USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 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 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl 179:sc= -0.0508 (180deg=-0.0514) USER MOD Single : A 433 MET CE :methyl -157:sc= -0.0709 (180deg=-0.933) USER MOD Single : A 434 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 436 GLN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0845 X(o=-0.085,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 477 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc=-0.000258 USER MOD Single : A 484 GLN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -12.145 -68.767 -37.592 1.00 25.00 N ATOM 114 CA GLU A 419 -11.783 -67.461 -38.141 1.00 25.00 C ATOM 115 C GLU A 419 -11.655 -67.547 -39.659 1.00 25.00 C ATOM 116 O GLU A 419 -11.962 -66.601 -40.353 1.00 25.00 O ATOM 117 CB GLU A 419 -10.473 -66.965 -37.518 1.00 25.00 C ATOM 118 CG GLU A 419 -10.588 -66.715 -36.010 1.00 25.00 C ATOM 119 CD GLU A 419 -9.280 -66.241 -35.389 1.00 25.00 C ATOM 120 OE1 GLU A 419 -8.773 -66.908 -34.455 1.00 25.00 O ATOM 121 OE2 GLU A 419 -8.759 -65.191 -35.815 1.00 25.00 O ATOM 0 HA GLU A 419 -12.570 -66.747 -37.898 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -9.688 -67.699 -37.701 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -10.168 -66.043 -38.012 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -11.362 -65.970 -35.828 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -10.907 -67.633 -35.517 1.00 25.00 H new ATOM 128 N VAL A 420 -11.234 -68.697 -40.173 1.00 25.00 N ATOM 129 CA VAL A 420 -11.172 -68.922 -41.623 1.00 25.00 C ATOM 130 C VAL A 420 -12.576 -68.801 -42.227 1.00 25.00 C ATOM 131 O VAL A 420 -12.745 -68.325 -43.350 1.00 25.00 O ATOM 132 CB VAL A 420 -10.553 -70.325 -41.950 1.00 25.00 C ATOM 133 CG1 VAL A 420 -10.695 -70.680 -43.442 1.00 25.00 C ATOM 134 CG2 VAL A 420 -9.071 -70.344 -41.582 1.00 25.00 C ATOM 0 H VAL A 420 -10.929 -69.492 -39.612 1.00 25.00 H new ATOM 0 HA VAL A 420 -10.526 -68.162 -42.064 1.00 25.00 H new ATOM 0 HB VAL A 420 -11.100 -71.062 -41.363 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -10.254 -71.659 -43.627 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -11.751 -70.701 -43.712 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -10.181 -69.931 -44.045 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -8.651 -71.323 -41.813 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -8.544 -69.579 -42.153 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -8.958 -70.143 -40.517 1.00 25.00 H new ATOM 144 N SER A 421 -13.594 -69.208 -41.484 1.00 25.00 N ATOM 145 CA SER A 421 -14.964 -69.106 -41.980 1.00 25.00 C ATOM 146 C SER A 421 -15.392 -67.641 -42.057 1.00 25.00 C ATOM 147 O SER A 421 -16.071 -67.231 -42.998 1.00 25.00 O ATOM 148 CB SER A 421 -15.918 -69.873 -41.071 1.00 25.00 C ATOM 149 OG SER A 421 -15.521 -71.235 -40.961 1.00 25.00 O ATOM 0 H SER A 421 -13.504 -69.606 -40.549 1.00 25.00 H new ATOM 0 HA SER A 421 -15.000 -69.541 -42.979 1.00 25.00 H new ATOM 0 HB2 SER A 421 -15.936 -69.413 -40.083 1.00 25.00 H new ATOM 0 HB3 SER A 421 -16.932 -69.815 -41.468 1.00 25.00 H new ATOM 0 HG SER A 421 -16.144 -71.711 -40.373 1.00 25.00 H new ATOM 155 N ASP A 422 -14.980 -66.853 -41.074 1.00 25.00 N ATOM 156 CA ASP A 422 -15.307 -65.425 -41.047 1.00 25.00 C ATOM 157 C ASP A 422 -14.506 -64.705 -42.115 1.00 25.00 C ATOM 158 O ASP A 422 -14.969 -63.738 -42.720 1.00 25.00 O ATOM 159 CB ASP A 422 -14.979 -64.817 -39.678 1.00 25.00 C ATOM 160 CG ASP A 422 -15.836 -65.387 -38.560 1.00 25.00 C ATOM 161 OD1 ASP A 422 -15.273 -65.703 -37.486 1.00 25.00 O ATOM 162 OD2 ASP A 422 -17.066 -65.510 -38.743 1.00 25.00 O ATOM 0 H ASP A 422 -14.420 -67.173 -40.284 1.00 25.00 H new ATOM 0 HA ASP A 422 -16.375 -65.311 -41.235 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -13.928 -64.993 -39.450 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -15.119 -63.737 -39.722 1.00 25.00 H new ATOM 167 N MET A 423 -13.301 -65.198 -42.353 1.00 25.00 N ATOM 168 CA MET A 423 -12.417 -64.642 -43.368 1.00 25.00 C ATOM 169 C MET A 423 -13.076 -64.781 -44.719 1.00 25.00 C ATOM 170 O MET A 423 -13.089 -63.852 -45.501 1.00 25.00 O ATOM 171 CB MET A 423 -11.083 -65.384 -43.385 1.00 25.00 C ATOM 172 CG MET A 423 -9.958 -64.640 -42.708 1.00 25.00 C ATOM 173 SD MET A 423 -8.741 -65.760 -41.943 1.00 25.00 S ATOM 174 CE MET A 423 -8.257 -66.818 -43.334 1.00 25.00 C ATOM 0 H MET A 423 -12.908 -65.993 -41.850 1.00 25.00 H new ATOM 0 HA MET A 423 -12.231 -63.593 -43.139 1.00 25.00 H new ATOM 0 HB2 MET A 423 -11.210 -66.351 -42.898 1.00 25.00 H new ATOM 0 HB3 MET A 423 -10.803 -65.583 -44.419 1.00 25.00 H new ATOM 0 HG2 MET A 423 -9.455 -64.006 -43.438 1.00 25.00 H new ATOM 0 HG3 MET A 423 -10.371 -63.981 -41.944 1.00 25.00 H new ATOM 0 HE1 MET A 423 -7.505 -67.533 -43.002 1.00 25.00 H new ATOM 0 HE2 MET A 423 -9.130 -67.355 -43.704 1.00 25.00 H new ATOM 0 HE3 MET A 423 -7.845 -66.202 -44.133 1.00 25.00 H new ATOM 184 N ALA A 424 -13.640 -65.946 -44.987 1.00 25.00 N ATOM 185 CA ALA A 424 -14.253 -66.194 -46.282 1.00 25.00 C ATOM 186 C ALA A 424 -15.429 -65.238 -46.513 1.00 25.00 C ATOM 187 O ALA A 424 -15.669 -64.782 -47.633 1.00 25.00 O ATOM 188 CB ALA A 424 -14.717 -67.653 -46.369 1.00 25.00 C ATOM 0 H ALA A 424 -13.687 -66.728 -44.334 1.00 25.00 H new