.304 -0.504 1.00 0.00 H new ATOM 894 N PRO A 437 117.534 6.520 -2.496 1.00 0.00 N ATOM 895 CA PRO A 437 116.919 6.406 -3.835 1.00 0.00 C ATOM 896 C PRO A 437 117.810 5.712 -4.875 1.00 0.00 C ATOM 897 O PRO A 437 119.045 5.615 -4.722 1.00 0.00 O ATOM 898 CB PRO A 437 116.660 7.860 -4.239 1.00 0.00 C ATOM 899 CG PRO A 437 116.491 8.557 -2.947 1.00 0.00 C ATOM 900 CD PRO A 437 117.497 7.928 -2.041 1.00 0.00 C ATOM 0 HA PRO A 437 116.024 5.785 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 437 117.492 8.271 -4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 437 115.770 7.950 -4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 437 116.666 9.628 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 437 115.479 8.434 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 437 118.473 8.405 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 437 117.200 8.005 -0.995 1.00 0.00 H new ATOM 908 N MET A 438 117.191 5.282 -5.946 1.00 0.00 N ATOM 909 CA MET A 438 117.870 4.552 -6.976 1.00 0.00 C ATOM 910 C MET A 438 117.173 4.761 -8.306 1.00 0.00 C ATOM 911 O MET A 438 115.940 4.743 -8.387 1.00 0.00 O ATOM 912 CB MET A 438 117.877 3.053 -6.632 1.00 0.00 C ATOM 913 CG MET A 438 118.564 2.165 -7.665 1.00 0.00 C ATOM 914 SD MET A 438 118.379 0.402 -7.309 1.00 0.00 S ATOM 915 CE MET A 438 116.591 0.232 -7.389 1.00 0.00 C ATOM 0 H MET A 438 116.198 5.431 -6.124 1.00 0.00 H new ATOM 0 HA MET A 438 118.896 4.914 -7.048 1.00 0.00 H new ATOM 0 HB2 MET A 438 118.371 2.917 -5.670 1.00 0.00 H new ATOM 0 HB3 MET A 438 116.847 2.717 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 438 118.151 2.377 -8.651 1.00 0.00 H new ATOM 0 HG3 MET A 438 119.625 2.414 -7.703 1.00 0.00 H new ATOM 0 HE1 MET A 438 116.333 -0.806 -7.600 1.00 0.00 H new ATOM 0 HE2 MET A 438 116.154 0.528 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 438 116.200 0.871 -8.181 1.00 0.00 H new ATOM 925 N PHE A 439 117.958 4.985 -9.322 1.00 0.00 N ATOM 926 CA PHE A 439 117.497 5.133 -10.669 1.00 0.00 C ATOM 927 C PHE A 439 118.687 4.787 -11.538 1.00 0.00 C ATOM 928 O PHE A 439 119.823 4.897 -11.061 1.00 0.00 O ATOM 929 CB PHE A 439 117.000 6.569 -10.941 1.00 0.00 C ATOM 930 CG PHE A 439 116.181 6.698 -12.206 1.00 0.00 C ATOM 931 CD1 PHE A 439 114.823 6.412 -12.190 1.00 0.00 C ATOM 932 CD2 PHE A 439 116.760 7.094 -13.403 1.00 0.00 C ATOM 933 CE1 PHE A 439 114.063 6.518 -13.338 1.00 0.00 C ATOM 934 CE2 PHE A 439 116.005 7.202 -14.553 1.00 0.00 C ATOM 935 CZ PHE A 439 114.655 6.914 -14.521 1.00 0.00 C ATOM 0 H PHE A 439 118.970 5.072 -9.229 1.00 0.00 H new ATOM 0 HA PHE A 439 116.645 4.485 -10.876 1.00 0.00 H new ATOM 0 HB2 PHE A 439 116.400 6.903 -10.094 1.00 0.00 H new ATOM 