USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 376 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.72) USER MOD Single : A 378 SER OG : rot 68:sc= 0.279 USER MOD Single : A 396 LYS NZ :NH3+ -153:sc= 1.32 (180deg=1.01) USER MOD Single : A 397 SER OG : rot 69:sc= 0.558 USER MOD Single : A 399 SER OG : rot 9:sc= 0.88 USER MOD Single : A 406 THR OG1 : rot 16:sc= -2.36! USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0.00095) USER MOD Single : A 420 ASN : amide:sc= -0.843 K(o=-0.84,f=-2.7!) USER MOD Single : A 421 ASN : amide:sc= 0.0922 X(o=0.092,f=0) USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 159:sc= 1.09 USER MOD Single : A 436 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 438 MET CE :methyl 168:sc= -0.0488 (180deg=-0.272) USER MOD Single : A 440 THR OG1 : rot 24:sc= 0.413 USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 28:sc= -0.708 USER MOD Single : A 449 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.46) USER MOD Single : A 451 SER OG : rot 82:sc= 0.306 USER MOD Single : A 453 THR OG1 : rot 22:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 52 N GLN A 376 124.263 -13.362 6.939 1.00 0.00 N ATOM 53 CA GLN A 376 123.792 -12.167 6.259 1.00 0.00 C ATOM 54 C GLN A 376 124.920 -11.340 5.648 1.00 0.00 C ATOM 55 O GLN A 376 125.090 -11.417 4.432 1.00 0.00 O ATOM 56 CB GLN A 376 122.765 -11.318 7.064 1.00 0.00 C ATOM 57 CG GLN A 376 121.360 -11.882 7.065 1.00 0.00 C ATOM 58 CD GLN A 376 120.707 -11.834 5.682 1.00 0.00 C ATOM 59 OE1 GLN A 376 120.841 -12.760 4.868 1.00 0.00 O ATOM 60 NE2 GLN A 376 119.962 -10.793 5.421 1.00 0.00 N ATOM 0 HA GLN A 376 123.212 -12.548 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 376 123.110 -11.231 8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 376 122.740 -10.310 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 376 121.387 -12.914 7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 376 120.748 -11.322 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 376 119.870 -10.046 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 376 119.472 -10.727 4.529 1.00 0.00 H new ATOM 69 N PRO A 377 125.753 -10.574 6.454 1.00 0.00 N ATOM 70 CA PRO A 377 126.816 -9.681 5.924 1.00 0.00 C ATOM 71 C PRO A 377 127.893 -10.399 5.087 1.00 0.00 C ATOM 72 O PRO A 377 128.991 -10.686 5.566 1.00 0.00 O ATOM 73 CB PRO A 377 127.465 -9.077 7.186 1.00 0.00 C ATOM 74 CG PRO A 377 127.088 -10.001 8.282 1.00 0.00 C ATOM 75 CD PRO A 377 125.721 -10.490 7.933 1.00 0.00 C ATOM 0 HA PRO A 377 126.379 -8.952 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 377 128.548 -9.009 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 377 127.099 -8.068 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 377 127.794 -10.828 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 377 127.089 -9.490 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 377 125.513 -11.459 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 377 124.948 -9.804 8.280 1.00 0.00 H new ATOM 83 N SER A 378 127.561 -10.735 3.871 1.00 0.00 N ATOM 84 CA SER A 378 128.504 -11.346 2.992 1.00 0.00 C ATOM 85 C SER A 378 128.910 -10.314 1.937 1.00 0.00 C ATOM 86 O SER A 378 130.073 -10.226 1.574 1.00 0.00 O ATOM 87 CB SER A 378 127.877 -12.599 2.367 1.00 0.00 C ATOM 88 OG SER A 378 127.153 -13.322 3.367 1.00 0.00 O ATOM 0 H SER A 378 126.635 -10.592 3.469 1.00 0.00 H new ATOM 0 HA SER A 378 129.399 -11.664 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 378 127.209 -12.317 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 378 128.654 -13.231 1.937 1.00 0.00 H new ATOM 0 HG SER A 378 126.366 -12.805 3.639 1.00 0.00 H new ATOM 94 N ASP A 379 127.924 -9.517 1.461 1.00 0.00 N ATOM 95 CA ASP A 379 128.212 -8.373 0.528 1.00 0.00 C ATOM 96 C ASP A 379 129.150 -7.357 1.175 1.00 0.00 C ATOM 97 O ASP A 379 130.364 -7.375 0.967 1.00 0.00 O ATOM 98 CB ASP A 379 126.895 -7.642 0.057 1.00 0.00 C ATOM 99 CG ASP A 379 127.150 -6.328 -0.647 1.00 0.00 C ATOM 100 OD1 ASP A 379 127.661 -6.316 -1.767 1.00 0.00 O ATOM 101 OD2 ASP A 379 126.853 -5.274 -0.023 1.00 0.00 O ATOM 0 H ASP A 379 126.938 -9.631 1.695 1.00 0.00 H new ATOM 0 HA ASP A 379 128.695 -8.805 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 379 126.343 -8.302 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 379 126.259 -7.463 0.924 1.00 0.00 H new ATOM 106 N CYS A 380 128.562 -6.527 1.989 1.00 0.00 N ATOM 107 CA CYS A 380 129.196 -5.451 2.691 1.00 0.00 C ATOM 108 C CYS A 380 128.103 -4.702 3.370 1.00 0.00 C ATOM 109 O CYS A 380 128.047 -4.650 4.587 1.00 0.00 O ATOM 110 CB CYS A 380 129.946 -4.493 1.743 1.00 0.00 C ATOM 111 SG CYS A 380 130.697 -3.040 2.575 1.00 0.00 S ATOM 0 H CYS A 380 127.564 -6.589 2.192 1.00 0.00 H new ATOM 0 HA CYS A 380 129.935 -5.850 3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 380 130.731 -5.049 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 380 129.253 -4.141 0.979 1.00 0.00 H new ATOM 116 N GLY A 381 127.160 -4.200 2.586 1.00 0.00 N ATOM 117 CA GLY A 381 126.114 -3.436 3.174 1.00 0.00 C ATOM 118 C GLY A 381 124.761 -3.677 2.579 1.00 0.00 C ATOM 119 O GLY A 381 123.789 -3.078 3.014 1.00 0.00 O ATOM 0 H GLY A 381 127.112 -4.312 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 381 126.073 -3.659 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 381 126.356 -2.378 3.078 1.00 0.00 H new ATOM 123 N GLU A 382 124.657 -4.550 1.601 1.00 0.00 N ATOM 124 CA GLU A 382 123.340 -4.849 1.086 1.00 0.00 C ATOM 125 C GLU A 382 122.689 -5.879 1.995 1.00 0.00 C ATOM 126 O GLU A 382 121.484 -5.910 2.175 1.00 0.00 O ATOM 127 CB GLU A 382 123.395 -5.381 -0.339 1.00 0.00 C ATOM 128 CG GLU A 382 122.014 -5.619 -0.931 1.00 0.00 C ATOM 129 CD GLU A 382 122.047 -6.197 -2.308 1.00 0.00 C ATOM 130 OE1 GLU A 382 122.136 -5.428 -3.265 1.00 0.00 O ATOM 131 OE2 GLU A 382 121.971 -7.419 -2.453 1.00 0.00 O ATOM 0 H GLU A 382 125.432 -5.047 1.162 1.00 0.00 H new ATOM 0 HA GLU A 382 122.757 -3.928 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 382 123.937 -4.673 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 382 123.957 -6.315 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 382 121.458 -6.291 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 382 121.470 -4.675 -0.955 1.00 0.00 H new ATOM 138 N VAL A 383 123.521 -6.681 2.615 1.00 0.00 N ATOM 139 CA VAL A 383 123.044 -7.709 3.488 1.00 0.00 C ATOM 140 C VAL A 383 123.311 -7.417 4.940 1.00 0.00 C ATOM 141 O VAL A 383 123.902 -8.221 5.635 1.00 0.00 O ATOM 142 CB VAL A 383 123.518 -9.130 3.137 1.00 0.00 C ATOM 143 CG1 VAL A 383 122.380 -9.897 2.516 1.00 0.00 C ATOM 144 CG2 VAL A 383 124.706 -9.110 2.210 1.00 0.00 C ATOM 0 H VAL A 383 124.536 -6.635 2.526 1.00 0.00 H new ATOM 0 HA VAL A 383 121.967 -7.695 3.322 1.00 0.00 H new ATOM 0 HB VAL A 383 123.835 -9.622 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 383 122.713 -10.904 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 383 121.551 -9.954 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 383 122.051 -9.389 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 383 125.010 -10.133 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 383 124.437 -8.601 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 383 125.531 -8.582 2.688 1.00 0.00 H new ATOM 154 N ILE A 384 122.917 -6.246 5.384 1.00 0.00 N ATOM 155 CA ILE A 384 123.091 -5.862 6.780 1.00 0.00 C ATOM 156 C ILE A 384 121.811 -5.216 7.334 1.00 0.00 C ATOM 157 O ILE A 384 121.623 -4.002 7.278 1.00 0.00 O ATOM 158 CB ILE A 384 124.329 -4.945 7.021 1.00 0.00 C ATOM 159 CG1 ILE A 384 124.289 -3.711 6.110 1.00 0.00 C ATOM 160 CG2 ILE A 384 125.634 -5.719 6.853 1.00 0.00 C ATOM 161 CD1 ILE A 384 125.384 -2.697 6.408 1.00 0.00 C ATOM 0 H ILE A 384 122.472 -5.536 4.803 1.00 0.00 H new ATOM 0 HA ILE A 384 123.287 -6.784 7.327 1.00 0.00 H new ATOM 0 HB ILE A 384 124.287 -4.595 8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 384 124.376 -4.033 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 384 123.318 -3.226 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 384 126.478 -5.052 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 384 125.666 -6.539 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 384 125.692 -6.120 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 384 125.293 -1.852 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 