ATOM 0 HA ALA A 424 -13.513 -66.014 -47.062 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -15.175 -67.832 -47.342 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -13.860 -68.315 -46.244 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -15.446 -67.851 -45.583 1.00 25.00 H new ATOM 194 N ALA A 425 -16.151 -64.933 -45.445 1.00 25.00 N ATOM 195 CA ALA A 425 -17.296 -64.038 -45.532 1.00 25.00 C ATOM 196 C ALA A 425 -16.862 -62.595 -45.820 1.00 25.00 C ATOM 197 O ALA A 425 -17.422 -61.933 -46.695 1.00 25.00 O ATOM 198 CB ALA A 425 -18.095 -64.095 -44.225 1.00 25.00 C ATOM 0 H ALA A 425 -15.965 -65.292 -44.508 1.00 25.00 H new ATOM 0 HA ALA A 425 -17.923 -64.368 -46.361 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -18.951 -63.424 -44.293 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -18.444 -65.114 -44.056 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -17.458 -63.788 -43.396 1.00 25.00 H new ATOM 204 N VAL A 426 -15.880 -62.104 -45.076 1.00 25.00 N ATOM 205 CA VAL A 426 -15.435 -60.723 -45.234 1.00 25.00 C ATOM 206 C VAL A 426 -14.688 -60.533 -46.548 1.00 25.00 C ATOM 207 O VAL A 426 -14.826 -59.502 -47.194 1.00 25.00 O ATOM 208 CB VAL A 426 -14.598 -60.258 -44.006 1.00 25.00 C ATOM 209 CG1 VAL A 426 -13.259 -60.966 -43.898 1.00 25.00 C ATOM 210 CG2 VAL A 426 -14.404 -58.754 -44.026 1.00 25.00 C ATOM 0 H VAL A 426 -15.379 -62.634 -44.363 1.00 25.00 H new ATOM 0 HA VAL A 426 -16.318 -60.085 -45.276 1.00 25.00 H new ATOM 0 HB VAL A 426 -15.170 -60.533 -43.120 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -12.723 -60.599 -43.023 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -13.422 -62.039 -43.800 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -12.670 -60.769 -44.794 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -13.817 -58.451 -43.159 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -13.880 -58.467 -44.938 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -15.376 -58.261 -43.996 1.00 25.00 H new ATOM 220 N GLU A 427 -13.927 -61.535 -46.951 1.00 25.00 N ATOM 221 CA GLU A 427 -13.211 -61.495 -48.226 1.00 25.00 C ATOM 222 C GLU A 427 -14.214 -61.331 -49.358 1.00 25.00 C ATOM 223 O GLU A 427 -14.039 -60.492 -50.232 1.00 25.00 O ATOM 224 CB GLU A 427 -12.409 -62.780 -48.452 1.00 25.00 C ATOM 225 CG GLU A 427 -11.048 -62.808 -47.756 1.00 25.00 C ATOM 226 CD GLU A 427 -10.345 -64.155 -47.923 1.00 25.00 C ATOM 227 OE1 GLU A 427 -9.989 -64.784 -46.898 1.00 25.00 O ATOM 228 OE2 GLU A 427 -10.134 -64.581 -49.084 1.00 25.00 O ATOM 0 H GLU A 427 -13.785 -62.392 -46.416 1.00 25.00 H new ATOM 0 HA GLU A 427 -12.518 -60.654 -48.204 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -12.999 -63.628 -48.103 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -12.258 -62.916 -49.523 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -10.417 -62.017 -48.162 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -11.180 -62.597 -46.695 1.00 25.00 H new ATOM 235 N ALA A 428 -15.280 -62.120 -49.343 1.00 25.00 N ATOM 236 CA ALA A 428 -16.291 -62.028 -50.391 1.00 25.00 C ATOM 237 C ALA A 428 -16.939 -60.639 -50.388 1.00 25.00 C ATOM 238 O ALA A 428 -17.196 -60.055 -51.448 1.00 25.00 O ATOM 239 CB ALA A 428 -17.351 -63.119 -50.192 1.00 25.00 C ATOM 0 H ALA A 428 -15.467 -62.822 -48.628 1.00 25.00 H new ATOM 0 HA ALA A 428 -15.812 -62.178 -51.358 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -18.102 -63.044 -50.978 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -16.877 -64.099 -50.236 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -17.828 -62.990 -49.221 1.00 25.00 H new ATOM 245 N ALA A 429 -17.188 -60.115 -49.197 1.00 25.00 N ATOM 246 CA ALA A 429 -17.815 -58.808 -49.052 1.00 25.00 C ATOM 247 C ALA A 429 -16.922 -57.688 -49.591 1.00 25.00 C ATOM 248 O ALA A 429 -17.383 -56.824 -50.333 1.00 25.00 O ATOM 249 CB ALA A 429 -18.148 -58.555 -47.578 1.00 25.00 C ATOM 0 H ALA A 429 -16.965 -60.575 -48.315 1.00 25.00 H new ATOM 0 HA ALA A 429 -18.733 -58.808 -49.640 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -18.617 -57.576 -47.474 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -18.832 -59.325 -47.222 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -17.232 -58.583 -46.988 1.00 25.00 H new ATOM 255 N GLU A 430 -15.650 -57.676 -49.224 1.00 25.00 N ATOM 256 CA GLU A 430 -14.772 -56.607 -49.686 1.00 25.00 C ATOM 257 C GLU A 430 -14.500 -56.754 -51.177 1.00 25.00 C ATOM 258 O GLU A 430 -14.329 -55.756 -51.873 1.00 25.00 O ATOM 259 CB GLU A 430 -13.474 -56.514 -48.871 1.00 25.00 C ATOM 260 CG GLU A 430 -12.491 -57.654 -49.051 1.00 25.00 C ATOM 261 CD GLU A 430 -11.197 -57.403 -48.291 1.00 25.00 C ATOM 262 OE1 GLU A 430 -11.244 -57.258 -47.049 1.00 25.00 O ATOM 263 OE2 GLU A 430 -10.129 -57.337 -48.942 1.00 25.00 O ATOM 0 H GLU A 430 -15.209 -58.373 -48.624 1.00 25.00 H new ATOM 0 HA GLU A 430 -15.291 -55.662 -49.524 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -12.971 -55.583 -49.132 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -13.736 -56.450 -47.815 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -12.943 -58.583 -48.704 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -12.272 -57.782 -50.111 1.00 25.00 H new ATOM 270 N LEU A 431 -14.483 -57.978 -51.685 1.00 25.00 N ATOM 271 CA LEU A 431 -14.266 -58.186 -53.112 1.00 25.00 C ATOM 272 C LEU