USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 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= -0.37 K(o=-0.37,f=-4.9!) USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -109:sc= -0.374 (180deg=-1.3!) USER MOD Single : A 397 SER OG : rot -43:sc= -0.328 USER MOD Single : A 399 SER OG : rot 3:sc= 0.649 USER MOD Single : A 406 THR OG1 : rot 110:sc= -1 USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0.0094) USER MOD Single : A 420 ASN : amide:sc= -0.804 K(o=-0.8,f=-2.7!) USER MOD Single : A 421 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 105:sc= 1.26 USER MOD Single : A 436 ASN : amide:sc= 0.212 X(o=0.21,f=-0.25!) USER MOD Single : A 438 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 24:sc= 0.952 USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 18:sc= 0.0233 USER MOD Single : A 449 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.39) USER MOD Single : A 451 SER OG : rot 180:sc= 0 USER MOD Single : A 453 THR OG1 : rot 61:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 52 N GLN A 376 127.351 6.719 9.885 1.00 0.00 N ATOM 53 CA GLN A 376 126.691 6.169 8.723 1.00 0.00 C ATOM 54 C GLN A 376 127.540 6.329 7.454 1.00 0.00 C ATOM 55 O GLN A 376 128.125 5.339 7.008 1.00 0.00 O ATOM 56 CB GLN A 376 125.240 6.684 8.514 1.00 0.00 C ATOM 57 CG GLN A 376 124.122 5.948 9.248 1.00 0.00 C ATOM 58 CD GLN A 376 123.907 4.524 8.741 1.00 0.00 C ATOM 59 OE1 GLN A 376 124.838 3.835 8.330 1.00 0.00 O ATOM 60 NE2 GLN A 376 122.673 4.106 8.677 1.00 0.00 N ATOM 0 HA GLN A 376 126.592 5.103 8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 376 125.208 7.731 8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 376 125.021 6.651 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 376 124.354 5.917 10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 376 123.194 6.509 9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 376 121.916 4.695 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 376 122.465 3.190 8.280 1.00 0.00 H new ATOM 69 N PRO A 377 127.678 7.577 6.854 1.00 0.00 N ATOM 70 CA PRO A 377 128.373 7.753 5.589 1.00 0.00 C ATOM 71 C PRO A 377 129.887 7.484 5.654 1.00 0.00 C ATOM 72 O PRO A 377 130.700 8.398 5.779 1.00 0.00 O ATOM 73 CB PRO A 377 128.101 9.205 5.183 1.00 0.00 C ATOM 74 CG PRO A 377 127.685 9.904 6.424 1.00 0.00 C ATOM 75 CD PRO A 377 127.146 8.867 7.357 1.00 0.00 C ATOM 0 HA PRO A 377 128.006 7.025 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 377 128.992 9.665 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 377 127.320 9.259 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 377 128.530 10.424 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 377 126.927 10.656 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 377 127.468 9.053 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 377 126.056 8.869 7.361 1.00 0.00 H new ATOM 83 N SER A 378 130.243 6.237 5.632 1.00 0.00 N ATOM 84 CA SER A 378 131.621 5.842 5.611 1.00 0.00 C ATOM 85 C SER A 378 131.939 5.331 4.209 1.00 0.00 C ATOM 86 O SER A 378 133.034 5.533 3.707 1.00 0.00 O ATOM 87 CB SER A 378 131.865 4.776 6.678 1.00 0.00 C ATOM 88 OG SER A 378 131.258 5.183 7.903 1.00 0.00 O ATOM 0 H SER A 378 129.584 5.459 5.628 1.00 0.00 H new ATOM 0 HA SER A 378 132.278 6.681 5.839 1.00 0.00 H new ATOM 0 HB2 SER A 378 131.452 3.821 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 378 132.935 4.628 6.821 1.00 0.00 H new ATOM 0 HG SER A 378 131.412 4.499 8.588 1.00 0.00 H new ATOM 94 N ASP A 379 130.950 4.659 3.576 1.00 0.00 N ATOM 95 CA ASP A 379 131.085 4.273 2.135 1.00 0.00 C ATOM 96 C ASP A 379 131.213 5.522 1.287 1.00 0.00 C ATOM 97 O ASP A 379 132.303 5.908 0.865 1.00 0.00 O ATOM 98 CB ASP A 379 129.862 3.426 1.633 1.00 0.00 C ATOM 99 CG ASP A 379 129.811 3.260 0.133 1.00 0.00 C ATOM 100 OD1 ASP A 379 130.617 2.509 -0.442 1.00 0.00 O ATOM 101 OD2 ASP A 379 128.942 3.930 -0.481 1.00 0.00 O ATOM 0 H ASP A 379 130.074 4.376 4.015 1.00 0.00 H new ATOM 0 HA ASP A 379 131.978 3.655 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 379 129.899 2.441 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 379 128.940 3.902 1.968 1.00 0.00 H new ATOM 106 N CYS A 380 130.090 6.157 1.120 1.00 0.00 N ATOM 107 CA CYS A 380 129.911 7.355 0.360 1.00 0.00 C ATOM 108 C CYS A 380 128.444 7.606 0.327 1.00 0.00 C ATOM 109 O CYS A 380 127.966 8.598 0.870 1.00 0.00 O ATOM 110 CB CYS A 380 130.440 7.218 -1.074 1.00 0.00 C ATOM 111 SG CYS A 380 130.198 8.696 -2.120 1.00 0.00 S ATOM 0 H CYS A 380 129.220 5.829 1.539 1.00 0.00 H new ATOM 0 HA CYS A 380 130.467 8.173 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 380 131.505 6.988 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 380 129.948 6.369 -1.549 1.00 0.00 H new ATOM 116 N GLY A 381 127.711 6.650 -0.227 1.00 0.00 N ATOM 117 CA GLY A 381 126.297 6.817 -0.328 1.00 0.00 C ATOM 118 C GLY A 381 125.517 5.541 -0.195 1.00 0.00 C ATOM 119 O GLY A 381 124.313 5.546 -0.390 1.00 0.00 O ATOM 0 H GLY A 381 128.076 5.774 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 381 125.968 7.513 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 381 126.064 7.274 -1.290 1.00 0.00 H new ATOM 123 N GLU A 382 126.172 4.434 0.112 1.00 0.00 N ATOM 124 CA GLU A 382 125.407 3.238 0.384 1.00 0.00 C ATOM 125 C GLU A 382 124.949 3.267 1.834 1.00 0.00 C ATOM 126 O GLU A 382 123.896 2.771 2.196 1.00 0.00 O ATOM 127 CB GLU A 382 126.190 1.968 0.091 1.00 0.00 C ATOM 128 CG GLU A 382 125.379 0.709 0.359 1.00 0.00 C ATOM 129 CD GLU A 382 126.021 -0.548 -0.125 1.00 0.00 C ATOM 130 OE1 GLU A 382 125.782 -0.926 -1.275 1.00 0.00 O ATOM 131 OE2 GLU A 382 126.702 -1.246 0.657 1.00 0.00 O ATOM 0 H GLU A 382 127.186 4.341 0.177 1.00 0.00 H new ATOM 0 HA GLU A 382 124.544 3.225 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 382 126.511 1.975 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 382 127.092 1.952 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 382 125.204 0.625 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 382 124.403 0.811 -0.116 1.00 0.00 H new ATOM 138 N VAL A 383 125.728 3.913 2.654 1.00 0.00 N ATOM 139 CA VAL A 383 125.405 4.005 4.043 1.00 0.00 C ATOM 140 C VAL A 383 124.902 5.361 4.425 1.00 0.00 C ATOM 141 O VAL A 383 125.527 6.066 5.184 1.00 0.00 O ATOM 142 CB VAL A 383 126.497 3.530 5.025 1.00 0.00 C ATOM 143 CG1 VAL A 383 126.182 2.134 5.515 1.00 0.00 C ATOM 144 CG2 VAL A 383 127.863 3.570 4.386 1.00 0.00 C ATOM 0 H VAL A 383 126.591 4.383 2.381 1.00 0.00 H new ATOM 0 HA VAL A 383 124.597 3.282 4.152 1.00 0.00 H new ATOM 0 HB VAL A 383 126.509 4.211 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 383 126.958 1.808 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 383 125.219 2.136 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 383 126.142 1.451 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 383 128.610 3.230 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 383 127.875 2.918 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 383 128.092 4.591 4.080 1.00 0.00 H new ATOM 154 N ILE A 384 123.822 5.763 3.814 1.00 0.00 N ATOM 155 CA ILE A 384 123.201 7.041 4.120 1.00 0.00 C ATOM 156 C ILE A 384 121.673 6.880 4.176 1.00 0.00 C ATOM 157 O ILE A 384 120.937 7.322 3.286 1.00 0.00 O ATOM 158 CB ILE A 384 123.624 8.174 3.118 1.00 0.00 C ATOM 159 CG1 ILE A 384 123.389 7.752 1.652 1.00 0.00 C ATOM 160 CG2 ILE A 384 125.068 8.609 3.341 1.00 0.00 C ATOM 161 CD1 ILE A 384 123.657 8.856 0.644 1.00 0.00 C ATOM 0 H ILE A 384 123.343 5.224 3.093 1.00 0.00 H new ATOM 0 HA ILE A 384 123.559 7.358 5.099 1.00 0.00 H new ATOM 0 HB ILE A 384 122.986 9.035 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 384 124.029 6.900 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 384 122.358 7.415 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 384 125.325 9.394 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 384 125.181 8.988 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 384 125.731 7.756 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 384 123.470 8.483 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 384 122.999 9.701 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 384 124.695 9.178 0.724 1.00 0.00 H new ATOM 173 N GLU A 385 121.212 6.207 5.236 1.00 0.00 N ATOM 174 CA GLU A 385 119.803 5.766 5.413 1.00 0.00 C ATOM 