0 HB3 PHE A 439 117.860 7.236 -11.005 1.00 0.00 H new ATOM 0 HD1 PHE A 439 114.354 6.102 -11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 439 117.815 7.321 -13.435 1.00 0.00 H new ATOM 0 HE1 PHE A 439 113.007 6.292 -13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 439 116.470 7.512 -15.477 1.00 0.00 H new ATOM 0 HZ PHE A 439 114.063 6.998 -15.420 1.00 0.00 H new ATOM 945 N THR A 440 118.433 4.389 -12.770 1.00 0.00 N ATOM 946 CA THR A 440 119.453 3.894 -13.682 1.00 0.00 C ATOM 947 C THR A 440 119.993 2.535 -13.170 1.00 0.00 C ATOM 948 O THR A 440 121.006 2.468 -12.483 1.00 0.00 O ATOM 949 CB THR A 440 120.612 4.914 -13.908 1.00 0.00 C ATOM 950 OG1 THR A 440 120.054 6.180 -14.336 1.00 0.00 O ATOM 951 CG2 THR A 440 121.580 4.413 -14.984 1.00 0.00 C ATOM 0 H THR A 440 117.497 4.400 -13.175 1.00 0.00 H new ATOM 0 HA THR A 440 118.985 3.754 -14.656 1.00 0.00 H new ATOM 0 HB THR A 440 121.157 5.031 -12.971 1.00 0.00 H new ATOM 0 HG1 THR A 440 120.778 6.825 -14.478 1.00 0.00 H new ATOM 0 HG21 THR A 440 122.379 5.142 -15.123 1.00 0.00 H new ATOM 0 HG22 THR A 440 122.008 3.460 -14.673 1.00 0.00 H new ATOM 0 HG23 THR A 440 121.043 4.280 -15.923 1.00 0.00 H new ATOM 959 N PRO A 441 119.253 1.445 -13.442 1.00 0.00 N ATOM 960 CA PRO A 441 119.616 0.119 -12.998 1.00 0.00 C ATOM 961 C PRO A 441 120.415 -0.619 -14.085 1.00 0.00 C ATOM 962 O PRO A 441 121.222 0.017 -14.765 1.00 0.00 O ATOM 963 CB PRO A 441 118.232 -0.511 -12.746 1.00 0.00 C ATOM 964 CG PRO A 441 117.252 0.285 -13.570 1.00 0.00 C ATOM 965 CD PRO A 441 118.016 1.410 -14.217 1.00 0.00 C ATOM 0 HA PRO A 441 120.264 0.089 -12.122 1.00 0.00 H new ATOM 0 HB2 PRO A 441 118.223 -1.561 -13.038 1.00 0.00 H new ATOM 0 HB3 PRO A 441 117.973 -0.472 -11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 441 116.785 -0.346 -14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 441 116.451 0.676 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 441 118.205 1.216 -15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 441 117.474 2.354 -14.158 1.00 0.00 H new ATOM 973 N SER A 442 120.153 -1.932 -14.261 1.00 0.00 N ATOM 974 CA SER A 442 120.870 -2.830 -15.174 1.00 0.00 C ATOM 975 C SER A 442 122.264 -3.175 -14.607 1.00 0.00 C ATOM 976 O SER A 442 122.967 -2.299 -14.128 1.00 0.00 O ATOM 977 CB SER A 442 120.980 -2.240 -16.601 1.00 0.00 C ATOM 978 OG SER A 442 119.708 -1.805 -17.072 1.00 0.00 O ATOM 0 H SER A 442 119.409 -2.407 -13.750 1.00 0.00 H new ATOM 0 HA SER A 442 120.290 -3.749 -15.255 1.00 0.00 H new ATOM 0 HB2 SER A 442 121.677 -1.402 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 442 121.386 -2.991 -17.279 1.00 0.00 H new ATOM 0 HG SER A 442 119.802 -1.435 -17.974 