A 431 -15.392 -57.547 -53.912 1.00 25.00 C ATOM 273 O LEU A 431 -15.124 -56.894 -54.925 1.00 25.00 O ATOM 274 CB LEU A 431 -14.171 -59.681 -53.447 1.00 25.00 C ATOM 275 CG LEU A 431 -12.811 -60.346 -53.160 1.00 25.00 C ATOM 276 CD1 LEU A 431 -12.962 -61.864 -53.230 1.00 25.00 C ATOM 277 CD2 LEU A 431 -11.733 -59.895 -54.154 1.00 25.00 C ATOM 0 H LEU A 431 -14.615 -58.831 -51.141 1.00 25.00 H new ATOM 0 HA LEU A 431 -13.320 -57.715 -53.380 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -14.939 -60.210 -52.883 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -14.403 -59.813 -54.504 1.00 25.00 H new ATOM 0 HG LEU A 431 -12.495 -60.042 -52.162 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -12.000 -62.335 -53.027 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -13.690 -62.192 -52.488 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -13.303 -62.150 -54.225 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -10.790 -60.387 -53.916 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -12.037 -60.162 -55.166 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -11.605 -58.815 -54.087 1.00 25.00 H new ATOM 289 N GLU A 432 -16.640 -57.706 -53.487 1.00 25.00 N ATOM 290 CA GLU A 432 -17.746 -57.070 -54.209 1.00 25.00 C ATOM 291 C GLU A 432 -17.789 -55.551 -53.964 1.00 25.00 C ATOM 292 O GLU A 432 -18.108 -54.779 -54.879 1.00 25.00 O ATOM 293 CB GLU A 432 -19.104 -57.741 -53.925 1.00 25.00 C ATOM 294 CG GLU A 432 -19.714 -57.526 -52.546 1.00 25.00 C ATOM 295 CD GLU A 432 -21.219 -57.374 -52.631 1.00 25.00 C ATOM 296 OE1 GLU A 432 -21.696 -56.217 -52.578 1.00 25.00 O ATOM 297 OE2 GLU A 432 -21.926 -58.394 -52.769 1.00 25.00 O ATOM 0 H GLU A 432 -16.912 -58.253 -52.670 1.00 25.00 H new ATOM 0 HA GLU A 432 -17.550 -57.219 -55.271 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -19.818 -57.386 -54.669 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -18.989 -58.814 -54.080 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -19.467 -58.369 -51.901 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -19.281 -56.636 -52.089 1.00 25.00 H new ATOM 304 N MET A 433 -17.447 -55.110 -52.757 1.00 25.00 N ATOM 305 CA MET A 433 -17.436 -53.678 -52.451 1.00 25.00 C ATOM 306 C MET A 433 -16.360 -52.974 -53.251 1.00 25.00 C ATOM 307 O MET A 433 -16.531 -51.826 -53.638 1.00 25.00 O ATOM 308 CB MET A 433 -17.215 -53.421 -50.960 1.00 25.00 C ATOM 309 CG MET A 433 -18.480 -53.588 -50.135 1.00 25.00 C ATOM 310 SD MET A 433 -18.263 -53.081 -48.405 1.00 25.00 S ATOM 311 CE MET A 433 -17.287 -54.435 -47.732 1.00 25.00 C ATOM 0 H MET A 433 -17.176 -55.714 -51.981 1.00 25.00 H new ATOM 0 HA MET A 433 -18.413 -53.280 -52.725 1.00 25.00 H new ATOM 0 HB2 MET A 433 -16.452 -54.105 -50.588 1.00 25.00 H new ATOM 0 HB3 MET A 433 -16.830 -52.410 -50.824 1.00 25.00 H new ATOM 0 HG2 MET A 433 -19.281 -53.000 -50.583 1.00 25.00 H new ATOM 0 HG3 MET A 433 -18.794 -54.631 -50.167 1.00 25.00 H new ATOM 0 HE1 MET A 433 -17.422 -54.479 -46.651 1.00 25.00 H new ATOM 0 HE2 MET A 433 -17.613 -55.375 -48.177 1.00 25.00 H new ATOM 0 HE3 MET A 433 -16.234 -54.272 -47.960 1.00 25.00 H new ATOM 321 N THR A 434 -15.260 -53.660 -53.526 1.00 25.00 N ATOM 322 CA THR A 434 -14.192 -53.092 -54.349 1.00 25.00 C ATOM 323 C THR A 434 -14.746 -52.745 -55.730 1.00 25.00 C ATOM 324 O THR A 434 -14.377 -51.733 -56.316 1.00 25.00 O ATOM 325 CB THR A 434 -12.995 -54.068 -54.493 1.00 25.00 C ATOM 326 OG1 THR A 434 -12.466 -54.369 -53.202 1.00 25.00 O ATOM 327 CG2 THR A 434 -11.867 -53.449 -55.301 1.00 25.00 C ATOM 0 H THR A 434 -15.080 -54.608 -53.195 1.00 25.00 H new ATOM 0 HA THR A 434 -13.827 -52.192 -53.855 1.00 25.00 H new ATOM 0 HB THR A 434 -13.364 -54.961 -54.997 1.00 25.00 H new ATOM 0 HG1 THR A 434 -13.010 -55.066 -52.780 1.00 25.00 H new ATOM 0 HG21 THR A 434 -11.045 -54.160 -55.382 1.00 25.00 H new ATOM 0 HG22 THR A 434 -12.229 -53.198 -56.298 1.00 25.00 H new ATOM 0 HG23 THR A 434 -11.517 -52.545 -54.803 1.00 25.00 H new ATOM 335 N ARG A 435 -15.652 -53.561 -56.256 1.00 25.00 N ATOM 336 CA ARG A 435 -16.228 -53.264 -57.572 1.00 25.00 C ATOM 337 C ARG A 435 -17.062 -52.005 -57.444 1.00 25.00 C ATOM 338 O ARG A 435 -16.993 -51.122 -58.281 1.00 25.00 O ATOM 339 CB ARG A 435 -17.121 -54.403 -58.098 1.00 25.00 C ATOM 340 CG ARG A 435 -16.591 -55.817 -57.882 1.00 25.00 C ATOM 341 CD ARG A 435 -15.250 -56.089 -58.554 1.00 25.00 C ATOM 342 NE ARG A 435 -14.422 -56.924 -57.672 1.00 25.00 N ATOM 343 CZ ARG A 435 -13.313 -57.561 -58.020 1.00 25.00 C ATOM 344 NH1 ARG A 435 -12.828 -57.518 -59.237 1.00 25.00 N ATOM 345 NH2 ARG A 435 -12.683 -58.256 -57.117 1.00 25.00 N ATOM 0 H ARG A 435 -15.999 -54.411 -55.811 1.00 25.00 H new ATOM 0 HA ARG A 435 -15.410 -53.140 -58.282 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -18.097 -54.324 -57.619 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -17.277 -54.253 -59.166 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -16.492 -55.997 -56.811 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -17.325 -56.530 -58.258 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -15.405 -56.591 -59.509 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -14.740 -55.149 -58.767 1.00 25.00 H new ATOM 0 HE ARG A 435 -14.729 -57.022 -56.704 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -13.307 -56.979 -59.958 