175 C GLU A 385 119.226 5.018 4.240 1.00 0.00 C ATOM 176 O GLU A 385 118.008 4.861 4.121 1.00 0.00 O ATOM 177 CB GLU A 385 118.886 6.872 5.880 1.00 0.00 C ATOM 178 CG GLU A 385 118.518 6.696 7.327 1.00 0.00 C ATOM 179 CD GLU A 385 119.747 6.575 8.197 1.00 0.00 C ATOM 180 OE1 GLU A 385 120.379 7.606 8.483 1.00 0.00 O ATOM 181 OE2 GLU A 385 120.120 5.437 8.587 1.00 0.00 O ATOM 0 H GLU A 385 121.812 5.943 6.017 1.00 0.00 H new ATOM 0 HA GLU A 385 119.861 5.036 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 385 119.374 7.836 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 385 117.982 6.881 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 385 117.918 7.544 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 385 117.900 5.805 7.441 1.00 0.00 H new ATOM 188 N GLU A 386 120.098 4.524 3.419 1.00 0.00 N ATOM 189 CA GLU A 386 119.748 3.725 2.304 1.00 0.00 C ATOM 190 C GLU A 386 119.149 2.467 2.876 1.00 0.00 C ATOM 191 O GLU A 386 119.766 1.796 3.704 1.00 0.00 O ATOM 192 CB GLU A 386 121.023 3.428 1.520 1.00 0.00 C ATOM 193 CG GLU A 386 120.848 3.249 0.016 1.00 0.00 C ATOM 194 CD GLU A 386 119.975 4.316 -0.576 1.00 0.00 C ATOM 195 OE1 GLU A 386 120.396 5.479 -0.632 1.00 0.00 O ATOM 196 OE2 GLU A 386 118.824 4.018 -0.956 1.00 0.00 O ATOM 0 H GLU A 386 121.102 4.674 3.515 1.00 0.00 H new ATOM 0 HA GLU A 386 119.040 4.206 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 386 121.730 4.240 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 386 121.474 2.522 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 386 121.824 3.269 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 386 120.412 2.270 -0.185 1.00 0.00 H new ATOM 203 N CYS A 387 117.946 2.185 2.472 1.00 0.00 N ATOM 204 CA CYS A 387 117.210 1.040 2.957 1.00 0.00 C ATOM 205 C CYS A 387 117.786 -0.329 2.571 1.00 0.00 C ATOM 206 O CYS A 387 117.371 -1.292 3.194 1.00 0.00 O ATOM 207 CB CYS A 387 115.805 1.066 2.456 1.00 0.00 C ATOM 208 SG CYS A 387 115.667 0.892 0.677 1.00 0.00 S ATOM 0 H CYS A 387 117.437 2.746 1.789 1.00 0.00 H new ATOM 0 HA CYS A 387 117.277 1.137 4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 387 115.244 0.264 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 387 115.339 2.004 2.757 1.00 0.00 H new ATOM 213 N PRO A 388 118.653 -0.487 1.473 1.00 0.00 N ATOM 214 CA PRO A 388 119.202 -1.772 1.119 1.00 0.00 C ATOM 215 C PRO A 388 119.933 -2.500 2.305 1.00 0.00 C ATOM 216 O PRO A 388 119.285 -2.980 3.233 1.00 0.00 O ATOM 217 CB PRO A 388 120.133 -1.488 -0.093 1.00 0.00 C ATOM 218 CG PRO A 388 120.324 -0.018 -0.056 1.00 0.00 C ATOM 219 CD PRO A 388 119.046 0.509 0.468 1.00 0.00 C ATOM 0 HA PRO A 388 118.412 -2.479 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 388 121.082 -2.017 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 388 119.678 -1.809 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 388 121.160 0.257 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 388 120.540 0.379 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 388 119.170 1.498 0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 388 118.297 0.603 -0.319 1.00 0.00 H new ATOM 227 N ILE A 389 121.269 -2.623 2.265 1.00 0.00 N ATOM 228 CA ILE A 389 122.015 -3.247 3.382 1.00 0.00 C ATOM 229 C ILE A 389 121.526 -4.737 3.589 1.00 0.00 C ATOM 230 O ILE A 389 120.666 -5.282 2.841 1.00 0.00 O ATOM 231 CB ILE A 389 121.773 -2.387 4.726 1.00 0.00 C ATOM 232 CG1 ILE A 389 122.032 -0.889 4.497 1.00 0.00 C ATOM 233 CG2 ILE A 389 122.630 -2.845 5.927 1.00 0.00 C ATOM 234 CD1 ILE A 389 123.492 -0.565 4.220 1.00 0.00 C ATOM 0 H ILE A 389 121.851 -2.307 1.489 1.00 0.00 H new ATOM 0 HA ILE A 389 123.080 -3.261 3.150 1.00 0.00 H new ATOM 0 HB ILE A 389 120.725 -2.561 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 389 121.426 -0.547 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 389 121.704 -0.333 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 389 122.410 -2.218 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 389 122.399 -3.884 6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 389 123.687 -2.757 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 389 123.604 0.509 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 389 124.101 -0.877 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 389 123.819 -1.094 3.325 1.00 0.00 H new ATOM 246 N ASP A 390 122.036 -5.366 4.588 1.00 0.00 N ATOM 247 CA ASP A 390 121.620 -6.678 4.986 1.00 0.00 C ATOM 248 C ASP A 390 120.164 -6.683 5.491 1.00 0.00 C ATOM 249 O ASP A 390 119.581 -7.744 5.682 1.00 0.00 O ATOM 250 CB ASP A 390 122.574 -7.211 6.033 1.00 0.00 C ATOM 251 CG ASP A 390 122.532 -6.485 7.360 1.00 0.00 C ATOM 252 OD1 ASP A 390 121.676 -6.782 8.195 1.00 0.00 O ATOM 253 OD2 ASP A 390 123.401 -5.623 7.603 1.00 0.00 O ATOM 0 H ASP A 390 122.776 -4.977 5.172 1.00 0.00 H new ATOM 0 HA ASP A 390 121.648 -7.335 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 390 122.351 -8.264 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 390 123.589 -7.160 5.639 1.00 0.00 H new ATOM 258 N ALA A 391 119.576 -5.489 5.634 1.00 0.00 N ATOM 259 CA ALA A 391 118.190 -5.334 6.022 1.00 0.00 C ATOM 260 C ALA A 391 117.303 -5.612 4.819 1.00 0.00 C ATOM 261 O ALA A 391 116.138 -5.994 4.952 1.00 0.00 O ATOM 262 CB ALA A 391 117.935 -3.933 6.560 1.00 0.00 C ATOM 0 H ALA A 391 120.061 -4.605 5.480 1.00 0.00 H new ATOM 0 HA ALA A 391 117.958 -6.043 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 391 116.887 -3.838 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 391 118.566 -3.757 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 391 118.169 -3.199 5.789 1.00 0.00 H new ATOM 268 N CYS A 392 117.871 -5.421 3.639 1.00 0.00 N ATOM 269 CA CYS A 392 117.205 -5.735 2.379 1.00 0.00 C ATOM 270 C CYS A 392 117.458 -7.188 2.028 1.00 0.00 C ATOM 271 O CYS A 392 116.934 -7.700 1.036 1.00 0.00 O ATOM 272 CB CYS A 392 117.715 -4.822 1.275 1.00 0.00 C ATOM 273 SG CYS A 392 116.978 -5.028 -0.388 1.00 0.00 S ATOM 0 H CYS A 392 118.811 -5.042 3.525 1.00 0.00 H new ATOM 0 HA CYS A 392 116.132 -5.575 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 392 117.556 -3.790 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 392 118.792 -4.967 1.188 1.00 0.00 H new ATOM 278 N PHE A 393 118.354 -7.792 2.832 1.00 0.00 N ATOM 279 CA PHE A 393 118.761 -9.199 2.814 1.00 0.00 C ATOM 280 C PHE A 393 120.106 -9.320 2.167 1.00 0.00 C ATOM 281 O PHE A 393 120.187 -9.296 0.956 1.00 0.00 O ATOM 282 CB PHE A 393 117.749 -10.181 2.152 1.00 0.00 C ATOM 283 CG PHE A 393 116.471 -10.417 2.927 1.00 0.00 C ATOM 284 CD1 PHE A 393 116.449 -11.303 3.985 1.00 0.00 C ATOM 285 CD2 PHE A 393 115.296 -9.754 2.592 1.00 0.00 C ATOM 286 CE1 PHE A 393 115.286 -11.526 4.694 1.00 0.00 C ATOM 287 CE2 PHE A 393 114.133 -9.972 3.297 1.00 0.00 C ATOM 288 CZ PHE A 393 114.126 -10.859 4.350 1.00 0.00 C ATOM 0 H PHE A 393 118.842 -7.269 3.559 1.00 0.00 H new ATOM 0 HA PHE A 393 118.797 -9.507 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 393 117.490 -9.798 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 393 118.245 -11.140 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 393 117.352 -11.828 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 393 115.295 -9.058 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 393 115.283 -12.223 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 393 113.229 -9.448 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 393 113.216 -11.033 4.906 1.00 0.00 H new ATOM 298 N LEU A 394 121.193 -9.313 2.991 1.00 0.00 N ATOM 299 CA LEU A 394 122.576 -9.477 2.494 1.00 0.00 C ATOM 300 C LEU A 394 123.040 -8.175 1.851 1.00 0.00 C ATOM 301 O LEU A 394 122.233 -7.277 1.631 1.00 0.00 O ATOM 302 CB LEU A 394 122.702 -10.637 1.453 1.00 0.00 C ATOM 303 CG LEU A 394 122.677 -12.097 1.938 1.00 0.00 C ATOM 304 CD1 LEU A 394 121.351 -12.480 2.586 1.00 0.00 C ATOM 305 CD2 LEU A 394 122.972 -13.006 0.770 1.00 0.00 C ATOM 0 H LEU A 394 121.129 -9.195 4.002 1.00 0.00 H new ATOM 0 HA LEU A 394 123.202 -9.731 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 394 121.893 -10.518 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 394 123.636 -10.489 0.911 1.00 0.00 H new ATOM 0 HG LEU A 394 123.440 -12.208 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 394 121.391 -13.520 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 