1.00 0.00 H new ATOM 984 N PRO A 443 122.699 -4.460 -14.655 1.00 0.00 N ATOM 985 CA PRO A 443 124.054 -4.860 -14.195 1.00 0.00 C ATOM 986 C PRO A 443 125.135 -4.348 -15.173 1.00 0.00 C ATOM 987 O PRO A 443 126.344 -4.452 -14.936 1.00 0.00 O ATOM 988 CB PRO A 443 123.999 -6.398 -14.210 1.00 0.00 C ATOM 989 CG PRO A 443 122.548 -6.732 -14.299 1.00 0.00 C ATOM 990 CD PRO A 443 121.926 -5.628 -15.095 1.00 0.00 C ATOM 0 HA PRO A 443 124.309 -4.451 -13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 443 124.550 -6.804 -15.058 1.00 0.00 H new ATOM 0 HB3 PRO A 443 124.446 -6.818 -13.309 1.00 0.00 H new ATOM 0 HG2 PRO A 443 122.397 -7.697 -14.783 1.00 0.00 H new ATOM 0 HG3 PRO A 443 122.100 -6.800 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 443 122.018 -5.797 -16.168 1.00 0.00 H new ATOM 0 HD3 PRO A 443 120.863 -5.518 -14.879 1.00 0.00 H new ATOM 998 N ASP A 444 124.645 -3.787 -16.262 1.00 0.00 N ATOM 999 CA ASP A 444 125.504 -3.143 -17.324 1.00 0.00 C ATOM 1000 C ASP A 444 125.078 -1.693 -17.449 1.00 0.00 C ATOM 1001 O ASP A 444 125.509 -0.959 -18.326 1.00 0.00 O ATOM 1002 CB ASP A 444 125.420 -3.848 -18.739 1.00 0.00 C ATOM 1003 CG ASP A 444 126.656 -3.586 -19.586 1.00 0.00 C ATOM 1004 OD1 ASP A 444 127.688 -4.261 -19.378 1.00 0.00 O ATOM 1005 OD2 ASP A 444 126.603 -2.747 -20.505 1.00 0.00 O ATOM 0 H ASP A 444 123.646 -3.748 -16.466 1.00 0.00 H new ATOM 0 HA ASP A 444 126.543 -3.240 -17.010 1.00 0.00 H new ATOM 0 HB2 ASP A 444 125.297 -4.922 -18.601 1.00 0.00 H new ATOM 0 HB3 ASP A 444 124.536 -3.492 -19.269 1.00 0.00 H new ATOM 1010 N GLY A 445 124.236 -1.297 -16.522 1.00 0.00 N ATOM 1011 CA GLY A 445 123.639 0.034 -16.507 1.00 0.00 C ATOM 1012 C GLY A 445 124.606 1.198 -16.444 1.00 0.00 C ATOM 1013 O GLY A 445 124.353 2.241 -17.039 1.00 0.00 O ATOM 0 H GLY A 445 123.939 -1.889 -15.747 1.00 0.00 H new ATOM 0 HA2 GLY A 445 123.026 0.145 -17.402 1.00 0.00 H new ATOM 0 HA3 GLY A 445 122.968 0.099 -15.651 1.00 0.00 H new ATOM 1017 N SER A 446 125.692 1.034 -15.758 1.00 0.00 N ATOM 1018 CA SER A 446 126.636 2.109 -15.555 1.00 0.00 C ATOM 1019 C SER A 446 128.026 1.587 -15.482 1.00 0.00 C ATOM 1020 O SER A 446 128.211 0.371 -15.354 1.00 0.00 O ATOM 1021 CB SER A 446 126.356 2.757 -14.172 1.00 0.00 C ATOM 1022 OG SER A 446 125.156 3.525 -14.166 1.00 0.00 O ATOM 0 H SER A 446 125.958 0.153 -15.318 1.00 0.00 H new ATOM 0 HA SER A 446 126.531 2.811 -16.382 1.00 0.00 H new ATOM 0 HB2 SER A 446 126.288 1.976 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 446 127.195 3.396 -13.897 1.00 0.00 H new ATOM 0 HG SER A 446 125.020 3.912 -13.276 1.00 0.00 H new ATOM 1028 N PRO A 447 129.038 2.498 -15.644 1.00 0.00 N ATOM 1029 CA PRO A 447 