384 125.285 -2.346 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 384 126.359 -3.166 6.277 1.00 0.00 H new ATOM 173 N GLU A 385 120.894 -6.078 7.752 1.00 0.00 N ATOM 174 CA GLU A 385 119.553 -5.717 8.299 1.00 0.00 C ATOM 175 C GLU A 385 118.667 -5.019 7.223 1.00 0.00 C ATOM 176 O GLU A 385 117.524 -4.592 7.476 1.00 0.00 O ATOM 177 CB GLU A 385 119.689 -4.843 9.566 1.00 0.00 C ATOM 178 CG GLU A 385 118.414 -4.756 10.394 1.00 0.00 C ATOM 179 CD GLU A 385 118.024 -6.100 10.959 1.00 0.00 C ATOM 180 OE1 GLU A 385 117.578 -6.984 10.206 1.00 0.00 O ATOM 181 OE2 GLU A 385 118.191 -6.312 12.175 1.00 0.00 O ATOM 0 H GLU A 385 121.049 -7.086 7.727 1.00 0.00 H new ATOM 0 HA GLU A 385 119.052 -6.642 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 385 120.488 -5.245 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 385 119.989 -3.837 9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 385 118.557 -4.046 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 385 117.603 -4.372 9.775 1.00 0.00 H new ATOM 188 N GLU A 386 119.196 -4.955 6.041 1.00 0.00 N ATOM 189 CA GLU A 386 118.561 -4.350 4.916 1.00 0.00 C ATOM 190 C GLU A 386 117.620 -5.378 4.310 1.00 0.00 C ATOM 191 O GLU A 386 118.011 -6.523 4.053 1.00 0.00 O ATOM 192 CB GLU A 386 119.645 -3.992 3.896 1.00 0.00 C ATOM 193 CG GLU A 386 119.526 -2.621 3.231 1.00 0.00 C ATOM 194 CD GLU A 386 119.494 -1.489 4.208 1.00 0.00 C ATOM 195 OE1 GLU A 386 118.416 -1.106 4.638 1.00 0.00 O ATOM 196 OE2 GLU A 386 120.577 -0.961 4.545 1.00 0.00 O ATOM 0 H GLU A 386 120.117 -5.338 5.827 1.00 0.00 H new ATOM 0 HA GLU A 386 118.009 -3.454 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 386 120.614 -4.048 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 386 119.643 -4.752 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 386 120.366 -2.481 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 386 118.619 -2.596 2.627 1.00 0.00 H new ATOM 203 N CYS A 387 116.398 -4.982 4.121 1.00 0.00 N ATOM 204 CA CYS A 387 115.397 -5.811 3.482 1.00 0.00 C ATOM 205 C CYS A 387 115.591 -6.006 1.950 1.00 0.00 C ATOM 206 O CYS A 387 115.318 -7.103 1.490 1.00 0.00 O ATOM 207 CB CYS A 387 114.006 -5.231 3.696 1.00 0.00 C ATOM 208 SG CYS A 387 113.809 -3.554 3.087 1.00 0.00 S ATOM 0 H CYS A 387 116.054 -4.065 4.406 1.00 0.00 H new ATOM 0 HA CYS A 387 115.512 -6.786 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 387 113.277 -5.873 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 387 113.777 -5.248 4.762 1.00 0.00 H new ATOM 213 N PRO A 388 116.100 -4.941 1.142 1.00 0.00 N ATOM 214 CA PRO A 388 116.092 -4.908 -0.334 1.00 0.00 C ATOM 215 C PRO A 388 116.273 -6.268 -1.064 1.00 0.00 C ATOM 216 O PRO A 388 115.316 -7.051 -1.151 1.00 0.00 O ATOM 217 CB PRO A 388 117.190 -3.859 -0.699 1.00 0.00 C ATOM 218 CG PRO A 388 117.845 -3.569 0.598 1.00 0.00 C ATOM 219 CD PRO A 388 116.763 -3.725 1.600 1.00 0.00 C ATOM 0 HA PRO A 388 115.099 -4.636 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 388 117.899 -4.257 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 388 116.755 -2.961 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 388 118.667 -4.258 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 388 118.262 -2.562 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 388 117.155 -3.830 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 388 116.087 -2.870 1.608 1.00 0.00 H new ATOM 227 N ILE A 389 117.457 -6.527 -1.652 1.00 0.00 N ATOM 228 CA ILE A 389 117.752 -7.813 -2.302 1.00 0.00 C ATOM 229 C ILE A 389 116.833 -7.995 -3.555 1.00 0.00 C ATOM 230 O ILE A 389 115.928 -7.169 -3.862 1.00 0.00 O ATOM 231 CB ILE A 389 117.566 -9.035 -1.282 1.00 0.00 C ATOM 232 CG1 ILE A 389 118.248 -8.746 0.064 1.00 0.00 C ATOM 233 CG2 ILE A 389 118.112 -10.371 -1.828 1.00 0.00 C ATOM 234 CD1 ILE A 389 119.733 -8.504 -0.056 1.00 0.00 C ATOM 0 H ILE A 389 118.226 -5.858 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 389 118.794 -7.808 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 389 116.489 -9.135 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 389 117.781 -7.873 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 389 118.078 -9.586 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 389 117.955 -11.157 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 389 117.589 -10.629 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 389 119.178 -10.272 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 389 120.150 -8.306 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 389 120.212 -9.385 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 389 119.911 -7.645 -0.703 1.00 0.00 H new ATOM 246 N ASP A 390 117.016 -9.057 -4.255 1.00 0.00 N ATOM 247 CA ASP A 390 116.211 -9.361 -5.398 1.00 0.00 C ATOM 248 C ASP A 390 114.789 -9.778 -4.973 1.00 0.00 C ATOM 249 O ASP A 390 113.924 -10.005 -5.807 1.00 0.00 O ATOM 250 CB ASP A 390 116.910 -10.409 -6.245 1.00 0.00 C ATOM 251 CG ASP A 390 116.872 -11.798 -5.681 1.00 0.00 C ATOM 252 OD1 ASP A 390 117.625 -12.073 -4.737 1.00 0.00 O ATOM 253 OD2 ASP A 390 116.108 -12.636 -6.176 1.00 0.00 O ATOM 0 H ASP A 390 117.735 -9.751 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 390 116.091 -8.469 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 390 116.453 -10.421 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 390 117.951 -10.114 -6.378 1.00 0.00 H new ATOM 258 N ALA A 391 114.569 -9.811 -3.656 1.00 0.00 N ATOM 259 CA ALA A 391 113.266 -10.029 -3.052 1.00 0.00 C ATOM 260 C ALA A 391 112.511 -8.681 -3.033 1.00 0.00 C ATOM 261 O ALA A 391 111.294 -8.632 -2.848 1.00 0.00 O ATOM 262 CB ALA A 391 113.450 -10.561 -1.634 1.00 0.00 C ATOM 0 H ALA A 391 115.313 -9.683 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 391 112.692 -10.760 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 391 112.474 -10.726 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 391 113.999 -11.502 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 391 114.009 -9.836 -1.043 1.00 0.00 H new ATOM 268 N CYS A 392 113.268 -7.582 -3.198 1.00 0.00 N ATOM 269 CA CYS A 392 112.687 -6.244 -3.373 1.00 0.00 C ATOM 270 C CYS A 392 112.388 -6.053 -4.845 1.00 0.00 C ATOM 271 O CYS A 392 111.786 -5.058 -5.252 1.00 0.00 O ATOM 272 CB CYS A 392 113.654 -5.141 -2.904 1.00 0.00 C ATOM 273 SG CYS A 392 113.018 -3.424 -3.013 1.00 0.00 S ATOM 0 H CYS A 392 114.288 -7.597 -3.213 1.00 0.00 H new ATOM 0 HA CYS A 392 111.781 -6.169 -2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 392 113.929 -5.341 -1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 392 114.567 -5.209 -3.496 1.00 0.00 H new ATOM 278 N PHE A 393 112.897 -7.024 -5.613 1.00 0.00 N ATOM 279 CA PHE A 393 112.745 -7.190 -7.057 1.00 0.00 C ATOM 280 C PHE A 393 113.989 -6.754 -7.734 1.00 0.00 C ATOM 281 O PHE A 393 114.148 -5.580 -7.959 1.00 0.00 O ATOM 282 CB PHE A 393 111.518 -6.486 -7.689 1.00 0.00 C ATOM 283 CG PHE A 393 110.198 -7.164 -7.415 1.00 0.00 C ATOM 284 CD1 PHE A 393 109.743 -8.164 -8.248 1.00 0.00 C ATOM 285 CD2 PHE A 393 109.422 -6.809 -6.322 1.00 0.00 C ATOM 286 CE1 PHE A 393 108.545 -8.797 -8.001 1.00 0.00 C ATOM 287 CE2 PHE A 393 108.223 -7.441 -6.069 1.00 0.00 C ATOM 288 CZ PHE A 393 107.782 -8.438 -6.911 1.00 0.00 C ATOM 0 H PHE A 393 113.467 -7.767 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 393 112.558 -8.253 -7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 393 111.471 -5.463 -7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 393 111.665 -6.427 -8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 393 110.333 -8.454 -9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 393 109.762 -6.026 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 393 108.202 -9.578 -8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 393 107.631 -7.155 -5.212 1.00 0.00 H new ATOM 0 HZ PHE A 393 106.843 -8.936 -6.718 1.00 0.00 H new ATOM 298 N LEU A 394 114.949 -7.709 -7.924 1.00 0.00 N ATOM 299 CA LEU A 394 116.224 -7.444 -8.613 1.00 0.00 C ATOM 300 C LEU A 394 117.168 -6.765 -7.618 1.00 0.00 C ATOM 301 O LEU A 394 116.713 -6.247 -6.595 1.00 0.00 O ATOM 302 CB LEU A 394 116.053 -6.536 -9.877 1.00 0.00 C ATOM 303 CG LEU A 394 115.417 -7.105 -11.164 1.00 0.00 C ATOM 304 CD1 LEU A 394 114.035 -7.691 -10.932 1.00 0.00 C ATOM 305 CD2 LEU A 394 115.327 -5.994 -12.185 1.00 0.00 C ATOM 0 H LEU A 