394 121.169 -11.839 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 394 120.544 -12.355 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 394 122.957 -14.044 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 394 122.217 -12.862 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 394 123.956 -12.770 0.365 1.00 0.00 H new ATOM 317 N PRO A 395 124.346 -7.994 1.591 1.00 0.00 N ATOM 318 CA PRO A 395 124.834 -6.847 0.838 1.00 0.00 C ATOM 319 C PRO A 395 124.397 -6.864 -0.619 1.00 0.00 C ATOM 320 O PRO A 395 125.222 -6.777 -1.483 1.00 0.00 O ATOM 321 CB PRO A 395 126.356 -6.948 0.908 1.00 0.00 C ATOM 322 CG PRO A 395 126.651 -8.329 1.354 1.00 0.00 C ATOM 323 CD PRO A 395 125.456 -8.798 2.123 1.00 0.00 C ATOM 0 HA PRO A 395 124.435 -5.924 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 395 126.806 -6.747 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 395 126.764 -6.217 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 395 126.841 -8.979 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 395 127.545 -8.352 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 395 125.281 -9.864 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 395 125.585 -8.640 3.194 1.00 0.00 H new ATOM 331 N LYS A 396 123.082 -6.925 -0.840 1.00 0.00 N ATOM 332 CA LYS A 396 122.369 -6.812 -2.138 1.00 0.00 C ATOM 333 C LYS A 396 123.068 -7.296 -3.413 1.00 0.00 C ATOM 334 O LYS A 396 122.720 -8.353 -3.972 1.00 0.00 O ATOM 335 CB LYS A 396 121.630 -5.472 -2.244 1.00 0.00 C ATOM 336 CG LYS A 396 122.260 -4.267 -1.515 1.00 0.00 C ATOM 337 CD LYS A 396 123.302 -3.507 -2.340 1.00 0.00 C ATOM 338 CE LYS A 396 124.728 -3.929 -2.036 1.00 0.00 C ATOM 339 NZ LYS A 396 125.245 -3.411 -0.778 1.00 0.00 N ATOM 0 H LYS A 396 122.430 -7.065 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 396 121.622 -7.604 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 396 121.537 -5.219 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 396 120.620 -5.611 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 396 121.467 -3.576 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 396 122.727 -4.618 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 396 123.102 -3.664 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 396 123.198 -2.439 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 396 124.777 -5.018 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 396 125.375 -3.596 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 125.962 -2.683 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 124.467 -2.993 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 125.676 -4.186 -0.234 1.00 0.00 H new ATOM 353 N SER A 397 124.051 -6.564 -3.826 1.00 0.00 N ATOM 354 CA SER A 397 124.891 -6.869 -4.944 1.00 0.00 C ATOM 355 C SER A 397 125.919 -7.935 -4.521 1.00 0.00 C ATOM 356 O SER A 397 126.922 -8.098 -5.142 1.00 0.00 O ATOM 357 CB SER A 397 125.596 -5.579 -5.417 1.00 0.00 C ATOM 358 OG SER A 397 126.316 -5.776 -6.620 1.00 0.00 O ATOM 0 H SER A 397 124.305 -5.688 -3.369 1.00 0.00 H new ATOM 0 HA SER A 397 124.299 -7.262 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 397 124.854 -4.794 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 397 126.277 -5.233 -4.640 1.00 0.00 H new ATOM 0 HG SER A 397 126.807 -6.623 -6.573 1.00 0.00 H new ATOM 364 N ASP A 398 125.619 -8.634 -3.437 1.00 0.00 N ATOM 365 CA ASP A 398 126.402 -9.773 -2.933 1.00 0.00 C ATOM 366 C ASP A 398 126.765 -10.748 -4.064 1.00 0.00 C ATOM 367 O ASP A 398 127.874 -10.735 -4.591 1.00 0.00 O ATOM 368 CB ASP A 398 125.635 -10.441 -1.730 1.00 0.00 C ATOM 369 CG ASP A 398 126.009 -11.885 -1.437 1.00 0.00 C ATOM 370 OD1 ASP A 398 126.951 -12.135 -0.668 1.00 0.00 O ATOM 371 OD2 ASP A 398 125.335 -12.787 -1.960 1.00 0.00 O ATOM 0 H ASP A 398 124.803 -8.426 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 398 127.360 -9.425 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 398 125.815 -9.848 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 398 124.565 -10.395 -1.933 1.00 0.00 H new ATOM 376 N SER A 399 125.856 -11.543 -4.428 1.00 0.00 N ATOM 377 CA SER A 399 125.942 -12.432 -5.532 1.00 0.00 C ATOM 378 C SER A 399 124.521 -12.767 -5.940 1.00 0.00 C ATOM 379 O SER A 399 124.230 -13.896 -6.324 1.00 0.00 O ATOM 380 CB SER A 399 126.713 -13.723 -5.181 1.00 0.00 C ATOM 381 OG SER A 399 128.073 -13.439 -4.838 1.00 0.00 O ATOM 0 H SER A 399 124.963 -11.607 -3.939 1.00 0.00 H new ATOM 0 HA SER A 399 126.492 -11.956 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 399 126.223 -14.227 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 399 126.685 -14.408 -6.028 1.00 0.00 H new ATOM 0 HG SER A 399 128.218 -12.470 -4.851 1.00 0.00 H new ATOM 387 N ALA A 400 123.641 -11.732 -5.829 1.00 0.00 N ATOM 388 CA ALA A 400 122.221 -11.794 -6.180 1.00 0.00 C ATOM 389 C ALA A 400 121.331 -12.302 -5.037 1.00 0.00 C ATOM 390 O ALA A 400 120.982 -13.490 -4.982 1.00 0.00 O ATOM 391 CB ALA A 400 121.949 -12.546 -7.488 1.00 0.00 C ATOM 0 H ALA A 400 123.922 -10.815 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 400 121.938 -10.756 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 400 120.877 -12.554 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 400 122.467 -12.049 -8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 400 122.309 -13.571 -7.400 1.00 0.00 H new ATOM 397 N ARG A 401 121.019 -11.412 -4.078 1.00 0.00 N ATOM 398 CA ARG A 401 120.148 -11.776 -2.948 1.00 0.00 C ATOM 399 C ARG A 401 118.705 -11.948 -3.390 1.00 0.00 C ATOM 400 O ARG A 401 118.382 -11.548 -4.521 1.00 0.00 O ATOM 401 CB ARG A 401 120.296 -10.770 -1.759 1.00 0.00 C ATOM 402 CG ARG A 401 120.137 -9.250 -2.036 1.00 0.00 C ATOM 403 CD ARG A 401 118.684 -8.700 -2.158 1.00 0.00 C ATOM 404 NE ARG A 401 118.081 -8.824 -3.498 1.00 0.00 N ATOM 405 CZ ARG A 401 117.389 -7.861 -4.171 1.00 0.00 C ATOM 406 NH1 ARG A 401 117.072 -6.696 -3.595 1.00 0.00 N ATOM 407 NH2 ARG A 401 116.946 -8.114 -5.396 1.00 0.00 N ATOM 0 H ARG A 401 121.352 -10.448 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 401 120.477 -12.746 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 401 119.562 -11.045 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 401 121.281 -10.923 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 401 120.639 -8.706 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 401 120.666 -9.017 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 401 118.052 -9.225 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 401 118.685 -7.648 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 401 118.193 -9.722 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 401 117.349 -6.512 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 401 116.554 -5.992 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 401 117.124 -9.022 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 401 116.427 -7.401 -5.908 1.00 0.00 H new ATOM 421 N PRO A 402 117.832 -12.594 -2.529 1.00 0.00 N ATOM 422 CA PRO A 402 116.392 -12.760 -2.764 1.00 0.00 C ATOM 423 C PRO A 402 115.765 -11.574 -3.514 1.00 0.00 C ATOM 424 O PRO A 402 116.129 -10.459 -3.289 1.00 0.00 O ATOM 425 CB PRO A 402 115.808 -12.863 -1.340 1.00 0.00 C ATOM 426 CG PRO A 402 116.980 -13.066 -0.418 1.00 0.00 C ATOM 427 CD PRO A 402 118.192 -13.279 -1.281 1.00 0.00 C ATOM 0 HA PRO A 402 116.187 -13.626 -3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 402 115.259 -11.958 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 402 115.106 -13.694 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 402 117.116 -12.199 0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 402 116.814 -13.925 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 402 119.088 -12.853 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 402 118.390 -14.338 -1.444 1.00 0.00 H new ATOM 435 N PRO A 403 114.783 -11.818 -4.362 1.00 0.00 N ATOM 436 CA PRO A 403 114.240 -10.806 -5.279 1.00 0.00 C ATOM 437 C PRO A 403 113.548 -9.614 -4.591 1.00 0.00 C ATOM 438 O PRO A 403 113.313 -9.598 -3.385 1.00 0.00 O ATOM 439 CB PRO A 403 113.247 -11.593 -6.113 1.00 0.00 C ATOM 440 CG PRO A 403 112.850 -12.706 -5.224 1.00 0.00 C ATOM 441 CD PRO A 403 114.060 -13.067 -4.446 1.00 0.00 C ATOM 0 HA PRO A 403 115.041 -10.333 -5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 403 112.390 -10.982 