130.418 2.184 -15.338 1.00 0.00 C ATOM 1030 C PRO A 447 130.437 1.686 -13.908 1.00 0.00 C ATOM 1031 O PRO A 447 130.134 2.449 -12.973 1.00 0.00 O ATOM 1032 CB PRO A 447 131.131 3.541 -15.438 1.00 0.00 C ATOM 1033 CG PRO A 447 130.313 4.306 -16.411 1.00 0.00 C ATOM 1034 CD PRO A 447 128.895 3.876 -16.171 1.00 0.00 C ATOM 0 HA PRO A 447 130.879 1.437 -15.984 1.00 0.00 H new ATOM 0 HB2 PRO A 447 131.173 4.042 -14.471 1.00 0.00 H new ATOM 0 HB3 PRO A 447 132.159 3.427 -15.783 1.00 0.00 H new ATOM 0 HG2 PRO A 447 130.428 5.380 -16.261 1.00 0.00 H new ATOM 0 HG3 PRO A 447 130.620 4.092 -17.435 1.00 0.00 H new ATOM 0 HD2 PRO A 447 128.393 4.529 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 447 128.308 3.896 -17.089 1.00 0.00 H new ATOM 1042 N PRO A 448 130.695 0.390 -13.721 1.00 0.00 N ATOM 1043 CA PRO A 448 130.570 -0.275 -12.428 1.00 0.00 C ATOM 1044 C PRO A 448 131.405 0.361 -11.333 1.00 0.00 C ATOM 1045 O PRO A 448 131.010 0.329 -10.178 1.00 0.00 O ATOM 1046 CB PRO A 448 131.045 -1.703 -12.695 1.00 0.00 C ATOM 1047 CG PRO A 448 130.866 -1.893 -14.152 1.00 0.00 C ATOM 1048 CD PRO A 448 131.109 -0.549 -14.770 1.00 0.00 C ATOM 0 HA PRO A 448 129.545 -0.211 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 448 132.087 -1.835 -12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 448 130.461 -2.427 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 448 131.566 -2.634 -14.539 1.00 0.00 H new ATOM 0 HG3 PRO A 448 129.863 -2.253 -14.379 1.00 0.00 H new ATOM 0 HD2 PRO A 448 132.157 -0.414 -15.039 1.00 0.00 H new ATOM 0 HD3 PRO A 448 130.526 -0.415 -15.681 1.00 0.00 H new ATOM 1056 N ASN A 449 132.542 0.941 -11.733 1.00 0.00 N ATOM 1057 CA ASN A 449 133.524 1.615 -10.857 1.00 0.00 C ATOM 1058 C ASN A 449 134.182 0.644 -9.880 1.00 0.00 C ATOM 1059 O ASN A 449 133.880 -0.546 -9.900 1.00 0.00 O ATOM 1060 CB ASN A 449 132.995 2.952 -10.182 1.00 0.00 C ATOM 1061 CG ASN A 449 131.959 2.848 -9.022 1.00 0.00 C ATOM 1062 OD1 ASN A 449 132.113 1.917 -8.107 1.00 0.00 O flip ATOM 1063 ND2 ASN A 449 131.053 3.684 -8.929 1.00 0.00 N flip ATOM 0 H ASN A 449 132.820 0.958 -12.714 1.00 0.00 H new ATOM 0 HA ASN A 449 134.317 1.965 -11.518 1.00 0.00 H new ATOM 0 HB2 ASN A 449 133.861 3.496 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 449 132.552 3.565 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 449 130.945 4.401 -9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 449 130.413 3.657 -8.135 1.00 0.00 H new ATOM 1070 N CYS A 450 135.102 1.140 -9.053 1.00 0.00 N ATOM 1071 CA CYS A 450 135.828 0.295 -8.089 1.00 0.00 C ATOM 1072 C CYS A 450 136.622 -0.792 -8.790 1.00 0.00 C ATOM 1073 O CYS A 450 136.511 -1.983 -8.442 1.00 0.00 O