394 114.850 -8.672 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 394 116.627 -8.394 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 394 115.458 -5.674 -9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 394 117.042 -6.164 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 394 116.050 -7.919 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 394 113.640 -8.075 -11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 394 114.101 -8.503 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 394 113.371 -6.916 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 394 114.880 -6.378 -13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 394 114.710 -5.187 -11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 394 116.326 -5.615 -12.400 1.00 0.00 H new ATOM 317 N PRO A 395 118.482 -6.810 -7.837 1.00 0.00 N ATOM 318 CA PRO A 395 119.441 -6.104 -6.991 1.00 0.00 C ATOM 319 C PRO A 395 119.326 -4.585 -7.080 1.00 0.00 C ATOM 320 O PRO A 395 120.267 -3.941 -7.456 1.00 0.00 O ATOM 321 CB PRO A 395 120.815 -6.532 -7.513 1.00 0.00 C ATOM 322 CG PRO A 395 120.579 -7.180 -8.832 1.00 0.00 C ATOM 323 CD PRO A 395 119.151 -7.631 -8.857 1.00 0.00 C ATOM 0 HA PRO A 395 119.264 -6.353 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 395 121.477 -5.672 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 395 121.296 -7.223 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 395 120.775 -6.480 -9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 395 121.252 -8.026 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 395 118.706 -7.481 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 395 119.067 -8.693 -8.628 1.00 0.00 H new ATOM 331 N LYS A 396 118.161 -4.047 -6.679 1.00 0.00 N ATOM 332 CA LYS A 396 117.826 -2.593 -6.556 1.00 0.00 C ATOM 333 C LYS A 396 118.496 -1.604 -7.542 1.00 0.00 C ATOM 334 O LYS A 396 117.855 -1.087 -8.476 1.00 0.00 O ATOM 335 CB LYS A 396 117.840 -2.152 -5.062 1.00 0.00 C ATOM 336 CG LYS A 396 118.634 -3.062 -4.097 1.00 0.00 C ATOM 337 CD LYS A 396 120.082 -2.561 -3.703 1.00 0.00 C ATOM 338 CE LYS A 396 121.155 -2.869 -4.753 1.00 0.00 C ATOM 339 NZ LYS A 396 122.520 -3.010 -4.173 1.00 0.00 N ATOM 0 H LYS A 396 117.374 -4.638 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 396 116.803 -2.517 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 396 118.254 -1.145 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 396 116.810 -2.094 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 396 118.052 -3.184 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 396 118.724 -4.049 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 396 120.050 -1.484 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 396 120.370 -3.022 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 396 120.891 -3.790 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 396 121.164 -2.073 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 123.230 -2.762 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 122.618 -2.374 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 122.667 -3.993 -3.866 1.00 0.00 H new ATOM 353 N SER A 397 119.756 -1.396 -7.332 1.00 0.00 N ATOM 354 CA SER A 397 120.640 -0.558 -8.090 1.00 0.00 C ATOM 355 C SER A 397 121.006 -1.268 -9.414 1.00 0.00 C ATOM 356 O SER A 397 121.893 -0.852 -10.120 1.00 0.00 O ATOM 357 CB SER A 397 121.882 -0.319 -7.206 1.00 0.00 C ATOM 358 OG SER A 397 122.762 0.669 -7.719 1.00 0.00 O ATOM 0 H SER A 397 120.240 -1.848 -6.556 1.00 0.00 H new ATOM 0 HA SER A 397 120.183 0.396 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 397 121.556 -0.022 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 397 122.426 -1.257 -7.097 1.00 0.00 H new ATOM 0 HG SER A 397 122.337 1.550 -7.656 1.00 0.00 H new ATOM 364 N ASP A 398 120.262 -2.336 -9.717 1.00 0.00 N ATOM 365 CA ASP A 398 120.383 -3.111 -10.956 1.00 0.00 C ATOM 366 C ASP A 398 120.459 -2.230 -12.200 1.00 0.00 C ATOM 367 O ASP A 398 121.508 -2.073 -12.788 1.00 0.00 O ATOM 368 CB ASP A 398 119.260 -4.194 -11.018 1.00 0.00 C ATOM 369 CG ASP A 398 119.003 -4.762 -12.399 1.00 0.00 C ATOM 370 OD1 ASP A 398 119.666 -5.738 -12.788 1.00 0.00 O ATOM 371 OD2 ASP A 398 118.109 -4.239 -13.102 1.00 0.00 O ATOM 0 H ASP A 398 119.540 -2.695 -9.092 1.00 0.00 H new ATOM 0 HA ASP A 398 121.339 -3.635 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 398 119.525 -5.011 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 398 118.334 -3.760 -10.641 1.00 0.00 H new ATOM 376 N SER A 399 119.383 -1.685 -12.581 1.00 0.00 N ATOM 377 CA SER A 399 119.281 -0.747 -13.668 1.00 0.00 C ATOM 378 C SER A 399 117.979 0.000 -13.494 1.00 0.00 C ATOM 379 O SER A 399 117.338 0.367 -14.478 1.00 0.00 O ATOM 380 CB SER A 399 119.275 -1.453 -15.046 1.00 0.00 C ATOM 381 OG SER A 399 120.506 -2.122 -15.301 1.00 0.00 O ATOM 0 H SER A 399 118.486 -1.875 -12.134 1.00 0.00 H new ATOM 0 HA SER A 399 120.144 -0.081 -13.647 1.00 0.00 H new ATOM 0 HB2 SER A 399 118.456 -2.171 -15.083 1.00 0.00 H new ATOM 0 HB3 SER A 399 119.091 -0.719 -15.830 1.00 0.00 H new ATOM 0 HG SER A 399 121.052 -2.123 -14.487 1.00 0.00 H new ATOM 387 N ALA A 400 117.618 0.239 -12.203 1.00 0.00 N ATOM 388 CA ALA A 400 116.354 0.852 -11.792 1.00 0.00 C ATOM 389 C ALA A 400 115.222 -0.177 -11.796 1.00 0.00 C ATOM 390 O ALA A 400 114.450 -0.269 -12.757 1.00 0.00 O ATOM 391 CB ALA A 400 115.979 2.107 -12.607 1.00 0.00 C ATOM 0 H ALA A 400 118.220 0.001 -11.415 1.00 0.00 H new ATOM 0 HA ALA A 400 116.504 1.202 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 400 115.031 2.506 -12.246 1.00 0.00 H new ATOM 0 HB2 ALA A 400 116.757 2.861 -12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 400 115.883 1.842 -13.660 1.00 0.00 H new ATOM 397 N ARG A 401 115.194 -1.028 -10.761 1.00 0.00 N ATOM 398 CA ARG A 401 114.148 -2.055 -10.633 1.00 0.00 C ATOM 399 C ARG A 401 112.763 -1.459 -10.429 1.00 0.00 C ATOM 400 O ARG A 401 112.665 -0.252 -10.128 1.00 0.00 O ATOM 401 CB ARG A 401 114.514 -3.105 -9.546 1.00 0.00 C ATOM 402 CG ARG A 401 114.850 -2.619 -8.118 1.00 0.00 C ATOM 403 CD ARG A 401 113.643 -2.339 -7.185 1.00 0.00 C ATOM 404 NE ARG A 401 113.088 -0.978 -7.269 1.00 0.00 N ATOM 405 CZ ARG A 401 112.690 -0.195 -6.211 1.00 0.00 C ATOM 406 NH1 ARG A 401 112.696 -0.653 -4.953 1.00 0.00 N ATOM 407 NH2 ARG A 401 112.217 1.019 -6.447 1.00 0.00 N ATOM 0 H ARG A 401 115.878 -1.027 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 401 114.102 -2.584 -11.585 1.00 0.00 H new ATOM 0 HB2 ARG A 401 113.680 -3.803 -9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 401 115.371 -3.671 -9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 401 115.484 -3.368 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 401 115.440 -1.706 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 401 112.852 -3.052 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 401 113.949 -2.527 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 401 112.989 -0.577 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 401 113.002 -1.607 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 401 112.395 -0.048 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 401 112.151 1.363 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 401 111.918 1.610 -5.671 1.00 0.00 H new ATOM 421 N PRO A 402 111.678 -2.279 -10.673 1.00 0.00 N ATOM 422 CA PRO A 402 110.264 -1.934 -10.449 1.00 0.00 C ATOM 423 C PRO A 402 110.011 -0.898 -9.325 1.00 0.00 C ATOM 424 O PRO A 402 110.752 -0.815 -8.384 1.00 0.00 O ATOM 425 CB PRO A 402 109.683 -3.287 -10.046 1.00 0.00 C ATOM 426 CG PRO A 402 110.449 -4.291 -10.849 1.00 0.00 C ATOM 427 CD PRO A 402 111.746 -3.636 -11.278 1.00 0.00 C ATOM 0 HA PRO A 402 109.827 -1.460 -11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 402 109.800 -3.464 -8.977 1.00 0.00 H new ATOM 0 HB3 PRO A 402 108.616 -3.339 -10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 402 110.648 -5.184 -10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 402 109.873 -4.607 -11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 402 112.612 -4.191 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 402 111.828 -3.586 -12.364 1.00 0.00 H new ATOM 435 N PRO A 403 108.925 -0.143 -9.403 1.00 0.00 N ATOM 436 CA PRO A 403 108.649 0.934 -8.452 1.00 0.00 C ATOM 437 C PRO A 403 108.322 0.437 -7.045 1.00 0.00 C ATOM 438 O PRO A 403 