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -11.971 -58.023 -59.463 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -13.045 -58.302 -56.165 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -11.828 -58.754 -57.362 1.00 25.00 H new ATOM 359 N GLN A 436 -17.844 -51.927 -56.379 1.00 25.00 N ATOM 360 CA GLN A 436 -18.729 -50.787 -56.173 1.00 25.00 C ATOM 361 C GLN A 436 -17.967 -49.470 -56.044 1.00 25.00 C ATOM 362 O GLN A 436 -18.348 -48.476 -56.652 1.00 25.00 O ATOM 363 CB GLN A 436 -19.601 -51.004 -54.953 1.00 25.00 C ATOM 364 CG GLN A 436 -20.832 -51.784 -55.308 1.00 25.00 C ATOM 365 CD GLN A 436 -21.357 -52.550 -54.151 1.00 25.00 C ATOM 366 OE1 GLN A 436 -22.107 -52.040 -53.338 1.00 25.00 O ATOM 367 NE2 GLN A 436 -20.959 -53.777 -54.062 1.00 25.00 N ATOM 0 H GLN A 436 -17.886 -52.635 -55.646 1.00 25.00 H new ATOM 0 HA GLN A 436 -19.358 -50.713 -57.060 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -19.036 -51.536 -54.187 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -19.885 -50.041 -54.528 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -21.601 -51.102 -55.671 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -20.604 -52.470 -56.124 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -20.330 -54.162 -54.767 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -21.274 -54.360 -53.287 1.00 25.00 H new ATOM 376 N VAL A 437 -16.893 -49.455 -55.267 1.00 25.00 N ATOM 377 CA VAL A 437 -16.130 -48.222 -55.072 1.00 25.00 C ATOM 378 C VAL A 437 -15.383 -47.803 -56.334 1.00 25.00 C ATOM 379 O VAL A 437 -15.341 -46.625 -56.660 1.00 25.00 O ATOM 380 CB VAL A 437 -15.147 -48.309 -53.853 1.00 25.00 C ATOM 381 CG1 VAL A 437 -15.944 -48.483 -52.544 1.00 25.00 C ATOM 382 CG2 VAL A 437 -14.136 -49.430 -53.991 1.00 25.00 C ATOM 0 H VAL A 437 -16.531 -50.267 -54.767 1.00 25.00 H new ATOM 0 HA VAL A 437 -16.866 -47.451 -54.845 1.00 25.00 H new ATOM 0 HB VAL A 437 -14.588 -47.374 -53.830 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -15.253 -48.543 -51.703 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -16.610 -47.631 -52.407 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -16.533 -49.399 -52.596 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -13.483 -49.441 -53.118 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -14.658 -50.384 -54.065 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -13.538 -49.273 -54.889 1.00 25.00 H new ATOM 392 N LEU A 438 -14.815 -48.756 -57.059 1.00 25.00 N ATOM 393 CA LEU A 438 -14.089 -48.439 -58.291 1.00 25.00 C ATOM 394 C LEU A 438 -15.028 -47.903 -59.363 1.00 25.00 C ATOM 395 O LEU A 438 -14.654 -47.029 -60.136 1.00 25.00 O ATOM 396 CB LEU A 438 -13.363 -49.675 -58.831 1.00 25.00 C ATOM 397 CG LEU A 438 -12.113 -50.126 -58.055 1.00 25.00 C ATOM 398 CD1 LEU A 438 -11.620 -51.454 -58.630 1.00 25.00 C ATOM 399 CD2 LEU A 438 -10.990 -49.086 -58.125 1.00 25.00 C ATOM 0 H LEU A 438 -14.839 -49.748 -56.823 1.00 25.00 H new ATOM 0 HA LEU A 438 -13.357 -47.670 -58.044 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -14.070 -50.504 -58.853 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -13.072 -49.477 -59.863 1.00 25.00 H new ATOM 0 HG LEU A 438 -12.388 -50.243 -57.007 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -10.734 -51.780 -58.085 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -12.403 -52.206 -58.532 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -11.371 -51.324 -59.683 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -10.127 -49.444 -57.564 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -10.706 -48.926 -59.165 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -11.337 -48.146 -57.695 1.00 25.00 H new ATOM 720 N ALA A 462 -18.147 -32.010 -44.302 1.00 25.00 N ATOM 721 CA ALA A 462 -17.013 -32.311 -43.446 1.00 25.00 C ATOM 722 C ALA A 462 -17.519 -32.935 -42.146 1.00 25.00 C ATOM 723 O ALA A 462 -16.965 -33.919 -41.670 1.00 25.00 O ATOM 724 CB ALA A 462 -16.211 -31.039 -43.157 1.00 25.00 C ATOM 0 HA ALA A 462 -16.353 -33.017 -43.951 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.364 -31.281 -42.514 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.847 -30.618 -44.094 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.850 -30.312 -42.657 1.00 25.00 H new ATOM 730 N LEU A 463 -18.577 -32.375 -41.571 1.00 25.00 N ATOM 731 CA LEU A 463 -19.098 -32.896 -40.318 1.00 25.00 C ATOM 732 C LEU A 463 -19.708 -34.270 -40.528 1.00 25.00 C ATOM 733 O LEU A 463 -19.577 -35.126 -39.675 1.00 25.00 O ATOM 734 CB LEU A 463 -20.086 -31.907 -39.676 1.00 25.00 C ATOM 735 CG LEU A 463 -21.609 -32.083 -39.838 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.211 -33.109 -38.867 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.256 -30.755 -39.587 1.00 25.00 C ATOM 0 H LEU A 463 -19.083 -31.573 -41.947 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.272 -33.012 -39.616 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.878 -31.899 -38.606 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.838 -30.916 -40.057 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.792 -32.453 -40.847 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.285 -33.183 -39.036 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.750 -34.082 -39.034 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.026 -32.791 -37.841 