ATOM 1074 CB CYS A 450 134.886 -0.318 -7.053 1.00 0.00 C ATOM 1075 SG CYS A 450 134.199 0.865 -5.865 1.00 0.00 S ATOM 0 H CYS A 450 135.367 2.125 -9.027 1.00 0.00 H new ATOM 0 HA CYS A 450 136.529 0.945 -7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 450 134.064 -0.809 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 450 135.424 -1.092 -6.505 1.00 0.00 H new ATOM 1080 N SER A 451 137.416 -0.343 -9.768 1.00 0.00 N ATOM 1081 CA SER A 451 138.293 -1.119 -10.620 1.00 0.00 C ATOM 1082 C SER A 451 137.718 -1.443 -12.025 1.00 0.00 C ATOM 1083 O SER A 451 138.345 -1.070 -13.008 1.00 0.00 O ATOM 1084 CB SER A 451 138.959 -2.299 -9.937 1.00 0.00 C ATOM 1085 OG SER A 451 139.619 -1.902 -8.729 1.00 0.00 O ATOM 0 H SER A 451 137.458 0.651 -9.993 1.00 0.00 H new ATOM 0 HA SER A 451 139.113 -0.431 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 451 138.212 -3.060 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 451 139.681 -2.753 -10.615 1.00 0.00 H new ATOM 0 HG SER A 451 140.036 -2.684 -8.312 1.00 0.00 H new ATOM 1091 N PRO A 452 136.547 -2.130 -12.203 1.00 0.00 N ATOM 1092 CA PRO A 452 135.984 -2.315 -13.533 1.00 0.00 C ATOM 1093 C PRO A 452 135.381 -1.013 -14.051 1.00 0.00 C ATOM 1094 O PRO A 452 134.186 -0.795 -13.945 1.00 0.00 O ATOM 1095 CB PRO A 452 134.899 -3.394 -13.362 1.00 0.00 C ATOM 1096 CG PRO A 452 135.112 -3.937 -11.991 1.00 0.00 C ATOM 1097 CD PRO A 452 135.734 -2.824 -11.205 1.00 0.00 C ATOM 0 HA PRO A 452 136.741 -2.612 -14.259 1.00 0.00 H new ATOM 0 HB2 PRO A 452 133.900 -2.971 -13.469 1.00 0.00 H new ATOM 0 HB3 PRO A 452 134.996 -4.175 -14.116 1.00 0.00 H new ATOM 0 HG2 PRO A 452 134.169 -4.252 -11.544 1.00 0.00 H new ATOM 0 HG3 PRO A 452 135.762 -4.811 -12.013 1.00 0.00 H new ATOM 0 HD2 PRO A 452 134.981 -2.167 -10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 452 136.341 -3.201 -10.382 1.00 0.00 H new ATOM 1105 N THR A 453 136.268 -0.160 -14.525 1.00 0.00 N ATOM 1106 CA THR A 453 136.055 1.205 -15.070 1.00 0.00 C ATOM 1107 C THR A 453 137.430 1.890 -15.141 1.00 0.00 C ATOM 1108 O THR A 453 137.632 2.839 -15.913 1.00 0.00 O ATOM 1109 CB THR A 453 135.008 2.111 -14.267 1.00 0.00 C ATOM 1110 OG1 THR A 453 133.677 1.608 -14.412 1.00 0.00 O ATOM 1111 CG2 THR A 453 135.011 3.570 -14.717 1.00 0.00 C ATOM 0 H THR A 453 137.256 -0.411 -14.549 1.00 0.00 H new ATOM 0 HA THR A 453 135.597 1.095 -16.053 1.00 0.00 H new ATOM 0 HB THR A 453 135.326 2.067 -13.225 1.00 0.00 H new ATOM 0 HG1 THR A 453 133.680 0.635 -14.292 1.00 0.00 H new ATOM 0 HG21 THR A 453 134.280 4.132 -14.135 1.00 0.00 H new ATOM 0 HG22 THR A 453 136.002 3.996 -14.563 1.00 0.00 H new ATOM 0 HG23 THR A 453 134.752 3.625 -15.774 1.00 0.00 H new