107.965 -0.723 -6.833 1.00 0.00 O ATOM 439 CB PRO A 403 107.442 1.626 -9.035 1.00 0.00 C ATOM 440 CG PRO A 403 106.776 0.575 -9.855 1.00 0.00 C ATOM 441 CD PRO A 403 107.853 -0.317 -10.366 1.00 0.00 C ATOM 0 HA PRO A 403 109.524 1.573 -8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 403 106.781 1.999 -8.253 1.00 0.00 H new ATOM 0 HB3 PRO A 403 107.730 2.483 -9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 403 106.060 0.013 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 403 106.220 1.022 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 403 107.524 -1.355 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 403 108.166 -0.033 -11.371 1.00 0.00 H new ATOM 449 N ASP A 404 108.397 1.332 -6.112 1.00 0.00 N ATOM 450 CA ASP A 404 108.169 1.053 -4.682 1.00 0.00 C ATOM 451 C ASP A 404 106.685 1.075 -4.236 1.00 0.00 C ATOM 452 O ASP A 404 106.340 1.710 -3.251 1.00 0.00 O ATOM 453 CB ASP A 404 108.935 2.060 -3.859 1.00 0.00 C ATOM 454 CG ASP A 404 110.444 1.928 -3.979 1.00 0.00 C ATOM 455 OD1 ASP A 404 111.054 1.038 -3.350 1.00 0.00 O ATOM 456 OD2 ASP A 404 111.040 2.707 -4.769 1.00 0.00 O ATOM 0 H ASP A 404 108.622 2.309 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 404 108.516 0.032 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 404 108.642 3.064 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 404 108.652 1.951 -2.812 1.00 0.00 H new ATOM 461 N CYS A 405 105.829 0.454 -5.002 1.00 0.00 N ATOM 462 CA CYS A 405 104.395 0.195 -4.613 1.00 0.00 C ATOM 463 C CYS A 405 103.551 1.409 -4.370 1.00 0.00 C ATOM 464 O CYS A 405 102.779 1.776 -5.225 1.00 0.00 O ATOM 465 CB CYS A 405 104.258 -0.748 -3.446 1.00 0.00 C ATOM 466 SG CYS A 405 104.252 -2.509 -3.884 1.00 0.00 S ATOM 0 H CYS A 405 106.070 0.096 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 405 104.002 -0.277 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 405 105.077 -0.564 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 405 103.333 -0.517 -2.917 1.00 0.00 H new ATOM 471 N THR A 406 103.610 1.985 -3.170 1.00 0.00 N ATOM 472 CA THR A 406 102.963 3.282 -2.876 1.00 0.00 C ATOM 473 C THR A 406 103.360 4.278 -3.982 1.00 0.00 C ATOM 474 O THR A 406 102.583 5.113 -4.428 1.00 0.00 O ATOM 475 CB THR A 406 103.475 3.802 -1.501 1.00 0.00 C ATOM 476 OG1 THR A 406 102.899 3.078 -0.417 1.00 0.00 O ATOM 477 CG2 THR A 406 103.281 5.291 -1.354 1.00 0.00 C ATOM 0 H THR A 406 104.101 1.577 -2.374 1.00 0.00 H new ATOM 0 HA THR A 406 101.879 3.172 -2.841 1.00 0.00 H new ATOM 0 HB THR A 406 104.549 3.621 -1.470 1.00 0.00 H new ATOM 0 HG1 THR A 406 102.507 2.245 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 406 103.652 5.612 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 406 103.830 5.809 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 406 102.221 5.529 -1.435 1.00 0.00 H new ATOM 485 N ALA A 407 104.572 4.109 -4.389 1.00 0.00 N ATOM 486 CA ALA A 407 105.197 4.750 -5.521 1.00 0.00 C ATOM 487 C ALA A 407 104.328 4.669 -6.842 1.00 0.00 C ATOM 488 O ALA A 407 104.537 5.448 -7.773 1.00 0.00 O ATOM 489 CB ALA A 407 106.523 4.079 -5.660 1.00 0.00 C ATOM 0 H ALA A 407 105.209 3.473 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 407 105.303 5.823 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 407 107.063 4.511 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 407 107.101 4.222 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 407 106.375 3.013 -5.832 1.00 0.00 H new ATOM 495 N VAL A 408 103.393 3.721 -6.913 1.00 0.00 N ATOM 496 CA VAL A 408 102.426 3.638 -8.001 1.00 0.00 C ATOM 497 C VAL A 408 101.016 3.905 -7.427 1.00 0.00 C ATOM 498 O VAL A 408 100.119 4.359 -8.130 1.00 0.00 O ATOM 499 CB VAL A 408 102.436 2.235 -8.730 1.00 0.00 C ATOM 500 CG1 VAL A 408 103.837 1.773 -8.996 1.00 0.00 C ATOM 501 CG2 VAL A 408 101.645 1.149 -7.993 1.00 0.00 C ATOM 0 H VAL A 408 103.287 2.987 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 408 102.701 4.384 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 408 101.924 2.396 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 408 103.812 0.806 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 408 104.345 2.499 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 408 104.374 1.678 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 408 101.698 0.216 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 408 102.069 1.000 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 408 100.604 1.457 -7.900 1.00 0.00 H new ATOM 511 N GLY A 409 100.858 3.652 -6.131 1.00 0.00 N ATOM 512 CA GLY A 409 99.591 3.791 -5.520 1.00 0.00 C ATOM 513 C GLY A 409 99.178 2.598 -4.688 1.00 0.00 C ATOM 514 O GLY A 409 98.001 2.391 -4.483 1.00 0.00 O ATOM 0 H GLY A 409 101.606 3.351 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 409 99.599 4.678 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 409 98.842 3.959 -6.294 1.00 0.00 H new ATOM 518 N ARG A 410 100.127 1.730 -4.336 1.00 0.00 N ATOM 519 CA ARG A 410 99.900 0.634 -3.389 1.00 0.00 C ATOM 520 C ARG A 410 100.314 1.052 -2.003 1.00 0.00 C ATOM 521 O ARG A 410 101.403 0.682 -1.560 1.00 0.00 O ATOM 522 CB ARG A 410 100.723 -0.615 -3.754 1.00 0.00 C ATOM 523 CG ARG A 410 100.088 -1.544 -4.765 1.00 0.00 C ATOM 524 CD ARG A 410 98.542 -1.630 -4.584 1.00 0.00 C ATOM 525 NE ARG A 410 97.778 -0.456 -5.035 1.00 0.00 N ATOM 526 CZ ARG A 410 96.434 -0.413 -5.163 1.00 0.00 C ATOM 527 NH1 ARG A 410 95.701 -1.520 -5.023 1.00 0.00 N ATOM 528 NH2 ARG A 410 95.845 0.732 -5.469 1.00 0.00 N ATOM 0 H ARG A 410 101.079 1.766 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 410 98.837 0.398 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 410 101.689 -0.291 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 410 100.918 -1.179 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 410 100.317 -1.196 -5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 410 100.521 -2.539 -4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 410 98.180 -2.505 -5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 410 98.327 -1.796 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 410 98.302 0.388 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 410 96.155 -2.410 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 410 94.687 -1.476 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 410 96.405 1.573 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 410 94.831 0.773 -5.568 1.00 0.00 H new ATOM 542 N PRO A 411 99.481 1.803 -1.265 1.00 0.00 N ATOM 543 CA PRO A 411 99.873 2.308 0.041 1.00 0.00 C ATOM 544 C PRO A 411 99.823 1.199 1.045 1.00 0.00 C ATOM 545 O PRO A 411 100.414 1.268 2.098 1.00 0.00 O ATOM 546 CB PRO A 411 98.800 3.345 0.345 1.00 0.00 C ATOM 547 CG PRO A 411 97.597 2.813 -0.327 1.00 0.00 C ATOM 548 CD PRO A 411 98.082 2.197 -1.590 1.00 0.00 C ATOM 0 HA PRO A 411 100.883 2.716 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 411 98.643 3.456 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 411 99.072 4.328 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 411 97.092 2.077 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 411 96.878 3.607 -0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 411 97.478 1.336 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 411 98.045 2.901 -2.421 1.00 0.00 H new ATOM 556 N ASP A 412 99.175 0.128 0.645 1.00 0.00 N ATOM 557 CA ASP A 412 98.967 -1.016 1.529 1.00 0.00 C ATOM 558 C ASP A 412 100.282 -1.769 1.636 1.00 0.00 C ATOM 559 O ASP A 412 100.643 -2.353 2.661 1.00 0.00 O ATOM 560 CB ASP A 412 97.856 -1.927 0.959 1.00 0.00 C ATOM 561 CG ASP A 412 97.214 -2.809 2.005 1.00 0.00 C ATOM 562 OD1 ASP A 412 97.664 -2.830 3.162 1.00 0.00 O ATOM 563 OD2 ASP A 412 96.183 -3.437 1.692 1.00 0.00 O ATOM 0 H ASP A 412 98.779 0.017 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 412 98.650 -0.686 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 412 97.089 -1.307 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 412 98.277 -2.554 0.173 1.00 0.00 H new ATOM 568 N CYS A 413 101.051 -1.621 0.604 1.00 0.00 N ATOM 569 CA CYS A 413 102.300 -2.292 0.508 1.00 0.00 C ATOM 570 C CYS A 413 103.376 -1.486 1.155 1.00 0.00 C ATOM 571 O CYS A 413 104.443 -1.961 1.315 1.00 0.00 O ATOM 572 CB CYS A 413 102.638 -2.597 -0.911 1.00 0.00 C ATOM 573 SG CYS A 413 101.392 -3.613 -1.728 1.00 0.00 S ATOM 0 H CYS A 413 100.826 -1.029 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 413 102.219 -3.241 1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 413 102.754 -1.663 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 413 103.599 -3.110 -0.948 1.00 0.00 H new ATOM 578 N ASN A 414 103.084 -0.205 1.454 1.00 0.00 N ATOM 579 CA ASN A 414 103.980 0.619 2.302 1.00 0.00 C ATOM 580 C ASN A 414 104.474 -0.175 3.545 1.00 0.00 C ATOM 581 O ASN A 414 105.578 0.065 4.096 1.00 0.00 O ATOM 582 CB ASN A 414 103.307 1.954 2.701 1.00 0.00 C ATOM 583 CG ASN A 414 104.163 2.853 3.601 1.00 0.00 C ATOM 584 OD1 ASN A 414 104.950 3.672 3.123 1.00 0.00 O ATOM 585 ND2 ASN A 414 103.975 2.758 4.887 1.00 0.00 N ATOM 0 H ASN A 414 102.248 0.280 1.128 1.00 0.00 H new ATOM 0 HA ASN A 414 104.861 0.867 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 414 103.054 2.504 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 414 102.370 1.735 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 414 104.485 3.370 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 414 103.318 2.071 5.257 1.00 0.00 H new ATOM 592 N VAL A 415 103.690 -1.139 3.986 1.00 0.00 N ATOM 593 CA VAL A 415 104.178 -1.968 5.016 1.00 0.00 C ATOM 594 C VAL A 415 105.275 -2.896 4.523 1.00 0.00 C ATOM 595 O VAL A 415 105.077 -3.712 3.620 1.00 0.00 O ATOM 596 CB VAL A 415 103.127 -2.749 5.763 1.00 0.00 C ATOM 597 CG1 VAL A 415 103.821 -3.752 6.657 1.00 0.00 C ATOM 598 CG2 VAL A 415 102.286 -1.807 6.584 1.00 0.00 C ATOM 0 H VAL A 415 102.750 -1.346 3.649 1.00 0.00 H new ATOM 0 HA VAL A 415 104.594 -1.268 5.741 1.00 0.00 H new ATOM 0 HB VAL A 415 102.475 -3.273 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 415 103.075 -4.327 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 415 104.423 -4.426 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 415 104.465 -3.227 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 415 101.527 -2.373 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 415 102.920 -1.280 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 415 101.801 -1.085 5.927 1.00 0.00 H new ATOM 608 N LEU A 416 106.409 -2.710 5.139 1.00 0.00 N ATOM 609 CA LEU A 416 107.635 -3.495 4.937 1.00 0.00 C ATOM 610 C LEU A 416 107.380 -5.053 4.793 1.00 0.00 C ATOM 611 O LEU A 416 107.665 -5.598 3.711 1.00 0.00 O ATOM 612 CB LEU A 416 108.641 -3.155 6.064 1.00 0.00 C ATOM 613 CG LEU A 416 110.134 -3.504 5.839 1.00 0.00 C ATOM 614 CD1 LEU A 416 110.404 -5.004 5.870 1.00 0.00 C ATOM 615 CD2 LEU A 416 110.597 -2.929 4.530 1.00 0.00 C ATOM 0 H LEU A 416 106.528 -1.974 5.835 1.00 0.00 H new ATOM 0 HA LEU A 416 108.064 -3.211 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 416 108.574 -2.085 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 416 108.312 -3.665 6.970 1.00 0.00 H new ATOM 0 HG LEU A 416 110.694 -3.064 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 416 111.466 -5.186 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 416 110.112 -5.406 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 416 109.827 -5.494 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 416 111.647 -3.176 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 416 110.002 -3.347 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 416 110.478 -1.846 4.546 1.00 0.00 H new ATOM 627 N PRO A 417 106.926 -5.825 5.877 1.00 0.00 N ATOM 628 CA PRO A 417 106.588 -7.240 5.712 1.00 0.00 C ATOM 629 C PRO A 417 105.576 -7.400 4.598 1.00 0.00 C ATOM 630 O PRO A 417 104.488 -6.813 4.655 1.00 0.00 O ATOM 631 CB PRO A 417 105.963 -7.665 7.052 1.00 0.00 C ATOM 632 CG PRO A 417 105.862 -6.435 7.881 1.00 0.00 C ATOM 633 CD PRO A 417 106.786 -5.414 7.288 1.00 0.00 C ATOM 0 HA PRO A 417 107.459 -7.843 5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 417 104.980 -8.110 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 417 106.579 -8.416 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 417 104.837 -6.064 7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 417 106.136 -6.646 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 417 106.373 -4.409 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 417 107.750 -5.406 7.797 1.00 0.00 H new ATOM 641 N PHE A 418 105.894 -8.233 3.632 1.00 0.00 N ATOM 642 CA PHE A 418 105.123 -8.293 2.426 1.00 0.00 C ATOM 643 C PHE A 418 103.856 -9.085 2.606 1.00 0.00 C ATOM 644 O PHE A 418 103.904 -10.269 2.947 1.00 0.00 O ATOM 645 CB PHE A 418 105.933 -8.936 1.305 1.00 0.00 C ATOM 646 CG PHE A 418 105.836 -8.168 0.027 1.00 0.00 C ATOM 647 CD1 PHE A 418 106.049 -6.798 0.011 1.00 0.00 C ATOM 648 CD2 PHE A 418 105.492 -8.796 -1.144 1.00 0.00 C ATOM 649 CE1 PHE A 418 105.925 -6.087 -1.158 1.00 0.00 C ATOM 650 CE2 PHE A 418 105.361 -8.088 -2.311 1.00 0.00 C ATOM 651 CZ PHE A 418 105.579 -6.732 -2.315 1.00 0.00 C ATOM 0 H PHE A 418 106.685 -8.877 3.665 1.00 0.00 H new ATOM 0 HA PHE A 418 104.865 -7.266 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 418 106.978 -9.005 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 418 105.581 -9.955 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 418 106.314 -6.286 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 418 105.322 -9.863 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 418 106.100 -5.021 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 418 105.087 -8.595 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 418 105.477 -6.173 -3.233 1.00 0.00 H new ATOM 661 N PRO A 419 102.686 -8.435 2.439 1.00 0.00 N ATOM 662 CA PRO A 419 101.423 -9.132 2.465 1.00 0.00 C ATOM 663 C PRO A 419 101.298 -10.021 1.256 1.00 0.00 C ATOM 664 O PRO A 419 100.969 -11.191 1.379 1.00 0.00 O ATOM 665 CB PRO A 419 100.362 -8.022 2.405 1.00 0.00 C ATOM 666 CG PRO A 419 101.081 -6.742 2.677 1.00 0.00 C ATOM 667 CD PRO A 419 102.513 -6.968 2.282 1.00 0.00 C ATOM 0 HA PRO A 419 101.318 -9.763 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 419 99.880 -7.997 1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 419 99.578 -8.193 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 419 100.645 -5.923 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 419 101.007 -6.471 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 419 102.702 -6.648 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 419 103.199 -6.412 2.921 1.00 0.00 H new ATOM 675 N ASN A 420 101.551 -9.420 0.061 1.00 0.00 N ATOM 676 CA ASN A 420 101.460 -10.089 -1.262 1.00 0.00 C ATOM 677 C ASN A 420 100.209 -10.907 -1.419 1.00 0.00 C ATOM 678 O ASN A 420 100.181 -11.946 -2.078 1.00 0.00 O ATOM 679 CB ASN A 420 102.770 -10.817 -1.749 1.00 0.00 C ATOM 680 CG ASN A 420 103.523 -11.784 -0.794 1.00 0.00 C ATOM 681 OD1 ASN A 420 104.744 -11.846 -0.836 1.00 0.00 O ATOM 682 ND2 ASN A 420 102.854 -12.581 -0.026 1.00 0.00 N ATOM 0 H ASN A 420 101.828 -8.441 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 420 101.371 -9.265 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 420 102.513 -11.382 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 420 103.477 -10.044 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 420 103.344 -13.266 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 420 101.836 -12.524 0.005 1.00 0.00 H new ATOM 689 N ASN A 421 99.180 -10.434 -0.747 1.00 0.00 N ATOM 690 CA ASN A 421 97.902 -11.070 -0.750 1.00 0.00 C ATOM 691 C ASN A 421 96.734 -10.082 -0.579 1.00 0.00 C ATOM 692 O ASN A 421 95.626 -10.487 -0.238 1.00 0.00 O ATOM 693 CB ASN A 421 97.875 -12.074 0.379 1.00 0.00 C ATOM 694 CG ASN A 421 97.631 -13.494 -0.101 1.00 0.00 C ATOM 695 OD1 ASN A 421 96.519 -13.991 -0.014 1.00 0.00 O ATOM 696 ND2 ASN A 421 98.627 -14.103 -0.742 1.00 0.00 N ATOM 0 H ASN A 421 99.220 -9.587 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 421 97.768 -11.547 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 421 98.823 -12.035 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 421 97.095 -11.796 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 421 98.472 -15.012 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 421 99.544 -13.661 -0.796 1.00 0.00 H new ATOM 703 N ILE A 422 96.963 -8.807 -0.872 1.00 0.00 N ATOM 704 CA ILE A 422 95.931 -7.746 -0.691 1.00 0.00 C ATOM 705 C ILE A 422 96.105 -6.610 -1.713 1.00 0.00 C ATOM 706 O ILE A 422 95.140 -6.168 -2.333 1.00 0.00 O ATOM 707 CB ILE A 422 95.937 -7.132 0.744 1.00 0.00 C ATOM 708 CG1 ILE A 422 97.363 -6.826 1.165 1.00 0.00 C ATOM 709 CG2 ILE A 422 95.196 -7.990 1.784 1.00 0.00 C ATOM 710 CD1 ILE A 422 97.501 -6.379 2.572 1.00 0.00 C ATOM 0 H ILE A 422 97.851 -8.464 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 422 94.974 -8.243 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 422 95.373 -6.200 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 422 97.972 -7.718 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 422 97.765 -6.054 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 422 95.241 -7.502 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 422 94.154 -8.106 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 422 95.667 -8.971 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 422 98.551 -6.182 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 422 96.922 -5.468 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 422 97.132 -7.158 3.239 1.00 0.00 H new ATOM 722 N GLY A 423 97.338 -6.163 -1.894 1.00 0.00 N ATOM 723 CA GLY A 423 97.632 -5.073 -2.799 1.00 0.00 C ATOM 724 C GLY A 423 98.642 -5.471 -3.837 1.00 0.00 C ATOM 725 O GLY A 423 98.296 -5.841 -4.952 1.00 0.00 O ATOM 0 H GLY A 423 98.156 -6.546 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 423 96.714 -4.749 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 423 98.008 -4.221 -2.233 1.00 0.00 H new ATOM 729 N CYS A 424 99.840 -5.322 -3.433 1.00 0.00 N ATOM 730 CA CYS A 424 101.131 -5.644 -4.095 1.00 0.00 C ATOM 731 C CYS A 424 101.014 -6.521 -5.361 1.00 0.00 C ATOM 732 O CYS A 424 100.881 -7.752 -5.275 1.00 0.00 O ATOM 733 CB CYS A 424 102.038 -6.322 -3.065 1.00 0.00 C ATOM 734 SG CYS A 424 102.028 -5.524 -1.407 1.00 0.00 S ATOM 0 H CYS A 424 100.009 -4.920 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 424 101.549 -4.702 -4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 424 101.731 -7.362 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 424 103.059 -6.329 -3.446 1.00 0.00 H new ATOM 739 N PRO A 425 101.018 -5.877 -6.550 1.00 0.00 N ATOM 740 CA PRO A 425 100.908 -6.558 -7.832 1.00 0.00 C ATOM 741 C PRO A 425 102.258 -7.015 -8.407 1.00 0.00 C ATOM 742 O PRO A 425 102.296 -7.974 -9.185 1.00 0.00 O ATOM 743 CB PRO A 425 100.323 -5.475 -8.755 1.00 0.00 C ATOM 744 CG PRO A 425 100.228 -4.223 -7.940 1.00 0.00 C ATOM 745 CD PRO A 425 101.058 -4.429 -6.733 1.00 0.00 C ATOM 0 HA PRO A 425 100.312 -7.466 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 425 100.960 -5.323 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 425 99.342 -5.771 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 425 100.582 -3.364 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 425 99.193 -4.019 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 425 102.076 -4.068 -6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 425 100.652 -3.902 -5.870 1.00 0.00 H new ATOM 753 N SER A 426 103.353 -6.388 -7.940 1.00 0.00 N ATOM 754 CA SER A 426 104.701 -6.561 -8.515 1.00 0.00 C ATOM 755 C SER A 426 105.714 -5.485 -8.030 1.00 0.00 C ATOM 756 O SER A 426 106.830 -5.413 -8.547 1.00 0.00 O ATOM 757 CB SER A 426 104.672 -6.592 -10.064 1.00 0.00 C ATOM 758 OG SER A 426 103.908 -5.498 -10.599 1.00 0.00 O ATOM 0 H SER A 426 103.328 -5.744 -7.149 1.00 0.00 H new ATOM 0 HA SER A 426 105.045 -7.528 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 426 105.691 -6.548 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 426 104.244 -7.536 -10.402 1.00 0.00 H new ATOM 0 HG SER A 426 103.910 -5.545 -11.578 1.00 0.00 H new ATOM 764 N CYS A 427 105.344 -4.642 -7.084 1.00 0.00 N ATOM 765 CA CYS A 427 106.267 -3.624 -6.615 1.00 0.00 C ATOM 766 C CYS A 427 106.911 -3.978 -5.221 1.00 0.00 C ATOM 767 O CYS A 427 106.556 -5.000 -4.628 1.00 0.00 O ATOM 768 CB CYS A 427 105.497 -2.340 -6.595 1.00 0.00 C ATOM 769 SG CYS A 427 103.846 -2.496 -5.854 1.00 0.00 S ATOM 0 H CYS A 427 104.429 -4.640 -6.632 1.00 0.00 H new ATOM 0 HA CYS A 427 107.126 -3.545 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 427 106.066 -1.593 -6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 427 105.395 -1.971 -7.616 1.00 0.00 H new ATOM 774 N CYS A 428 107.869 -3.142 -4.728 1.00 0.00 N ATOM 775 CA CYS A 428 108.544 -3.376 -3.410 1.00 0.00 C ATOM 776 C CYS A 428 107.759 -2.575 -2.359 1.00 0.00 C ATOM 777 O CYS A 428 107.071 -1.652 -2.755 1.00 0.00 O ATOM 778 CB CYS A 428 110.019 -2.864 -3.472 1.00 0.00 C ATOM 779 SG CYS A 428 111.158 -3.559 -2.201 1.00 0.00 S ATOM 0 H CYS A 428 108.191 -2.306 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 428 108.562 -4.437 -3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 428 110.422 -3.092 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 428 110.012 -1.779 -3.373 1.00 0.00 H new ATOM 784 N PRO A 429 107.800 -2.919 -1.017 1.00 0.00 N ATOM 785 CA PRO A 429 107.039 -2.181 -0.008 1.00 0.00 C ATOM 786 C PRO A 429 107.475 -0.708 0.184 1.00 0.00 C ATOM 787 O PRO A 429 107.206 0.121 -0.672 1.00 0.00 O ATOM 788 CB PRO A 429 107.202 -3.015 1.274 1.00 0.00 C ATOM 789 CG PRO A 429 108.422 -3.810 1.068 1.00 0.00 C ATOM 790 CD PRO A 429 108.533 -4.051 -0.399 1.00 0.00 C ATOM 0 HA PRO A 429 105.999 -2.072 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 429 107.294 -2.374 2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 429 106.337 -3.658 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 429 109.298 -3.279 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 429 108.366 -4.753 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 429 109.574 -4.072 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 429 108.094 -5.009 -0.678 1.00 0.00 H new ATOM 798 N PHE A 430 108.142 -0.386 1.304 1.00 0.00 N ATOM 799 CA PHE A 430 108.583 0.973 1.592 1.00 0.00 C ATOM 800 C PHE A 430 109.310 0.963 2.926 1.00 0.00 C ATOM 801 O PHE A 430 109.441 -0.097 3.569 1.00 0.00 O ATOM 802 CB PHE A 430 107.373 1.920 1.700 1.00 0.00 C ATOM 803 CG PHE A 430 107.472 3.200 0.894 1.00 0.00 C ATOM 804 CD1 PHE A 430 107.170 3.204 -0.459 1.00 0.00 C ATOM 805 CD2 PHE A 430 107.846 4.390 1.487 1.00 0.00 C ATOM 806 CE1 PHE A 430 107.244 4.362 -1.201 1.00 0.00 C ATOM 807 CE2 PHE A 430 107.920 5.553 0.748 1.00 0.00 C ATOM 808 CZ PHE A 430 107.619 5.539 -0.597 1.00 0.00 C ATOM 0 H PHE A 430 108.386 -1.063 2.027 1.00 0.00 H new ATOM 0 HA PHE A 430 109.235 1.319 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 430 106.481 1.379 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 430 107.231 2.182 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 430 106.872 2.284 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 430 108.083 4.411 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 430 107.008 4.346 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 430 108.214 6.476 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 430 107.678 6.450 -1.175 1.00 0.00 H new ATOM 818 N GLU A 431 109.762 2.123 3.336 1.00 0.00 N ATOM 819 CA GLU A 431 110.430 2.315 4.610 1.00 0.00 C ATOM 820 C GLU A 431 111.708 1.513 4.731 1.00 0.00 C ATOM 821 O GLU A 431 112.729 1.906 4.181 1.00 0.00 O ATOM 822 CB GLU A 431 109.481 2.082 5.806 1.00 0.00 C ATOM 823 CG GLU A 431 108.385 3.119 5.915 1.00 0.00 C ATOM 824 CD GLU A 431 108.933 4.527 5.886 1.00 0.00 C ATOM 825 OE1 GLU A 431 109.369 5.033 6.932 1.00 0.00 O ATOM 826 OE2 GLU A 431 108.945 5.164 4.807 1.00 0.00 O ATOM 0 H GLU A 431 109.677 2.979 2.787 1.00 0.00 H new ATOM 0 HA GLU A 431 110.727 3.363 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 431 109.029 1.095 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 431 110.063 2.081 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 431 107.679 2.988 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 431 107.831 2.965 6.841 1.00 0.00 H new ATOM 833 N CYS A 432 111.633 0.378 5.420 1.00 0.00 N ATOM 834 CA CYS A 432 112.762 -0.557 5.673 1.00 0.00 C ATOM 835 C CYS A 432 113.817 0.016 6.623 1.00 0.00 C ATOM 836 O CYS A 432 114.154 -0.606 7.650 1.00 0.00 O ATOM 837 CB CYS A 432 113.445 -0.997 4.383 1.00 0.00 C ATOM 838 SG CYS A 432 114.533 -2.405 4.553 1.00 0.00 S ATOM 0 H CYS A 432 110.760 0.059 5.839 1.00 0.00 H new ATOM 0 HA CYS A 432 112.304 -1.422 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 432 112.678 -1.235 3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 432 114.018 -0.158 3.988 1.00 0.00 H new ATOM 843 N SER A 433 114.247 1.211 6.334 1.00 0.00 N ATOM 