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.336 -30.850 -39.695 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.021 -30.421 -38.577 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.882 -30.026 -40.306 1.00 25.00 H new ATOM 749 N GLN A 464 -20.362 -34.510 -41.656 1.00 25.00 N ATOM 750 CA GLN A 464 -20.952 -35.828 -41.876 1.00 25.00 C ATOM 751 C GLN A 464 -19.860 -36.895 -41.994 1.00 25.00 C ATOM 752 O GLN A 464 -20.065 -38.047 -41.616 1.00 25.00 O ATOM 753 CB GLN A 464 -21.928 -35.825 -43.059 1.00 25.00 C ATOM 754 CG GLN A 464 -21.337 -36.027 -44.447 1.00 25.00 C ATOM 755 CD GLN A 464 -22.414 -36.186 -45.494 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.517 -35.410 -46.437 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.230 -37.188 -45.327 1.00 25.00 N ATOM 0 H GLN A 464 -20.496 -33.837 -42.411 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.553 -36.087 -41.004 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -22.667 -36.608 -42.889 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.462 -34.875 -43.054 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -20.705 -35.176 -44.701 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -20.697 -36.910 -44.446 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.113 -37.813 -44.530 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.986 -37.347 -45.994 1.00 25.00 H new ATOM 766 N GLY A 465 -18.688 -36.500 -42.475 1.00 25.00 N ATOM 767 CA GLY A 465 -17.557 -37.403 -42.514 1.00 25.00 C ATOM 768 C GLY A 465 -17.058 -37.584 -41.097 1.00 25.00 C ATOM 769 O GLY A 465 -16.787 -38.697 -40.676 1.00 25.00 O ATOM 0 H GLY A 465 -18.501 -35.566 -42.840 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.849 -38.362 -42.941 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.768 -36.999 -43.148 1.00 25.00 H new ATOM 773 N ALA A 466 -16.962 -36.485 -40.354 1.00 25.00 N ATOM 774 CA ALA A 466 -16.501 -36.506 -38.963 1.00 25.00 C ATOM 775 C ALA A 466 -17.302 -37.499 -38.114 1.00 25.00 C ATOM 776 O ALA A 466 -16.750 -38.194 -37.279 1.00 25.00 O ATOM 777 CB ALA A 466 -16.586 -35.103 -38.352 1.00 25.00 C ATOM 0 H ALA A 466 -17.201 -35.554 -40.696 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.462 -36.834 -38.967 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.240 -35.135 -37.319 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.959 -34.419 -38.924 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.619 -34.757 -38.379 1.00 25.00 H new ATOM 783 N GLN A 467 -18.601 -37.571 -38.340 1.00 25.00 N ATOM 784 CA GLN A 467 -19.451 -38.509 -37.608 1.00 25.00 C ATOM 785 C GLN A 467 -19.127 -39.966 -37.950 1.00 25.00 C ATOM 786 O GLN A 467 -19.091 -40.825 -37.073 1.00 25.00 O ATOM 787 CB GLN A 467 -20.903 -38.260 -37.977 1.00 25.00 C ATOM 788 CG GLN A 467 -21.441 -36.875 -37.591 1.00 25.00 C ATOM 789 CD GLN A 467 -21.567 -36.645 -36.099 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.529 -37.566 -35.296 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.720 -35.399 -35.727 1.00 25.00 N ATOM 0 H GLN A 467 -19.095 -36.995 -39.022 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.272 -38.348 -36.545 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.016 -38.390 -39.053 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.520 -39.020 -37.497 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.783 -36.114 -38.009 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.420 -36.738 -38.051 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.747 -34.657 -36.427 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.812 -35.170 -34.737 1.00 25.00 H new ATOM 800 N ALA A 468 -18.901 -40.243 -39.228 1.00 25.00 N ATOM 801 CA ALA A 468 -18.622 -41.606 -39.671 1.00 25.00 C ATOM 802 C ALA A 468 -17.255 -42.063 -39.158 1.00 25.00 C ATOM 803 O ALA A 468 -17.111 -43.162 -38.624 1.00 25.00 O ATOM 804 CB ALA A 468 -18.673 -41.679 -41.205 1.00 25.00 C ATOM 0 H ALA A 468 -18.905 -39.547 -39.974 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.382 -42.273 -39.263 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.464 -42.699 -41.528 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.664 -41.385 -41.550 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.927 -41.005 -41.626 1.00 25.00 H new ATOM 810 N VAL A 469 -16.253 -41.209 -39.306 1.00 25.00 N ATOM 811 CA VAL A 469 -14.901 -41.532 -38.850 1.00 25.00 C ATOM 812 C VAL A 469 -14.889 -41.651 -37.335 1.00 25.00 C ATOM 813 O VAL A 469 -14.108 -42.408 -36.791 1.00 25.00 O ATOM 814 CB VAL A 469 -13.825 -40.515 -39.346 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.879 -40.391 -40.873 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.018 -39.151 -38.723 1.00 25.00 C ATOM 0 H VAL A 469 -16.346 -40.289 -39.736 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.627 -42.489 -39.293 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.850 -40.895 -39.041 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.124 -39.679 -41.207 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.685 -41.364 -41.324 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.866 -40.041 -41.175 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.251 -38.471 -39.092 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.003 -38.766 -38.988 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.940 -39.232 -37.639 1.00 25.00 