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 403 113.699 -11.958 -7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 403 112.038 -12.405 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 403 112.491 -13.557 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 403 113.804 -13.451 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 403 114.645 -13.838 -4.946 1.00 0.00 H new ATOM 449 N ASP A 404 113.166 -8.658 -5.386 1.00 0.00 N ATOM 450 CA ASP A 404 112.584 -7.382 -4.933 1.00 0.00 C ATOM 451 C ASP A 404 111.043 -7.369 -4.827 1.00 0.00 C ATOM 452 O ASP A 404 110.391 -6.412 -5.245 1.00 0.00 O ATOM 453 CB ASP A 404 113.007 -6.289 -5.889 1.00 0.00 C ATOM 454 CG ASP A 404 114.509 -6.016 -5.860 1.00 0.00 C ATOM 455 OD1 ASP A 404 115.011 -5.350 -4.928 1.00 0.00 O ATOM 456 OD2 ASP A 404 115.225 -6.554 -6.746 1.00 0.00 O ATOM 0 H ASP A 404 113.244 -8.725 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 404 112.959 -7.226 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 404 112.714 -6.567 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 404 112.472 -5.372 -5.642 1.00 0.00 H new ATOM 461 N CYS A 405 110.478 -8.438 -4.333 1.00 0.00 N ATOM 462 CA CYS A 405 109.023 -8.502 -3.965 1.00 0.00 C ATOM 463 C CYS A 405 108.057 -8.368 -5.113 1.00 0.00 C ATOM 464 O CYS A 405 107.537 -9.366 -5.570 1.00 0.00 O ATOM 465 CB CYS A 405 108.641 -7.523 -2.872 1.00 0.00 C ATOM 466 SG CYS A 405 108.951 -8.108 -1.182 1.00 0.00 S ATOM 0 H CYS A 405 110.983 -9.307 -4.161 1.00 0.00 H new ATOM 0 HA CYS A 405 108.924 -9.521 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 405 109.191 -6.595 -3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 405 107.582 -7.286 -2.970 1.00 0.00 H new ATOM 471 N THR A 406 107.722 -7.126 -5.518 1.00 0.00 N ATOM 472 CA THR A 406 106.938 -6.850 -6.737 1.00 0.00 C ATOM 473 C THR A 406 107.473 -7.710 -7.873 1.00 0.00 C ATOM 474 O THR A 406 106.734 -8.304 -8.654 1.00 0.00 O ATOM 475 CB THR A 406 107.123 -5.357 -7.097 1.00 0.00 C ATOM 476 OG1 THR A 406 106.473 -4.514 -6.143 1.00 0.00 O ATOM 477 CG2 THR A 406 106.684 -5.059 -8.508 1.00 0.00 C ATOM 0 H THR A 406 107.989 -6.285 -5.007 1.00 0.00 H new ATOM 0 HA THR A 406 105.883 -7.074 -6.576 1.00 0.00 H new ATOM 0 HB THR A 406 108.190 -5.138 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 406 107.147 -4.043 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 406 106.831 -4.000 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 406 107.274 -5.653 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 406 105.629 -5.308 -8.621 1.00 0.00 H new ATOM 485 N ALA A 407 108.754 -7.754 -7.867 1.00 0.00 N ATOM 486 CA ALA A 407 109.599 -8.554 -8.695 1.00 0.00 C ATOM 487 C ALA A 407 109.110 -10.055 -8.799 1.00 0.00 C ATOM 488 O ALA A 407 109.367 -10.712 -9.794 1.00 0.00 O ATOM 489 CB ALA A 407 110.967 -8.408 -8.076 1.00 0.00 C ATOM 0 H ALA A 407 109.295 -7.178 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 407 109.592 -8.226 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 407 111.689 -8.991 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 407 111.260 -7.358 -8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 407 110.941 -8.769 -7.048 1.00 0.00 H new ATOM 495 N VAL A 408 108.388 -10.559 -7.787 1.00 0.00 N ATOM 496 CA VAL A 408 107.845 -11.920 -7.799 1.00 0.00 C ATOM 497 C VAL A 408 106.309 -11.872 -7.773 1.00 0.00 C ATOM 498 O VAL A 408 105.643 -12.868 -8.047 1.00 0.00 O ATOM 499 CB VAL A 408 108.340 -12.751 -6.561 1.00 0.00 C ATOM 500 CG1 VAL A 408 109.787 -12.485 -6.298 1.00 0.00 C ATOM 501 CG2 VAL A 408 107.516 -12.507 -5.286 1.00 0.00 C ATOM 0 H VAL A 408 108.166 -10.034 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 408 108.197 -12.403 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 408 108.198 -13.799 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 408 110.114 -13.069 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 408 110.374 -12.768 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 408 109.930 -11.424 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 408 107.915 -13.114 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 408 107.571 -11.453 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 408 106.477 -12.781 -5.467 1.00 0.00 H new ATOM 511 N GLY A 409 105.766 -10.714 -7.436 1.00 0.00 N ATOM 512 CA GLY A 409 104.341 -10.600 -7.303 1.00 0.00 C ATOM 513 C GLY A 409 103.883 -10.078 -5.946 1.00 0.00 C ATOM 514 O GLY A 409 102.774 -10.356 -5.524 1.00 0.00 O ATOM 0 H GLY A 409 106.289 -9.857 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 409 103.966 -9.935 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 409 103.891 -11.578 -7.475 1.00 0.00 H new ATOM 518 N ARG A 410 104.753 -9.396 -5.225 1.00 0.00 N ATOM 519 CA ARG A 410 104.376 -8.693 -3.996 1.00 0.00 C ATOM 520 C ARG A 410 104.354 -7.192 -4.241 1.00 0.00 C ATOM 521 O ARG A 410 105.267 -6.490 -3.798 1.00 0.00 O ATOM 522 CB ARG A 410 105.385 -8.925 -2.868 1.00 0.00 C ATOM 523 CG ARG A 410 105.218 -10.178 -2.065 1.00 0.00 C ATOM 524 CD ARG A 410 103.737 -10.584 -1.897 1.00 0.00 C ATOM 525 NE ARG A 410 103.235 -11.474 -2.960 1.00 0.00 N ATOM 526 CZ ARG A 410 102.741 -12.710 -2.737 1.00 0.00 C ATOM 527 NH1 ARG A 410 102.772 -13.244 -1.504 1.00 0.00 N ATOM 528 NH2 ARG A 410 102.251 -13.421 -3.740 1.00 0.00 N ATOM 0 H ARG A 410 105.740 -9.309 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 410 103.397 -9.079 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 410 106.385 -8.929 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 410 105.336 -8.075 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 410 105.761 -10.990 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 410 105.666 -10.037 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 410 103.614 -11.080 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 410 103.124 -9.683 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 410 103.263 -11.135 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 410 103.171 -12.714 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 410 102.397 -14.179 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 410 102.246 -13.035 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 410 101.878 -14.355 -3.569 1.00 0.00 H new ATOM 542 N PRO A 411 103.356 -6.643 -4.959 1.00 0.00 N ATOM 543 CA PRO A 411 103.315 -5.206 -5.238 1.00 0.00 C ATOM 544 C PRO A 411 102.929 -4.434 -3.988 1.00 0.00 C ATOM 545 O PRO A 411 103.074 -3.238 -3.911 1.00 0.00 O ATOM 546 CB PRO A 411 102.232 -5.091 -6.302 1.00 0.00 C ATOM 547 CG PRO A 411 101.317 -6.215 -5.999 1.00 0.00 C ATOM 548 CD PRO A 411 102.186 -7.336 -5.555 1.00 0.00 C ATOM 0 HA PRO A 411 104.274 -4.799 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 411 101.718 -4.131 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 411 102.648 -5.173 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 411 100.605 -5.941 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 411 100.737 -6.495 -6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 411 101.682 -7.973 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 411 102.478 -7.974 -6.389 1.00 0.00 H new ATOM 556 N ASP A 412 102.512 -5.168 -2.984 1.00 0.00 N ATOM 557 CA ASP A 412 102.090 -4.578 -1.710 1.00 0.00 C ATOM 558 C ASP A 412 103.353 -4.176 -0.952 1.00 0.00 C ATOM 559 O ASP A 412 103.424 -3.164 -0.249 1.00 0.00 O ATOM 560 CB ASP A 412 101.262 -5.611 -0.935 1.00 0.00 C ATOM 561 CG ASP A 412 100.582 -5.086 0.295 1.00 0.00 C ATOM 562 OD1 ASP A 412 100.384 -3.851 0.425 1.00 0.00 O ATOM 563 OD2 ASP A 412 100.151 -5.905 1.103 1.00 0.00 O ATOM 0 H ASP A 412 102.451 -6.186 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 412 101.466 -3.696 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 412 100.505 -6.022 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 412 101.915 -6.435 -0.647 1.00 0.00 H new ATOM 568 N CYS A 413 104.381 -4.904 -1.243 1.00 0.00 N ATOM 569 CA CYS A 413 105.657 -4.664 -0.638 1.00 0.00 C ATOM 570 C CYS A 413 106.362 -3.532 -1.317 1.00 0.00 C ATOM 571 O CYS A 413 107.295 -3.032 -0.791 1.00 0.00 O ATOM 572 CB CYS A 413 106.513 -5.887 -0.626 1.00 0.00 C ATOM 573 SG CYS A 413 105.814 -7.257 0.306 1.00 0.00 S ATOM 0 H CYS A 413 104.364 -5.680 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 413 105.473 -4.388 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 