844 CA SER A 433 115.344 1.849 6.976 1.00 0.00 C ATOM 845 C SER A 433 115.099 3.352 6.794 1.00 0.00 C ATOM 846 O SER A 433 114.157 3.711 6.069 1.00 0.00 O ATOM 847 CB SER A 433 116.661 1.397 6.285 1.00 0.00 C ATOM 848 OG SER A 433 116.822 -0.028 6.349 1.00 0.00 O ATOM 0 H SER A 433 113.818 1.787 5.610 1.00 0.00 H new ATOM 0 HA SER A 433 115.431 1.598 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 433 116.656 1.718 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 433 117.511 1.883 6.764 1.00 0.00 H new ATOM 0 HG SER A 433 117.447 -0.318 5.652 1.00 0.00 H new ATOM 854 N PRO A 434 115.843 4.252 7.474 1.00 0.00 N ATOM 855 CA PRO A 434 115.692 5.695 7.271 1.00 0.00 C ATOM 856 C PRO A 434 115.879 6.095 5.817 1.00 0.00 C ATOM 857 O PRO A 434 116.976 5.940 5.268 1.00 0.00 O ATOM 858 CB PRO A 434 116.814 6.301 8.098 1.00 0.00 C ATOM 859 CG PRO A 434 117.080 5.300 9.165 1.00 0.00 C ATOM 860 CD PRO A 434 116.840 3.954 8.531 1.00 0.00 C ATOM 0 HA PRO A 434 114.694 6.029 7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 434 117.702 6.478 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 434 116.520 7.262 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 434 118.103 5.383 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 434 116.420 5.454 10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 434 117.756 3.536 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 434 116.459 3.231 9.252 1.00 0.00 H new ATOM 868 N ASP A 435 114.788 6.550 5.204 1.00 0.00 N ATOM 869 CA ASP A 435 114.784 7.069 3.807 1.00 0.00 C ATOM 870 C ASP A 435 115.076 5.936 2.811 1.00 0.00 C ATOM 871 O ASP A 435 116.237 5.586 2.541 1.00 0.00 O ATOM 872 CB ASP A 435 115.809 8.222 3.668 1.00 0.00 C ATOM 873 CG ASP A 435 115.764 8.939 2.324 1.00 0.00 C ATOM 874 OD1 ASP A 435 114.966 9.896 2.156 1.00 0.00 O ATOM 875 OD2 ASP A 435 116.562 8.598 1.431 1.00 0.00 O ATOM 0 H ASP A 435 113.871 6.576 5.650 1.00 0.00 H new ATOM 0 HA ASP A 435 113.795 7.464 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 435 115.631 8.949 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 435 116.812 7.822 3.821 1.00 0.00 H new ATOM 880 N ASN A 436 114.017 5.331 2.300 1.00 0.00 N ATOM 881 CA ASN A 436 114.138 4.179 1.375 1.00 0.00 C ATOM 882 C ASN A 436 114.581 4.509 -0.087 1.00 0.00 C ATOM 883 O ASN A 436 115.067 3.599 -0.749 1.00 0.00 O ATOM 884 CB ASN A 436 112.874 3.294 1.342 1.00 0.00 C ATOM 885 CG ASN A 436 111.733 3.839 0.501 1.00 0.00 C ATOM 886 OD1 ASN A 436 110.941 4.638 0.973 1.00 0.00 O ATOM 887 ND2 ASN A 436 111.598 3.354 -0.718 1.00 0.00 N ATOM 0 H ASN A 436 113.056 5.607 2.501 1.00 0.00 H new ATOM 0 HA ASN A 436 114.964 3.624 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 436 113.147 2.309 0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 436 112.519 3.155 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 436 110.812 3.646 -1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 436 112.280 2.687 -1.080 1.00 0.00 H new ATOM 894 N PRO A 437 114.369 5.771 -0.653 1.00 0.00 N ATOM 895 CA PRO A 437 114.848 6.144 -2.005 1.00 0.00 C ATOM 896 C PRO A 437 116.297 5.710 -2.353 1.00 0.00 C ATOM 897 O PRO A 437 117.096 5.293 -1.497 1.00 0.00 O ATOM 898 CB PRO A 437 114.701 7.658 -2.025 1.00 0.00 C ATOM 899 CG PRO A 437 113.489 7.883 -1.217 1.00 0.00 C ATOM 900 CD PRO A 437 113.584 6.907 -0.082 1.00 0.00 C ATOM 0 HA PRO A 437 114.269 5.621 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 437 115.571 8.154 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 437 114.586 8.039 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 437 113.445 8.909 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 437 112.587 7.715 -1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 437 114.085 7.345 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 437 112.598 6.584 0.251 1.00 0.00 H new ATOM 908 N MET A 438 116.626 5.863 -3.601 1.00 0.00 N ATOM 909 CA MET A 438 117.876 5.388 -4.132 1.00 0.00 C ATOM 910 C MET A 438 118.270 6.238 -5.316 1.00 0.00 C ATOM 911 O MET A 438 117.407 6.829 -5.976 1.00 0.00 O ATOM 912 CB MET A 438 117.762 3.890 -4.519 1.00 0.00 C ATOM 913 CG MET A 438 119.042 3.261 -5.084 1.00 0.00 C ATOM 914 SD MET A 438 120.462 3.388 -3.966 1.00 0.00 S ATOM 915 CE MET A 438 119.873 2.482 -2.531 1.00 0.00 C ATOM 0 H MET A 438 116.031 6.325 -4.289 1.00 0.00 H new ATOM 0 HA MET A 438 118.654 5.471 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 438 117.458 3.326 -3.637 1.00 0.00 H new ATOM 0 HB3 MET A 438 116.967 3.782 -5.257 1.00 0.00 H new ATOM 0 HG2 MET A 438 118.855 2.210 -5.303 1.00 0.00 H new ATOM 0 HG3 MET A 438 119.289 3.745 -6.029 1.00 0.00 H new ATOM 0 HE1 MET A 438 120.705 2.294 -1.853 1.00 0.00 H new ATOM 0 HE2 MET A 438 119.112 3.069 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 438 119.444 1.533 -2.851 1.00 0.00 H new ATOM 925 N PHE A 439 119.551 6.315 -5.563 1.00 0.00 N ATOM 926 CA PHE A 439 120.103 7.087 -6.629 1.00 0.00 C ATOM 927 C PHE A 439 121.330 6.339 -7.110 1.00 0.00 C ATOM 928 O PHE A 439 122.018 5.709 -6.300 1.00 0.00 O ATOM 929 CB PHE A 439 120.481 8.493 -6.112 1.00 0.00 C ATOM 930 CG PHE A 439 120.850 9.483 -7.183 1.00 0.00 C ATOM 931 CD1 PHE A 439 122.157 9.616 -7.611 1.00 0.00 C ATOM 932 CD2 PHE A 439 119.880 10.281 -7.759 1.00 0.00 C ATOM 933 CE1 PHE A 439 122.490 10.520 -8.592 1.00 0.00 C ATOM 934 CE2 PHE A 439 120.209 11.188 -8.741 1.00 0.00 C ATOM 935 CZ PHE A 439 121.515 11.306 -9.158 1.00 0.00 C ATOM 0 H PHE A 439 120.254 5.826 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 439 119.391 7.220 -7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 439 119.642 8.892 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 439 121.319 8.397 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 439 122.927 9.002 -7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 439 118.853 10.192 -7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 439 123.516 10.612 -8.917 1.00 0.00 H new ATOM 0 HE2 PHE A 439 119.442 11.807 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 439 121.774 12.016 -9.930 1.00 0.00 H new ATOM 945 N THR A 440 121.570 6.392 -8.408 1.00 0.00 N ATOM 946 CA THR A 440 122.653 5.675 -9.062 1.00 0.00 C ATOM 947 C THR A 440 122.375 4.155 -9.156 1.00 0.00 C ATOM 948 O THR A 440 122.526 3.405 -8.177 1.00 0.00 O ATOM 949 CB THR A 440 124.046 5.936 -8.413 1.00 0.00 C ATOM 950 OG1 THR A 440 124.350 7.349 -8.446 1.00 0.00 O ATOM 951 CG2 THR A 440 125.141 5.169 -9.142 1.00 0.00 C ATOM 0 H THR A 440 121.006 6.947 -9.052 1.00 0.00 H new ATOM 0 HA THR A 440 122.692 6.079 -10.074 1.00 0.00 H new ATOM 0 HB THR A 440 124.006 5.591 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 440 123.517 7.862 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 440 126.102 5.369 -8.669 1.00 0.00 H new ATOM 0 HG22 THR A 440 124.929 4.101 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 440 125.176 5.487 -10.184 1.00 0.00 H new ATOM 959 N PRO A 441 121.862 3.705 -10.305 1.00 0.00 N ATOM 960 CA PRO A 441 121.731 2.317 -10.603 1.00 0.00 C ATOM 961 C PRO A 441 122.872 1.873 -11.558 1.00 0.00 C ATOM 962 O PRO A 441 123.926 2.538 -11.595 1.00 0.00 O ATOM 963 CB PRO A 441 120.355 2.274 -11.269 1.00 0.00 C ATOM 964 CG PRO A 441 120.230 3.605 -11.971 1.00 0.00 C ATOM 965 CD PRO A 441 121.295 4.517 -11.384 1.00 0.00 C ATOM 0 HA PRO A 441 121.805 1.646 -9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 441 120.281 1.446 -11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 441 119.562 2.138 -10.533 1.00 0.00 H new ATOM 0 HG2 PRO A 441 120.371 3.489 -13.046 1.00 0.00 H new ATOM 0 HG3 PRO A 441 119.236 4.027 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 441 122.048 4.788 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 441 120.868 5.447 -11.008 1.00 0.00 H new ATOM 973 N SER A 442 122.633 0.799 -12.341 1.00 0.00 N ATOM 974 CA SER A 442 123.616 0.155 -13.225 1.00 0.00 C ATOM 975 C SER A 442 124.594 -0.697 -12.406 1.00 0.00 C ATOM 976 O SER A 442 125.138 -0.227 -11.409 1.00 0.00 O ATOM 977 CB SER A 442 124.391 1.159 -14.099 1.00 0.00 C ATOM 978 OG SER A 442 123.505 1.975 -14.859 1.00 0.00 O ATOM 0 H SER A 442 121.720 0.345 -12.373 1.00 0.00 H new ATOM 0 HA SER A 442 123.051 -0.484 -13.904 1.00 0.00 H new ATOM 0 HB2 SER A 442 125.016 1.789 -13.466 1.00 0.00 H new ATOM 0 HB3 SER A 442 125.059 0.620 -14.771 1.00 0.00 