H new ATOM 826 N ALA A 470 -15.747 -40.906 -36.646 1.00 25.00 N ATOM 827 CA ALA A 470 -15.806 -40.959 -35.185 1.00 25.00 C ATOM 828 C ALA A 470 -16.052 -42.374 -34.671 1.00 25.00 C ATOM 829 O ALA A 470 -15.634 -42.693 -33.564 1.00 25.00 O ATOM 830 CB ALA A 470 -16.881 -40.027 -34.647 1.00 25.00 C ATOM 0 H ALA A 470 -16.411 -40.259 -37.072 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.832 -40.631 -34.823 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -16.903 -40.086 -33.559 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.660 -39.004 -34.950 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.851 -40.322 -35.046 1.00 25.00 H new ATOM 836 N ALA A 471 -16.708 -43.218 -35.458 1.00 25.00 N ATOM 837 CA ALA A 471 -16.923 -44.612 -35.064 1.00 25.00 C ATOM 838 C ALA A 471 -15.571 -45.337 -34.962 1.00 25.00 C ATOM 839 O ALA A 471 -15.348 -46.133 -34.061 1.00 25.00 O ATOM 840 CB ALA A 471 -17.838 -45.313 -36.072 1.00 25.00 C ATOM 0 H ALA A 471 -17.099 -42.968 -36.366 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.409 -44.638 -34.088 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.989 -46.348 -35.767 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.800 -44.801 -36.108 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.377 -45.289 -37.060 1.00 25.00 H new ATOM 846 N ALA A 472 -14.669 -45.038 -35.883 1.00 25.00 N ATOM 847 CA ALA A 472 -13.319 -45.588 -35.846 1.00 25.00 C ATOM 848 C ALA A 472 -12.501 -44.936 -34.721 1.00 25.00 C ATOM 849 O ALA A 472 -11.627 -45.559 -34.139 1.00 25.00 O ATOM 850 CB ALA A 472 -12.633 -45.375 -37.207 1.00 25.00 C ATOM 0 H ALA A 472 -14.847 -44.414 -36.670 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.379 -46.657 -35.644 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.625 -45.787 -37.175 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.206 -45.878 -37.986 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.582 -44.308 -37.426 1.00 25.00 H new ATOM 856 N GLN A 473 -12.781 -43.674 -34.427 1.00 25.00 N ATOM 857 CA GLN A 473 -12.012 -42.932 -33.428 1.00 25.00 C ATOM 858 C GLN A 473 -12.315 -43.405 -32.019 1.00 25.00 C ATOM 859 O GLN A 473 -11.421 -43.633 -31.216 1.00 25.00 O ATOM 860 CB GLN A 473 -12.290 -41.426 -33.509 1.00 25.00 C ATOM 861 CG GLN A 473 -11.946 -40.777 -34.850 1.00 25.00 C ATOM 862 CD GLN A 473 -10.460 -40.644 -35.103 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.645 -40.772 -34.207 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.107 -40.383 -36.334 1.00 25.00 N ATOM 0 H GLN A 473 -13.533 -43.140 -34.863 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.962 -43.121 -33.652 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.346 -41.255 -33.300 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.724 -40.925 -32.724 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.390 -41.366 -35.652 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.402 -39.788 -34.891 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.818 -40.283 -37.058 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.120 -40.280 -36.571 1.00 25.00 H new ATOM 873 N ARG A 474 -13.593 -43.570 -31.721 1.00 25.00 N ATOM 874 CA ARG A 474 -14.005 -44.065 -30.404 1.00 25.00 C ATOM 875 C ARG A 474 -13.471 -45.486 -30.228 1.00 25.00 C ATOM 876 O ARG A 474 -13.200 -45.922 -29.116 1.00 25.00 O ATOM 877 CB ARG A 474 -15.535 -44.006 -30.256 1.00 25.00 C ATOM 878 CG ARG A 474 -16.283 -44.886 -31.237 1.00 25.00 C ATOM 879 CD ARG A 474 -17.758 -44.561 -31.336 1.00 25.00 C ATOM 880 NE ARG A 474 -18.020 -43.231 -31.912 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.227 -42.712 -32.117 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.328 -43.356 -31.811 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.332 -41.528 -32.651 1.00 25.00 N ATOM 0 H ARG A 474 -14.362 -43.373 -32.362 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.589 -43.433 -29.620 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.803 -44.301 -29.241 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.863 -42.975 -30.386 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.830 -44.784 -32.223 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.168 -45.928 -30.939 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.250 -45.318 -31.946 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.203 -44.614 -30.342 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.213 -42.664 -32.174 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.276 -44.288 -31.401 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.236 -42.924 -31.983 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.493 -41.008 -32.908 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.253 -41.121 -32.812 1.00 25.00 H new ATOM 897 N LEU A 475 -13.301 -46.186 -31.340 1.00 25.00 N ATOM 898 CA LEU A 475 -12.749 -47.530 -31.332 1.00 25.00 C ATOM 899 C LEU A 475 -11.249 -47.493 -31.033 1.00 25.00 C ATOM 900 O LEU A 475 -10.795 -48.184 -30.133 1.00 25.00 O ATOM 901 CB LEU A 475 -13.029 -48.208 -32.686 1.00 25.00 C ATOM 902 CG LEU A 475 -11.965 -49.158 -33.263 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.816 -50.432 -32.406 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.329 -49.542 -34.682 1.00 25.00 C ATOM 0 H LEU A 475 -13.541 -45.839 -32.269 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.228 -48.112 -30.544 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.958 -48.770 -32.590 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.206 -47.422 -33.420 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.011 -48.630 -33.256 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.056 -51.079 -32.844 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.519 -50.157 -31.394 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.768 -50.962 -32.373 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.571 -50.215 -35.083 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.297 -50.043 -34.686 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.382 -48.645 -35.299 1.00 25.00 H new ATOM 916 N VAL A 476 -10.472 -46.706 -31.772 1.00 25.00 N ATOM 917 CA VAL A 476 -9.018 -46.695 -31.572 1.00 25.00 C ATOM 918 C VAL A 476 -8.701 -46.223 -30.162 1.00 25.00 C ATOM 919 O VAL A 476 -7.775 -46.713 -29.513 1.00 25.00 O ATOM 920 CB VAL A 476 -8.270 -45.863 -32.663 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.677 -44.414 -32.667 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.749 -45.998 -32.504 1.00 25.00 C ATOM 0 H VAL A 476 -10.811 -46.078 -32.501 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.648 -47.714 -31.685 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.562 -46.277 -33.628 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.127 -43.884 -33.444 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.746 -44.337 -32.863 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.453 -43.971 -31.697 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.249 -45.411 -33.274 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.452 -45.634 -31.520 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.464 -47.045 -32.605 1.00 25.00 H new ATOM 932 N HIS A 477 -9.499 -45.289 -29.675 1.00 25.00 N ATOM 933 CA HIS A 477 -9.344 -44.774 -28.343 1.00 25.00 C ATOM 934 C HIS A 477 -9.558 -45.874 -27.314 1.00 25.00 C ATOM 935 O HIS A 477 -8.872 -45.911 -26.307 1.00 25.00 O ATOM 936 CB HIS A 477 -10.345 -43.653 -28.126 1.00 25.00 C ATOM 937 CG HIS A 477 -10.128 -42.909 -26.849 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.126 -42.482 -26.009 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.973 -42.527 -26.248 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.559 -41.874 -24.970 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.245 -41.868 -25.067 1.00 25.00 N ATOM 0 H HIS A 477 -10.269 -44.872 -30.198 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.331 -44.391 -28.222 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.285 -42.954 -28.961 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.353 -44.069 -28.130 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.983 -42.712 -26.638 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -11.108 -41.439 -24.148 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.575 -41.464 -24.412 1.00 25.00 H new ATOM 949 N ALA A 478 -10.494 -46.779 -27.569 1.00 25.00 N ATOM 950 CA ALA A 478 -10.765 -47.859 -26.631 1.00 25.00 C ATOM 951 C ALA A 478 -9.504 -48.696 -26.404 1.00 25.00 C ATOM 952 O ALA A 478 -9.179 -49.045 -25.273 1.00 25.00 O ATOM 953 CB ALA A 478 -11.909 -48.735 -27.148 1.00 25.00 C ATOM 0 H ALA A 478 -11.073 -46.787 -28.409 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.066 -47.427 -25.677 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.102 -49.539 -26.437 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.808 -48.129 -27.263 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.633 -49.162 -28.112 1.00 25.00 H new ATOM 959 N ILE A 479 -8.782 -49.012 -27.471 1.00 25.00 N ATOM 960 CA ILE A 479 -7.567 -49.811 -27.332 1.00 25.00 C ATOM 961 C ILE A 479 -6.467 -48.973 -26.699 1.00 25.00 C ATOM 962 O ILE A 479 -5.666 -49.482 -25.938 1.00 25.00 O ATOM 963 CB ILE A 479 -7.052 -50.352 -28.678 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.178 -51.071 -29.425 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.879 -51.340 -28.470 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.469 -50.415 -30.707 1.00 25.00 C ATOM 0 H ILE A 479 -9.009 -48.735 -28.426 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.825 -50.662 -26.701 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.701 -49.502 -29.263 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.896 -52.109 -29.601 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.077 -51.084 -28.808 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.536 -51.706 -29.438 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.060 -50.830 -27.963 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.215 -52.180 -27.863 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.273 -50.948 -31.214 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.774 -49.384 -30.527 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.576 -50.425 -31.332 1.00 25.00 H new ATOM 978 N ALA A 480 -6.437 -47.682 -26.999 1.00 25.00 N ATOM 979 CA ALA A 480 -5.419 -46.796 -26.443 1.00 25.00 C ATOM 980 C ALA A 480 -5.519 -46.780 -24.909 1.00 25.00 C ATOM 981 O ALA A 480 -4.536 -46.551 -24.205 1.00 25.00 O ATOM 982 CB ALA A 480 -5.585 -45.379 -27.022 1.00 25.00 C ATOM 0 H ALA A 480 -7.103 -47.224 -27.622 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.430 -47.164 -26.717 