413 106.684 -6.209 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 413 107.486 -5.633 -0.205 1.00 0.00 H new ATOM 578 N ASN A 414 105.931 -3.180 -2.558 1.00 0.00 N ATOM 579 CA ASN A 414 106.432 -1.950 -3.253 1.00 0.00 C ATOM 580 C ASN A 414 106.539 -0.712 -2.300 1.00 0.00 C ATOM 581 O ASN A 414 107.345 0.223 -2.509 1.00 0.00 O ATOM 582 CB ASN A 414 105.581 -1.644 -4.505 1.00 0.00 C ATOM 583 CG ASN A 414 105.957 -0.360 -5.243 1.00 0.00 C ATOM 584 OD1 ASN A 414 106.809 -0.366 -6.132 1.00 0.00 O ATOM 585 ND2 ASN A 414 105.291 0.726 -4.927 1.00 0.00 N ATOM 0 H ASN A 414 105.250 -3.716 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 414 107.451 -2.160 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 414 105.666 -2.482 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 414 104.534 -1.581 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 414 105.473 1.598 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 414 104.591 0.698 -4.185 1.00 0.00 H new ATOM 592 N VAL A 415 105.780 -0.717 -1.234 1.00 0.00 N ATOM 593 CA VAL A 415 105.957 0.321 -0.306 1.00 0.00 C ATOM 594 C VAL A 415 107.203 0.099 0.533 1.00 0.00 C ATOM 595 O VAL A 415 107.328 -0.896 1.254 1.00 0.00 O ATOM 596 CB VAL A 415 104.769 0.608 0.573 1.00 0.00 C ATOM 597 CG1 VAL A 415 105.221 1.545 1.672 1.00 0.00 C ATOM 598 CG2 VAL A 415 103.672 1.251 -0.243 1.00 0.00 C ATOM 0 H VAL A 415 105.065 -1.409 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 415 106.079 1.215 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 415 104.378 -0.314 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 415 104.379 1.771 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 415 106.014 1.071 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 415 105.596 2.469 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 415 102.815 1.457 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 415 104.037 2.184 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 415 103.372 0.576 -1.045 1.00 0.00 H new ATOM 608 N LEU A 416 108.082 1.047 0.396 1.00 0.00 N ATOM 609 CA LEU A 416 109.367 1.139 1.099 1.00 0.00 C ATOM 610 C LEU A 416 109.294 0.753 2.629 1.00 0.00 C ATOM 611 O LEU A 416 109.940 -0.234 3.012 1.00 0.00 O ATOM 612 CB LEU A 416 109.976 2.544 0.861 1.00 0.00 C ATOM 613 CG LEU A 416 111.485 2.749 1.158 1.00 0.00 C ATOM 614 CD1 LEU A 416 111.798 2.761 2.651 1.00 0.00 C ATOM 615 CD2 LEU A 416 112.282 1.672 0.479 1.00 0.00 C ATOM 0 H LEU A 416 107.931 1.830 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 416 110.032 0.385 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 416 109.803 2.810 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 416 109.417 3.256 1.468 1.00 0.00 H new ATOM 0 HG LEU A 416 111.761 3.729 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 416 112.868 2.908 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 416 111.251 3.573 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 416 111.498 1.811 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 416 113.342 1.817 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 416 111.968 0.697 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 416 112.115 1.719 -0.597 1.00 0.00 H new ATOM 627 N PRO A 417 108.593 1.546 3.552 1.00 0.00 N ATOM 628 CA PRO A 417 108.430 1.136 4.954 1.00 0.00 C ATOM 629 C PRO A 417 107.869 -0.268 5.017 1.00 0.00 C ATOM 630 O PRO A 417 106.793 -0.533 4.461 1.00 0.00 O ATOM 631 CB PRO A 417 107.414 2.128 5.538 1.00 0.00 C ATOM 632 CG PRO A 417 106.987 3.007 4.413 1.00 0.00 C ATOM 633 CD PRO A 417 107.999 2.867 3.322 1.00 0.00 C ATOM 0 HA PRO A 417 109.374 1.139 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 417 106.560 1.602 5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 417 107.861 2.715 6.340 1.00 0.00 H new ATOM 0 HG2 PRO A 417 105.998 2.720 4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 417 106.919 4.044 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 417 107.535 2.929 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 417 108.750 3.656 3.371 1.00 0.00 H new ATOM 641 N PHE A 418 108.551 -1.147 5.712 1.00 0.00 N ATOM 642 CA PHE A 418 108.226 -2.543 5.645 1.00 0.00 C ATOM 643 C PHE A 418 107.033 -2.887 6.511 1.00 0.00 C ATOM 644 O PHE A 418 107.064 -2.675 7.732 1.00 0.00 O ATOM 645 CB PHE A 418 109.411 -3.398 6.076 1.00 0.00 C ATOM 646 CG PHE A 418 109.652 -4.565 5.156 1.00 0.00 C ATOM 647 CD1 PHE A 418 109.753 -4.372 3.788 1.00 0.00 C ATOM 648 CD2 PHE A 418 109.752 -5.848 5.648 1.00 0.00 C ATOM 649 CE1 PHE A 418 109.952 -5.439 2.940 1.00 0.00 C ATOM 650 CE2 PHE A 418 109.948 -6.919 4.804 1.00 0.00 C ATOM 651 CZ PHE A 418 110.049 -6.712 3.448 1.00 0.00 C ATOM 0 H PHE A 418 109.331 -0.917 6.327 1.00 0.00 H new ATOM 0 HA PHE A 418 107.977 -2.756 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 418 110.307 -2.778 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 418 109.238 -3.767 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 418 109.675 -3.374 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 418 109.676 -6.017 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 418 110.032 -5.275 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 418 110.022 -7.919 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 418 110.204 -7.549 2.783 1.00 0.00 H new ATOM 661 N PRO A 419 105.936 -3.378 5.898 1.00 0.00 N ATOM 662 CA PRO A 419 104.798 -3.839 6.653 1.00 0.00 C ATOM 663 C PRO A 419 105.120 -5.140 7.338 1.00 0.00 C ATOM 664 O PRO A 419 104.854 -5.299 8.514 1.00 0.00 O ATOM 665 CB PRO A 419 103.701 -4.087 5.620 1.00 0.00 C ATOM 666 CG PRO A 419 104.231 -3.618 4.296 1.00 0.00 C ATOM 667 CD PRO A 419 105.718 -3.468 4.434 1.00 0.00 C ATOM 0 HA PRO A 419 104.506 -3.116 7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 419 103.442 -5.145 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 419 102.792 -3.546 5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 419 103.989 -4.334 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 419 103.774 -2.669 4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 419 106.246 -4.319 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 419 106.078 -2.576 3.921 1.00 0.00 H new ATOM 675 N ASN A 420 105.647 -6.109 6.541 1.00 0.00 N ATOM 676 CA ASN A 420 106.023 -7.462 6.992 1.00 0.00 C ATOM 677 C ASN A 420 104.930 -8.153 7.748 1.00 0.00 C ATOM 678 O ASN A 420 105.153 -9.061 8.562 1.00 0.00 O ATOM 679 CB ASN A 420 107.466 -7.634 7.610 1.00 0.00 C ATOM 680 CG ASN A 420 108.011 -6.619 8.649 1.00 0.00 C ATOM 681 OD1 ASN A 420 109.207 -6.362 8.664 1.00 0.00 O ATOM 682 ND2 ASN A 420 107.229 -6.108 9.542 1.00 0.00 N ATOM 0 H ASN A 420 105.823 -5.960 5.547 1.00 0.00 H new ATOM 0 HA ASN A 420 106.135 -8.012 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 420 107.499 -8.619 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 420 108.171 -7.651 6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 420 107.609 -5.490 10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 420 106.232 -6.322 9.529 1.00 0.00 H new ATOM 689 N ASN A 421 103.732 -7.715 7.440 1.00 0.00 N ATOM 690 CA ASN A 421 102.531 -8.179 8.057 1.00 0.00 C ATOM 691 C ASN A 421 101.337 -8.282 7.074 1.00 0.00 C ATOM 692 O ASN A 421 100.187 -8.365 7.509 1.00 0.00 O ATOM 693 CB ASN A 421 102.153 -7.233 9.209 1.00 0.00 C ATOM 694 CG ASN A 421 102.430 -7.758 10.615 1.00 0.00 C ATOM 695 OD1 ASN A 421 101.712 -7.435 11.555 1.00 0.00 O ATOM 696 ND2 ASN A 421 103.475 -8.539 10.781 1.00 0.00 N ATOM 0 H ASN A 421 103.571 -7.002 6.728 1.00 0.00 H new ATOM 0 HA ASN A 421 102.733 -9.186 8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 421 102.694 -6.296 9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 421 101.091 -7.001 9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 421 103.705 -8.892 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 421 104.055 -8.792 9.981 1.00 0.00 H new ATOM 703 N ILE A 422 101.598 -8.325 5.771 1.00 0.00 N ATOM 704 CA ILE A 422 100.512 -8.352 4.758 1.00 0.00 C ATOM 705 C ILE A 422 100.879 -9.156 3.490 1.00 0.00 C ATOM 706 O ILE A 422 100.153 -10.086 3.110 1.00 0.00 O ATOM 707 CB ILE A 422 100.052 -6.925 4.340 1.00 0.00 C ATOM 708 CG1 ILE A 422 101.265 -6.043 4.133 1.00 0.00 C ATOM 709 CG2 ILE A 422 99.059 -6.294 5.329 1.00 0.00 C ATOM 710 CD1 ILE A 422 100.943 -4.624 3.834 1.00 