H new ATOM 0 HG SER A 442 124.024 2.604 -15.403 1.00 0.00 H new ATOM 984 N PRO A 443 124.897 -1.953 -12.841 1.00 0.00 N ATOM 985 CA PRO A 443 125.832 -2.857 -12.117 1.00 0.00 C ATOM 986 C PRO A 443 127.287 -2.357 -12.168 1.00 0.00 C ATOM 987 O PRO A 443 128.222 -3.027 -11.698 1.00 0.00 O ATOM 988 CB PRO A 443 125.687 -4.196 -12.864 1.00 0.00 C ATOM 989 CG PRO A 443 124.407 -4.063 -13.617 1.00 0.00 C ATOM 990 CD PRO A 443 124.346 -2.629 -14.031 1.00 0.00 C ATOM 0 HA PRO A 443 125.596 -2.923 -11.055 1.00 0.00 H new ATOM 0 HB2 PRO A 443 126.527 -4.369 -13.536 1.00 0.00 H new ATOM 0 HB3 PRO A 443 125.655 -5.036 -12.171 1.00 0.00 H new ATOM 0 HG2 PRO A 443 124.389 -4.724 -14.483 1.00 0.00 H new ATOM 0 HG3 PRO A 443 123.553 -4.330 -12.994 1.00 0.00 H new ATOM 0 HD2 PRO A 443 124.940 -2.435 -14.924 1.00 0.00 H new ATOM 0 HD3 PRO A 443 123.327 -2.309 -14.249 1.00 0.00 H new ATOM 998 N ASP A 444 127.460 -1.187 -12.745 1.00 0.00 N ATOM 999 CA ASP A 444 128.768 -0.508 -12.794 1.00 0.00 C ATOM 1000 C ASP A 444 128.532 1.001 -12.844 1.00 0.00 C ATOM 1001 O ASP A 444 129.383 1.763 -13.273 1.00 0.00 O ATOM 1002 CB ASP A 444 129.663 -0.973 -13.992 1.00 0.00 C ATOM 1003 CG ASP A 444 131.146 -0.833 -13.674 1.00 0.00 C ATOM 1004 OD1 ASP A 444 131.731 0.253 -13.890 1.00 0.00 O ATOM 1005 OD2 ASP A 444 131.754 -1.820 -13.199 1.00 0.00 O ATOM 0 H ASP A 444 126.708 -0.668 -13.197 1.00 0.00 H new ATOM 0 HA ASP A 444 129.321 -0.779 -11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 444 129.439 -2.012 -14.232 1.00 0.00 H new ATOM 0 HB3 ASP A 444 129.423 -0.383 -14.876 1.00 0.00 H new ATOM 1010 N GLY A 445 127.353 1.413 -12.361 1.00 0.00 N ATOM 1011 CA GLY A 445 126.926 2.836 -12.379 1.00 0.00 C ATOM 1012 C GLY A 445 127.895 3.835 -11.731 1.00 0.00 C ATOM 1013 O GLY A 445 127.992 4.976 -12.162 1.00 0.00 O ATOM 0 H GLY A 445 126.666 0.782 -11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 445 126.766 3.134 -13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 445 125.963 2.913 -11.873 1.00 0.00 H new ATOM 1017 N SER A 446 128.566 3.406 -10.705 1.00 0.00 N ATOM 1018 CA SER A 446 129.503 4.188 -9.936 1.00 0.00 C ATOM 1019 C SER A 446 130.539 3.278 -9.399 1.00 0.00 C ATOM 1020 O SER A 446 130.400 2.067 -9.581 1.00 0.00 O ATOM 1021 CB SER A 446 128.794 4.826 -8.734 1.00 0.00 C ATOM 1022 OG SER A 446 128.232 6.085 -9.069 1.00 0.00 O ATOM 0 H SER A 446 128.474 2.451 -10.359 1.00 0.00 H new ATOM 0 HA SER A 446 129.932 4.960 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 446 128.009 4.159 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 446 129.503 4.949 -7.916 1.00 0.00 H new ATOM 0 HG SER A 446 128.019 6.104 -10.025 1.00 0.00 H new ATOM 1028 N PRO A 447 131.663 3.834 -8.846 1.00 0.00 N ATOM 1029 CA PRO A 447 132.589 3.069 -8.035 1.00 0.00 C ATOM 1030 C PRO A 447 131.764 2.318 -6.988 1.00 0.00 C ATOM 1031 O PRO A 447 131.178 2.937 -6.078 1.00 0.00 O ATOM 1032 CB PRO A 447 133.462 4.151 -7.347 1.00 0.00 C ATOM 1033 CG PRO A 447 132.860 5.463 -7.738 1.00 0.00 C ATOM 1034 CD PRO A 447 132.127 5.215 -9.011 1.00 0.00 C ATOM 0 HA PRO A 447 133.191 2.350 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 447 133.460 4.026 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 447 134.500 4.083 -7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 447 132.185 5.829 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 447 133.631 6.221 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 447 131.297 5.909 -9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 447 132.775 5.324 -9.880 1.00 0.00 H new ATOM 1042 N PRO A 448 131.632 1.004 -7.152 1.00 0.00 N ATOM 1043 CA PRO A 448 130.739 0.171 -6.346 1.00 0.00 C ATOM 1044 C PRO A 448 131.057 0.174 -4.856 1.00 0.00 C ATOM 1045 O PRO A 448 130.185 -0.116 -4.049 1.00 0.00 O ATOM 1046 CB PRO A 448 130.957 -1.237 -6.905 1.00 0.00 C ATOM 1047 CG PRO A 448 131.452 -1.013 -8.276 1.00 0.00 C ATOM 1048 CD PRO A 448 132.315 0.203 -8.175 1.00 0.00 C ATOM 0 HA PRO A 448 129.716 0.542 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 448 131.679 -1.795 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 448 130.031 -1.812 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 448 132.018 -1.871 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 448 130.629 -0.857 -8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 448 133.334 -0.048 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 448 132.381 0.732 -9.126 1.00 0.00 H new ATOM 1056 N ASN A 449 132.313 0.478 -4.524 1.00 0.00 N ATOM 1057 CA ASN A 449 132.853 0.501 -3.147 1.00 0.00 C ATOM 1058 C ASN A 449 132.712 -0.850 -2.436 1.00 0.00 C ATOM 1059 O ASN A 449 132.204 -1.813 -3.022 1.00 0.00 O ATOM 1060 CB ASN A 449 132.355 1.701 -2.269 1.00 0.00 C ATOM 1061 CG ASN A 449 130.883 1.644 -1.802 1.00 0.00 C ATOM 1062 OD1 ASN A 449 129.984 2.184 -2.467 1.00 0.00 O ATOM 1063 ND2 ASN A 449 130.620 1.015 -0.671 1.00 0.00 N ATOM 0 H ASN A 449 133.013 0.725 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 449 133.920 0.682 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 449 132.991 1.766 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 449 132.499 2.622 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 449 129.661 0.965 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 449 131.376 0.579 -0.142 1.00 0.00 H new ATOM 1070 N CYS A 450 133.220 -0.944 -1.198 1.00 0.00 N ATOM 1071 CA CYS A 450 133.177 -2.201 -0.426 1.00 0.00 C ATOM 1072 C CYS A 450 134.015 -3.298 -1.077 1.00 0.00 C ATOM 1073 O CYS A 450 133.646 -4.473 -1.055 1.00 0.00 O ATOM 1074 CB CYS A 450 131.739 -2.662 -0.182 1.00 0.00 C ATOM 1075 SG CYS A 450 130.861 -1.696 1.075 1.00 0.00 S ATOM 0 H CYS A 450 133.665 -0.168 -0.708 1.00 0.00 H new ATOM 0 HA CYS A 450 133.623 -1.994 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 450 131.186 -2.607 -1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 450 131.750 -3.709 0.121 1.00 0.00 H new ATOM 1080 N SER A 451 135.184 -2.856 -1.581 1.00 0.00 N ATOM 1081 CA SER A 451 136.234 -3.629 -2.249 1.00 0.00 C ATOM 1082 C SER A 451 136.399 -3.301 -3.736 1.00 0.00 C ATOM 1083 O SER A 451 137.490 -2.900 -4.133 1.00 0.00 O ATOM 1084 CB SER A 451 136.237 -5.127 -1.975 1.00 0.00 C ATOM 1085 OG SER A 451 136.241 -5.410 -0.577 1.00 0.00 O ATOM 0 H SER A 451 135.432 -1.868 -1.524 1.00 0.00 H new ATOM 0 HA SER A 451 137.135 -3.270 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 451 135.360 -5.582 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 451 137.113 -5.580 -2.440 1.00 0.00 H new ATOM 0 HG SER A 451 135.327 -5.354 -0.229 1.00 0.00 H new ATOM 1091 N PRO A 452 135.373 -3.436 -4.610 1.00 0.00 N ATOM 1092 CA PRO A 452 135.532 -3.048 -5.995 1.00 0.00 C ATOM 1093 C PRO A 452 135.481 -1.532 -6.123 1.00 0.00 C ATOM 1094 O PRO A 452 134.445 -0.984 -6.402 1.00 0.00 O ATOM 1095 CB PRO A 452 134.343 -3.703 -6.729 1.00 0.00 C ATOM 1096 CG PRO A 452 133.693 -4.586 -5.711 1.00 0.00 C ATOM 1097 CD PRO A 452 134.034 -3.995 -4.376 1.00 0.00 C ATOM 0 HA PRO A 452 136.488 -3.365 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 452 133.647 -2.951 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 452 134.681 -4.278 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 452 132.614 -4.622 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 452 134.060 -5.609 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 452 133.320 -3.227 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 452 134.040 -4.748 -3.588 1.00 0.00 H new ATOM 1105 N THR A 453 136.607 -0.915 -5.799 1.00 0.00 N ATOM 1106 CA THR A 453 136.905 0.539 -5.791 1.00 0.00 C ATOM 1107 C THR A 453 138.219 0.713 -5.015 1.00 0.00 C ATOM 1108 O THR A 453 138.955 1.687 -5.206 1.00 0.00 O ATOM 1109 CB THR A 453 135.765 1.457 -5.159 1.00 0.00 C ATOM 1110 OG1 THR A 453 134.597 1.455 -5.977 1.00 0.00 O ATOM 1111 CG2 THR A 453 136.205 2.905 -4.957 1.00 0.00 C ATOM 0 H THR A 453 137.421 -1.455 -5.505 1.00 0.00 H new ATOM 0 HA THR A 453 136.975 0.874 -6.826 1.00 0.00 H new ATOM 0 HB THR A 453 135.550 1.024 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 453 134.597 0.656 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 453 135.385 3.478 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 453 137.062 2.934 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 453 136.482 3.338 -5.918 1.00 0.00 H new