0.00 C ATOM 0 H ILE A 422 102.540 -8.342 5.379 1.00 0.00 H new ATOM 0 HA ILE A 422 99.687 -8.860 5.257 1.00 0.00 H new ATOM 0 HB ILE A 422 99.506 -7.017 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 422 101.886 -6.082 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 422 101.860 -6.449 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 422 98.778 -5.301 4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 422 98.169 -6.919 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 422 99.525 -6.214 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 422 101.867 -4.062 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 422 100.350 -4.570 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 422 100.376 -4.198 4.661 1.00 0.00 H new ATOM 722 N GLY A 423 102.000 -8.820 2.857 1.00 0.00 N ATOM 723 CA GLY A 423 102.358 -9.447 1.590 1.00 0.00 C ATOM 724 C GLY A 423 103.679 -10.197 1.617 1.00 0.00 C ATOM 725 O GLY A 423 103.690 -11.414 1.430 1.00 0.00 O ATOM 0 H GLY A 423 102.667 -8.127 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 423 101.566 -10.139 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 423 102.405 -8.679 0.818 1.00 0.00 H new ATOM 729 N CYS A 424 104.780 -9.469 1.753 1.00 0.00 N ATOM 730 CA CYS A 424 106.187 -9.951 1.819 1.00 0.00 C ATOM 731 C CYS A 424 106.407 -11.387 2.359 1.00 0.00 C ATOM 732 O CYS A 424 106.130 -11.673 3.518 1.00 0.00 O ATOM 733 CB CYS A 424 106.988 -8.925 2.638 1.00 0.00 C ATOM 734 SG CYS A 424 106.786 -7.180 2.092 1.00 0.00 S ATOM 0 H CYS A 424 104.729 -8.453 1.827 1.00 0.00 H new ATOM 0 HA CYS A 424 106.535 -10.030 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 424 106.689 -9.001 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 424 108.045 -9.187 2.589 1.00 0.00 H new ATOM 739 N PRO A 425 106.884 -12.319 1.495 1.00 0.00 N ATOM 740 CA PRO A 425 107.211 -13.679 1.895 1.00 0.00 C ATOM 741 C PRO A 425 108.691 -13.865 2.286 1.00 0.00 C ATOM 742 O PRO A 425 109.012 -14.812 3.013 1.00 0.00 O ATOM 743 CB PRO A 425 106.937 -14.501 0.623 1.00 0.00 C ATOM 744 CG PRO A 425 106.725 -13.510 -0.484 1.00 0.00 C ATOM 745 CD PRO A 425 107.041 -12.159 0.057 1.00 0.00 C ATOM 0 HA PRO A 425 106.634 -13.969 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 425 107.775 -15.161 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 425 106.059 -15.134 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 425 107.366 -13.742 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 425 105.696 -13.549 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 425 108.053 -11.850 -0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 425 106.365 -11.401 -0.338 1.00 0.00 H new ATOM 753 N SER A 426 109.561 -12.913 1.873 1.00 0.00 N ATOM 754 CA SER A 426 111.030 -13.044 1.993 1.00 0.00 C ATOM 755 C SER A 426 111.789 -12.035 1.107 1.00 0.00 C ATOM 756 O SER A 426 113.004 -12.094 1.021 1.00 0.00 O ATOM 757 CB SER A 426 111.506 -14.473 1.628 1.00 0.00 C ATOM 758 OG SER A 426 110.977 -14.893 0.366 1.00 0.00 O ATOM 0 H SER A 426 109.263 -12.035 1.448 1.00 0.00 H new ATOM 0 HA SER A 426 111.257 -12.834 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 426 112.595 -14.498 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 426 111.195 -15.171 2.405 1.00 0.00 H new ATOM 0 HG SER A 426 111.296 -15.797 0.162 1.00 0.00 H new ATOM 764 N CYS A 427 111.094 -11.128 0.451 1.00 0.00 N ATOM 765 CA CYS A 427 111.758 -10.235 -0.468 1.00 0.00 C ATOM 766 C CYS A 427 111.949 -8.802 0.110 1.00 0.00 C ATOM 767 O CYS A 427 111.576 -8.543 1.268 1.00 0.00 O ATOM 768 CB CYS A 427 110.946 -10.240 -1.721 1.00 0.00 C ATOM 769 SG CYS A 427 109.169 -10.087 -1.420 1.00 0.00 S ATOM 0 H CYS A 427 110.087 -10.993 0.536 1.00 0.00 H new ATOM 0 HA CYS A 427 112.774 -10.579 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 427 111.272 -9.419 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 427 111.137 -11.164 -2.266 1.00 0.00 H new ATOM 774 N CYS A 428 112.527 -7.892 -0.701 1.00 0.00 N ATOM 775 CA CYS A 428 112.805 -6.490 -0.299 1.00 0.00 C ATOM 776 C CYS A 428 111.699 -5.614 -0.934 1.00 0.00 C ATOM 777 O CYS A 428 111.138 -6.048 -1.929 1.00 0.00 O ATOM 778 CB CYS A 428 114.184 -6.096 -0.880 1.00 0.00 C ATOM 779 SG CYS A 428 115.010 -4.679 -0.073 1.00 0.00 S ATOM 0 H CYS A 428 112.816 -8.105 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 428 112.816 -6.364 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 428 114.844 -6.961 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 428 114.059 -5.866 -1.938 1.00 0.00 H new ATOM 784 N PRO A 429 111.348 -4.380 -0.389 1.00 0.00 N ATOM 785 CA PRO A 429 110.249 -3.578 -0.932 1.00 0.00 C ATOM 786 C PRO A 429 110.471 -3.043 -2.365 1.00 0.00 C ATOM 787 O PRO A 429 110.302 -3.798 -3.322 1.00 0.00 O ATOM 788 CB PRO A 429 110.042 -2.450 0.092 1.00 0.00 C ATOM 789 CG PRO A 429 111.290 -2.371 0.876 1.00 0.00 C ATOM 790 CD PRO A 429 111.977 -3.701 0.772 1.00 0.00 C ATOM 0 HA PRO A 429 109.363 -4.199 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 429 109.836 -1.504 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 429 109.190 -2.662 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 429 111.932 -1.577 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 429 111.073 -2.132 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 429 113.050 -3.578 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 429 111.847 -4.283 1.685 1.00 0.00 H new ATOM 798 N PHE A 430 110.837 -1.749 -2.510 1.00 0.00 N ATOM 799 CA PHE A 430 111.076 -1.126 -3.816 1.00 0.00 C ATOM 800 C PHE A 430 111.369 0.360 -3.585 1.00 0.00 C ATOM 801 O PHE A 430 111.438 0.815 -2.426 1.00 0.00 O ATOM 802 CB PHE A 430 109.813 -1.255 -4.710 1.00 0.00 C ATOM 803 CG PHE A 430 110.054 -1.813 -6.103 1.00 0.00 C ATOM 804 CD1 PHE A 430 110.463 -3.127 -6.278 1.00 0.00 C ATOM 805 CD2 PHE A 430 109.859 -1.034 -7.225 1.00 0.00 C ATOM 806 CE1 PHE A 430 110.674 -3.648 -7.539 1.00 0.00 C ATOM 807 CE2 PHE A 430 110.068 -1.552 -8.492 1.00 0.00 C ATOM 808 CZ PHE A 430 110.477 -2.858 -8.648 1.00 0.00 C ATOM 0 H PHE A 430 110.973 -1.115 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 430 111.913 -1.618 -4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 430 109.092 -1.894 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 430 109.354 -0.271 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 430 110.619 -3.754 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 430 109.540 -0.008 -7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 430 110.993 -4.673 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 430 109.910 -0.930 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 430 110.642 -3.260 -9.637 1.00 0.00 H new ATOM 818 N GLU A 431 111.532 1.102 -4.666 1.00 0.00 N ATOM 819 CA GLU A 431 111.748 2.544 -4.627 1.00 0.00 C ATOM 820 C GLU A 431 113.024 2.943 -3.878 1.00 0.00 C ATOM 821 O GLU A 431 114.111 2.869 -4.442 1.00 0.00 O ATOM 822 CB GLU A 431 110.500 3.281 -4.103 1.00 0.00 C ATOM 823 CG GLU A 431 109.296 3.127 -5.013 1.00 0.00 C ATOM 824 CD GLU A 431 109.576 3.598 -6.420 1.00 0.00 C ATOM 825 OE1 GLU A 431 110.030 2.793 -7.256 1.00 0.00 O ATOM 826 OE2 GLU A 431 109.343 4.788 -6.720 1.00 0.00 O ATOM 0 H GLU A 431 111.518 0.718 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 431 111.909 2.865 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 431 110.250 2.902 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 431 110.731 4.340 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 431 108.993 2.080 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 431 108.459 3.692 -4.603 1.00 0.00 H new ATOM 833 N CYS A 432 112.879 3.344 -2.613 1.00 0.00 N ATOM 834 CA CYS A 432 113.985 3.737 -1.689 1.00 0.00 C ATOM 835 C CYS A 432 114.738 5.030 -2.094 1.00 0.00 C ATOM 836 O CYS A 432 114.948 5.916 -1.271 1.00 0.00 O ATOM 837 CB CYS A 432 114.974 2.597 -1.516 1.00 0.00 C ATOM 838 SG CYS A 432 116.003 2.712 -0.063 1.00 0.00 S ATOM 0 H CYS A 432 111.961 3.412 -2.173 1.00 0.00 H new ATOM 0 HA CYS A 432 113.494 3.959 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 432 114.422 1.658 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 432 115.616 2.555 -2.396 1.00 0.00 H new ATOM 843 N SER A 433 115.084 5.125 -3.338 1.00 0.00 N ATOM 844 CA SER A 433 115.871 6.181 -3.914 1.00 0.00 C ATOM 845 C SER A 433 115.453 6.279 -5.380 1.00 0.00 C ATOM 846 O SER A 433 114.562 5.523 -5.785 1.00 0.00 O ATOM 847 CB SER A 433 117.369 5.830 -3.781 1.00 0.00 C ATOM 848 OG SER A 433 117.788 5.912 -2.428 1.00 0.00 O ATOM 0 H SER A 433 114.809 4.425 -4.027 1.00 0.00 H new ATOM 0 HA SER A 433 115.713 7.135 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 433 117.546 4.824 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 433 117.962 6.511 -4.392 1.00 0.00 H new ATOM 0 HG SER A 433 117.892 5.009 -2.062 1.00 0.00 H new ATOM 854 N PRO A 434 115.971 7.236 -6.176 1.00 0.00 N ATOM 855 CA PRO A 434 115.694 7.261 -7.611 1.00 0.00 C ATOM 856 C PRO A 434 116.175 5.996 -8.305 1.00 0.00 C ATOM 857 O PRO A 434 117.395 5.735 -8.358 1.00 0.00 O ATOM 858 CB PRO A 434 116.505 8.440 -8.122 1.00 0.00 C ATOM 859 CG PRO A 434 116.648 9.332 -6.943 1.00 0.00 C ATOM 860 CD PRO A 434 116.774 8.412 -5.760 1.00 0.00 C ATOM 0 HA PRO A 434 114.624 7.336 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 434 117.477 8.120 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 434 115.996 8.946 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 434 117.525 9.972 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 434 115.784 9.989 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 434 117.812 8.145 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 434 116.384 8.867 -4.849 1.00 0.00 H new ATOM 868 N ASP A 435 115.217 5.215 -8.784 1.00 0.00 N ATOM 869 CA ASP A 435 115.470 3.984 -9.591 1.00 0.00 C ATOM 870 C ASP A 435 116.150 2.877 -8.786 1.00 0.00 C ATOM 871 O ASP A 435 117.369 2.877 -8.582 1.00 0.00 O ATOM 872 CB ASP A 435 116.283 4.325 -10.846 1.00 0.00 C ATOM 873 CG ASP A 435 116.379 3.160 -11.807 1.00 0.00 C ATOM 874 OD1 ASP A 435 115.334 2.709 -12.307 1.00 0.00 O ATOM 875 OD2 ASP A 435 117.514 2.707 -12.112 1.00 0.00 O ATOM 0 H ASP A 435 114.226 5.402 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 435 114.497 3.595 -9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 435 115.824 5.174 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 435 117.286 4.634 -10.553 1.00 0.00 H new ATOM 880 N ASN A 436 115.355 1.938 -8.322 1.00 0.00 N ATOM 881 CA ASN A 436 115.864 0.823 -7.518 1.00 0.00 C ATOM 882 C ASN A 436 116.260 -0.451 -8.318 1.00 0.00 C ATOM 883 O ASN A 436 117.060 -1.225 -7.790 1.00 0.00 O ATOM 884 CB ASN A 436 114.904 0.430 -6.383 1.00 0.00 C ATOM 885 CG ASN A 436 113.722 -0.420 -6.817 1.00 0.00 C ATOM 886 OD1 ASN A 436 112.695 0.105 -7.205 1.00 0.00 O ATOM 887 ND2 ASN A 436 113.842 -1.728 -6.704 1.00 0.00 N ATOM 0 H ASN A 436 114.348 1.915 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 436 116.786 1.227 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 436 115.465 -0.113 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 436 114.528 1.339 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 436 113.058 -2.335 -6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 436 114.718 -2.133 -6.375 1.00 0.00 H new ATOM 894 N PRO A 437 115.681 -0.760 -9.563 1.00 0.00 N ATOM 895 CA PRO A 437 116.083 -1.955 -10.324 1.00 0.00 C ATOM 896 C PRO A 437 117.598 -2.080 -10.466 1.00 0.00 C ATOM 897 O PRO A 437 118.317 -1.077 -10.584 1.00 0.00 O ATOM 898 CB PRO A 437 115.454 -1.745 -11.687 1.00 0.00 C ATOM 899 CG PRO A 437 114.233 -0.951 -11.410 1.00 0.00 C ATOM 900 CD PRO A 437 114.597 -0.032 -10.282 1.00 0.00 C ATOM 0 HA PRO A 437 115.763 -2.869 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 437 116.129 -1.215 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 437 115.211 -2.695 -12.163 1.00 0.00 H new ATOM 0 HG2 PRO A 437 113.924 -0.388 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 437 113.399 -1.597 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 437 114.941 0.935 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 437 113.744 0.159 -9.631 1.00 0.00 H new ATOM 908 N MET A 438 118.054 -3.297 -10.528 1.00 0.00 N ATOM 909 CA MET A 438 119.460 -3.611 -10.508 1.00 0.00 C ATOM 910 C MET A 438 119.716 -4.900 -11.225 1.00 0.00 C ATOM 911 O MET A 438 118.787 -5.685 -11.474 1.00 0.00 O ATOM 912 CB MET A 438 119.994 -3.720 -9.066 1.00 0.00 C ATOM 913 CG MET A 438 120.173 -2.399 -8.331 1.00 0.00 C ATOM 914 SD MET A 438 121.402 -1.333 -9.113 1.00 0.00 S ATOM 915 CE MET A 438 121.291 0.120 -8.070 1.00 0.00 C ATOM 0 H MET A 438 117.451 -4.117 -10.595 1.00 0.00 H new ATOM 0 HA MET A 438 119.982 -2.798 -11.012 1.00 0.00 H new ATOM 0 HB2 MET A 438 119.312 -4.346 -8.491 1.00 0.00 H new ATOM 0 HB3 MET A 438 120.954 -4.235 -9.091 1.00 0.00 H new ATOM 0 HG2 MET A 438 119.217 -1.877 -8.291 1.00 0.00 H new ATOM 0 HG3 MET A 438 120.471 -2.597 -7.302 1.00 0.00 H new ATOM 0 HE1 MET A 438 121.992 0.876 -8.423 1.00 0.00 H new ATOM 0 HE2 MET A 438 120.277 0.519 -8.109 1.00 0.00 H new ATOM 0 HE3 MET A 438 121.536 -0.150 -7.043 1.00 0.00 H new ATOM 925 N PHE A 439 120.960 -5.106 -11.560 1.00 0.00 N ATOM 926 CA PHE A 439 121.421 -6.261 -12.262 1.00 0.00 C ATOM 927 C PHE A 439 122.925 -6.242 -12.111 1.00 0.00 C ATOM 928 O PHE A 439 123.460 -5.209 -11.694 1.00 0.00 O ATOM 929 CB PHE A 439 120.999 -6.157 -13.735 1.00 0.00 C ATOM 930 CG PHE A 439 121.214 -7.390 -14.549 1.00 0.00 C ATOM 931 CD1 PHE A 439 120.412 -8.502 -14.360 1.00 0.00 C ATOM 932 CD2 PHE A 439 122.213 -7.444 -15.496 1.00 0.00 C ATOM 933 CE1 PHE A 439 120.606 -9.641 -15.103 1.00 0.00 C ATOM 934 CE2 PHE A 439 122.411 -8.577 -16.238 1.00 0.00 C ATOM 935 CZ PHE A 439 121.608 -9.676 -16.045 1.00 0.00 C ATOM 0 H PHE A 439 121.705 -4.445 -11.341 1.00 0.00 H new ATOM 0 HA PHE A 439 121.005 -7.192 -11.877 1.00 0.00 H new ATOM 0 HB2 PHE A 439 119.942 -5.895 -13.775 1.00 0.00 H new ATOM 0 HB3 PHE A 439 121.549 -5.337 -14.196 1.00 0.00 H new ATOM 0 HD1 PHE A 439 119.625 -8.474 -13.621 1.00 0.00 H new ATOM 0 HD2 PHE A 439 122.846 -6.584 -15.655 1.00 0.00 H new ATOM 0 HE1 PHE A 439 119.975 -10.504 -14.949 1.00 0.00 H new ATOM 0 HE2 PHE A 439 123.199 -8.608 -16.976 1.00 0.00 H new ATOM 0 HZ PHE A 439 121.764 -10.568 -16.634 1.00 0.00 H new ATOM 945 N THR A 440 123.594 -7.347 -12.444 1.00 0.00 N ATOM 946 CA THR A 440 125.049 -7.515 -12.278 1.00 0.00 C ATOM 947 C THR A 440 125.509 -7.312 -10.821 1.00 0.00 C ATOM 948 O THR A 440 125.841 -6.201 -10.412 1.00 0.00 O ATOM 949 CB THR A 440 125.927 -6.683 -13.290 1.00 0.00 C ATOM 950 OG1 THR A 440 125.506 -5.308 -13.346 1.00 0.00 O ATOM 951 CG2 THR A 440 125.875 -7.289 -14.683 1.00 0.00 C ATOM 0 H THR A 440 123.138 -8.167 -12.844 1.00 0.00 H new ATOM 0 HA THR A 440 125.227 -8.559 -12.536 1.00 0.00 H new ATOM 0 HB THR A 440 126.954 -6.717 -12.925 1.00 0.00 H new ATOM 0 HG1 THR A 440 125.041 -5.074 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 440 126.489 -6.696 -15.361 1.00 0.00 H new ATOM 0 HG22 THR A 440 126.254 -8.310 -14.650 1.00 0.00 H new ATOM 0 HG23 THR A 440 124.845 -7.296 -15.039 1.00 0.00 H new ATOM 959 N PRO A 441 125.483 -8.390 -10.008 1.00 0.00 N ATOM 960 CA PRO A 441 125.914 -8.337 -8.631 1.00 0.00 C ATOM 961 C PRO A 441 127.437 -8.535 -8.552 1.00 0.00 C ATOM 962 O PRO A 441 128.124 -8.204 -9.519 1.00 0.00 O ATOM 963 CB PRO A 441 125.118 -9.482 -7.966 1.00 0.00 C ATOM 964 CG PRO A 441 124.584 -10.328 -9.083 1.00 0.00 C ATOM 965 CD PRO A 441 125.068 -9.736 -10.380 1.00 0.00 C ATOM 0 HA PRO A 441 125.728 -7.384 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 441 125.758 -10.068 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 441 124.306 -9.087 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 441 124.928 -11.357 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 441 123.495 -10.352 -9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 441 125.895 -10.309 -10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 441 124.279 -9.719 -11.132 1.00 0.00 H new ATOM 973 N SER A 442 127.935 -9.138 -7.450 1.00 0.00 N ATOM 974 CA SER A 442 129.364 -9.252 -7.087 1.00 0.00 C ATOM 975 C SER A 442 129.773 -8.000 -6.296 1.00 0.00 C ATOM 976 O SER A 442 129.317 -6.889 -6.620 1.00 0.00 O ATOM 977 CB SER A 442 130.313 -9.447 -8.303 1.00 0.00 C ATOM 978 OG SER A 442 129.837 -10.484 -9.159 1.00 0.00 O ATOM 0 H SER A 442 127.326 -9.577 -6.760 1.00 0.00 H new ATOM 0 HA SER A 442 129.470 -10.154 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 442 130.390 -8.515 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 442 131.315 -9.691 -7.952 1.00 0.00 H new ATOM 0 HG SER A 442 130.448 -10.588 -9.918 1.00 0.00 H new ATOM 984 N PRO A 443 130.588 -8.145 -5.222 1.00 0.00 N ATOM 985 CA PRO A 443 131.117 -6.993 -4.443 1.00 0.00 C ATOM 986 C PRO A 443 131.873 -6.004 -5.334 1.00 0.00 C ATOM 987 O PRO A 443 131.971 -4.816 -5.041 1.00 0.00 O ATOM 988 CB PRO A 443 132.080 -7.663 -3.465 1.00 0.00 C ATOM 989 CG PRO A 443 131.502 -9.015 -3.272 1.00 0.00 C ATOM 990 CD PRO A 443 131.005 -9.432 -4.623 1.00 0.00 C ATOM 0 HA PRO A 443 130.328 -6.411 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 443 133.091 -7.714 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 443 132.141 -7.116 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 443 132.251 -9.712 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 443 130.691 -8.995 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 443 131.784 -9.919 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 443 130.174 -10.134 -4.551 1.00 0.00 H new ATOM 998 N ASP A 444 132.383 -6.516 -6.433 1.00 0.00 N ATOM 999 CA ASP A 444 133.074 -5.684 -7.423 1.00 0.00 C ATOM 1000 C ASP A 444 132.337 -5.687 -8.742 1.00 0.00 C ATOM 1001 O ASP A 444 132.918 -5.423 -9.783 1.00 0.00 O ATOM 1002 CB ASP A 444 134.583 -6.028 -7.628 1.00 0.00 C ATOM 1003 CG ASP A 444 135.444 -5.512 -6.512 1.00 0.00 C ATOM 1004 OD1 ASP A 444 135.609 -6.199 -5.485 1.00 0.00 O ATOM 1005 OD2 ASP A 444 135.989 -4.392 -6.648 1.00 0.00 O ATOM 0 H ASP A 444 132.337 -7.506 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 444 133.064 -4.678 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 444 134.699 -7.109 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 444 134.924 -5.604 -8.572 1.00 0.00 H new ATOM 1010 N GLY A 445 131.031 -5.952 -8.667 1.00 0.00 N ATOM 1011 CA GLY A 445 130.136 -6.002 -9.840 1.00 0.00 C ATOM 1012 C GLY A 445 130.181 -4.770 -10.752 1.00 0.00 C ATOM 1013 O GLY A 445 129.934 -4.864 -11.954 1.00 0.00 O ATOM 0 H GLY A 445 130.554 -6.141 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 445 130.389 -6.881 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 445 129.113 -6.137 -9.490 1.00 0.00 H new ATOM 1017 N SER A 446 130.459 -3.633 -10.178 1.00 0.00 N ATOM 1018 CA SER A 446 130.579 -2.383 -10.905 1.00 0.00 C ATOM 1019 C SER A 446 131.608 -1.517 -10.260 1.00 0.00 C ATOM 1020 O SER A 446 132.067 -1.847 -9.170 1.00 0.00 O ATOM 1021 CB SER A 446 129.244 -1.600 -10.817 1.00 0.00 C ATOM 1022 OG SER A 446 128.284 -2.107 -11.721 1.00 0.00 O ATOM 0 H SER A 446 130.613 -3.539 -9.174 1.00 0.00 H new ATOM 0 HA SER A 446 130.844 -2.617 -11.936 1.00 0.00 H new ATOM 0 HB2 SER A 446 128.854 -1.658 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 446 129.425 -0.546 -11.030 1.00 0.00 H new ATOM 0 HG SER A 446 128.547 -3.006 -12.008 1.00 0.00 H new ATOM 1028 N PRO A 447 132.057 -0.434 -10.970 1.00 0.00 N ATOM 1029 CA PRO A 447 132.903 0.589 -10.380 1.00 0.00 C ATOM 1030 C PRO A 447 132.163 1.217 -9.211 1.00 0.00 C ATOM 1031 O PRO A 447 131.174 1.934 -9.411 1.00 0.00 O ATOM 1032 CB PRO A 447 133.079 1.623 -11.503 1.00 0.00 C ATOM 1033 CG PRO A 447 132.824 0.871 -12.755 1.00 0.00 C ATOM 1034 CD PRO A 447 131.798 -0.159 -12.409 1.00 0.00 C ATOM 0 HA PRO A 447 133.856 0.208 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 447 132.380 2.452 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 447 134.082 2.049 -11.495 1.00 0.00 H new ATOM 0 HG2 PRO A 447 132.464 1.533 -13.542 1.00 0.00 H new ATOM 0 HG3 PRO A 447 133.737 0.405 -13.124 1.00 0.00 H new ATOM 0 HD2 PRO A 447 130.786 0.212 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 447 131.910 -1.057 -13.016 1.00 0.00 H new ATOM 1042 N PRO A 448 132.581 0.910 -7.980 1.00 0.00 N ATOM 1043 CA PRO A 448 131.887 1.355 -6.781 1.00 0.00 C ATOM 1044 C PRO A 448 131.918 2.874 -6.594 1.00 0.00 C ATOM 1045 O PRO A 448 131.115 3.413 -5.827 1.00 0.00 O ATOM 1046 CB PRO A 448 132.663 0.687 -5.634 1.00 0.00 C ATOM 1047 CG PRO A 448 133.395 -0.426 -6.271 1.00 0.00 C ATOM 1048 CD PRO A 448 133.724 0.052 -7.647 1.00 0.00 C ATOM 0 HA PRO A 448 130.831 1.089 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 448 133.347 1.389 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 448 131.988 0.324 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 448 134.299 -0.672 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 448 132.786 -1.329 -6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 448 134.663 0.605 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 448 133.825 -0.776 -8.349 1.00 0.00 H new ATOM 1056 N ASN A 449 132.886 3.533 -7.273 1.00 0.00 N ATOM 1057 CA ASN A 449 133.120 5.005 -7.231 1.00 0.00 C ATOM 1058 C ASN A 449 133.323 5.538 -5.802 1.00 0.00 C ATOM 1059 O ASN A 449 133.409 4.759 -4.852 1.00 0.00 O ATOM 1060 CB ASN A 449 132.072 5.851 -8.038 1.00 0.00 C ATOM 1061 CG ASN A 449 130.637 5.793 -7.512 1.00 0.00 C ATOM 1062 OD1 ASN A 449 129.822 5.003 -7.992 1.00 0.00 O ATOM 1063 ND2 ASN A 449 130.316 6.600 -6.529 1.00 0.00 N ATOM 0 H ASN A 449 133.545 3.048 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 449 134.064 5.144 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 449 132.397 6.891 -8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 449 132.075 5.510 -9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 449 129.372 6.583 -6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 449 131.010 7.244 -6.150 1.00 0.00 H new ATOM 1070 N CYS A 450 133.465 6.867 -5.666 1.00 0.00 N ATOM 1071 CA CYS A 450 133.686 7.510 -4.360 1.00 0.00 C ATOM 1072 C CYS A 450 134.990 7.044 -3.725 1.00 0.00 C ATOM 1073 O CYS A 450 135.046 6.779 -2.520 1.00 0.00 O ATOM 1074 CB CYS A 450 132.501 7.276 -3.428 1.00 0.00 C ATOM 1075 SG CYS A 450 130.972 8.141 -3.902 1.00 0.00 S ATOM 0 H CYS A 450 133.430 7.520 -6.449 1.00 0.00 H new ATOM 0 HA CYS A 450 133.771 8.584 -4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 450 132.297 6.206 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 450 132.781 7.588 -2.422 1.00 0.00 H new ATOM 1080 N SER A 451 136.026 6.995 -4.578 1.00 0.00 N ATOM 1081 CA SER A 451 137.406 6.603 -4.298 1.00 0.00 C ATOM 1082 C SER A 451 137.780 5.204 -4.837 1.00 0.00 C ATOM 1083 O SER A 451 138.736 5.113 -5.602 1.00 0.00 O ATOM 1084 CB SER A 451 137.884 6.865 -2.874 1.00 0.00 C ATOM 1085 OG SER A 451 137.627 8.220 -2.488 1.00 0.00 O ATOM 0 H SER A 451 135.904 7.250 -5.558 1.00 0.00 H new ATOM 0 HA SER A 451 137.992 7.305 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 451 137.380 6.185 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 451 138.952 6.659 -2.801 1.00 0.00 H new ATOM 0 HG SER A 451 137.940 8.364 -1.571 1.00 0.00 H new ATOM 1091 N PRO A 452 137.080 4.083 -4.485 1.00 0.00 N ATOM 1092 CA PRO A 452 137.362 2.797 -5.113 1.00 0.00 C ATOM 1093 C PRO A 452 136.841 2.773 -6.549 1.00 0.00 C ATOM 1094 O PRO A 452 135.707 2.384 -6.775 1.00 0.00 O ATOM 1095 CB PRO A 452 136.602 1.762 -4.256 1.00 0.00 C ATOM 1096 CG PRO A 452 136.200 2.498 -3.028 1.00 0.00 C ATOM 1097 CD PRO A 452 136.060 3.936 -3.432 1.00 0.00 C ATOM 0 HA PRO A 452 138.432 2.593 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 452 135.732 1.374 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 452 137.235 0.908 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 452 135.261 2.111 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 452 136.948 2.385 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 452 135.060 4.155 -3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 452 136.243 4.610 -2.595 1.00 0.00 H new ATOM 1105 N THR A 453 137.667 3.299 -7.463 1.00 0.00 N ATOM 1106 CA THR A 453 137.465 3.436 -8.932 1.00 0.00 C ATOM 1107 C THR A 453 138.351 4.595 -9.411 1.00 0.00 C ATOM 1108 O THR A 453 138.701 4.686 -10.591 1.00 0.00 O ATOM 1109 CB THR A 453 135.952 3.669 -9.374 1.00 0.00 C ATOM 1110 OG1 THR A 453 135.214 2.456 -9.225 1.00 0.00 O ATOM 1111 CG2 THR A 453 135.800 4.138 -10.813 1.00 0.00 C ATOM 0 H THR A 453 138.573 3.674 -7.182 1.00 0.00 H new ATOM 0 HA THR A 453 137.742 2.490 -9.397 1.00 0.00 H new ATOM 0 HB THR A 453 135.570 4.458 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 453 135.227 2.178 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 453 134.743 4.275 -11.041 1.00 0.00 H new ATOM 0 HG22 THR A 453 136.325 5.084 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 453 136.223 3.392 -11.486 1.00 0.00 H new