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.822 -44.723 -26.603 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.478 -45.414 -28.106 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.573 -44.995 -26.768 1.00 25.00 H new ATOM 988 N LEU A 481 -6.710 -47.035 -24.392 1.00 25.00 N ATOM 989 CA LEU A 481 -6.897 -47.100 -22.938 1.00 25.00 C ATOM 990 C LEU A 481 -6.354 -48.407 -22.437 1.00 25.00 C ATOM 991 O LEU A 481 -5.700 -48.478 -21.417 1.00 25.00 O ATOM 992 CB LEU A 481 -8.363 -46.979 -22.560 1.00 25.00 C ATOM 993 CG LEU A 481 -8.906 -45.645 -23.043 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.408 -45.748 -23.212 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.547 -44.495 -22.112 1.00 25.00 C ATOM 0 H LEU A 481 -7.554 -47.199 -24.941 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.365 -46.265 -22.482 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.932 -47.796 -23.003 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.478 -47.060 -21.479 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.439 -45.421 -24.002 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.802 -44.792 -23.559 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.640 -46.522 -23.943 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.865 -46.003 -22.256 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.960 -43.566 -22.505 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.961 -44.686 -21.122 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.463 -44.409 -22.042 1.00 25.00 H new ATOM 1007 N MET A 482 -6.622 -49.461 -23.179 1.00 25.00 N ATOM 1008 CA MET A 482 -6.149 -50.782 -22.799 1.00 25.00 C ATOM 1009 C MET A 482 -4.653 -50.863 -22.802 1.00 25.00 C ATOM 1010 O MET A 482 -4.072 -51.668 -22.078 1.00 25.00 O ATOM 1011 CB MET A 482 -6.694 -51.826 -23.757 1.00 25.00 C ATOM 1012 CG MET A 482 -8.154 -51.850 -23.703 1.00 25.00 C ATOM 1013 SD MET A 482 -8.858 -53.447 -24.157 1.00 25.00 S ATOM 1014 CE MET A 482 -8.791 -53.344 -25.955 1.00 25.00 C ATOM 0 H MET A 482 -7.161 -49.433 -24.044 1.00 25.00 H new ATOM 0 HA MET A 482 -6.505 -50.971 -21.786 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.364 -51.605 -24.772 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.297 -52.808 -23.500 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.478 -51.591 -22.695 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.548 -51.084 -24.371 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.193 -54.260 -26.387 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.383 -52.493 -26.293 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.757 -53.216 -26.274 1.00 25.00 H new ATOM 1024 N THR A 483 -4.018 -50.045 -23.620 1.00 25.00 N ATOM 1025 CA THR A 483 -2.570 -50.124 -23.731 1.00 25.00 C ATOM 1026 C THR A 483 -1.923 -49.352 -22.599 1.00 25.00 C ATOM 1027 O THR A 483 -0.887 -49.762 -22.094 1.00 25.00 O ATOM 1028 CB THR A 483 -2.081 -49.637 -25.098 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.601 -48.335 -25.358 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.571 -50.581 -26.196 1.00 25.00 C ATOM 0 H THR A 483 -4.464 -49.337 -24.203 1.00 25.00 H new ATOM 0 HA THR A 483 -2.274 -51.170 -23.649 1.00 25.00 H new ATOM 0 HB THR A 483 -0.991 -49.613 -25.089 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.285 -48.025 -26.233 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.218 -50.227 -27.165 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.184 -51.583 -26.013 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.661 -50.607 -26.194 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.536 -48.256 -22.172 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.993 -47.504 -21.040 1.00 25.00 C ATOM 1040 C GLN A 484 -2.359 -48.189 -19.717 1.00 25.00 C ATOM 1041 O GLN A 484 -1.635 -48.057 -18.740 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.437 -46.031 -21.070 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.912 -45.790 -20.833 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.314 -44.364 -21.120 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.401 -43.540 -20.230 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.573 -44.073 -22.368 1.00 25.00 N ATOM 0 H GLN A 484 -3.389 -47.872 -22.578 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.906 -47.500 -21.124 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.872 -45.484 -20.316 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.169 -45.608 -22.038 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.493 -46.463 -21.463 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.156 -46.032 -19.799 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.489 -44.791 -23.087 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.859 -43.128 -22.622 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.460 -48.940 -19.680 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.821 -49.681 -18.487 1.00 25.00 C ATOM 1057 C PHE A 485 -3.086 -51.009 -18.405 1.00 25.00 C ATOM 1058 O PHE A 485 -3.114 -51.683 -17.378 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.322 -49.954 -18.469 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.101 -48.943 -17.687 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.570 -47.761 -18.295 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.363 -49.164 -16.326 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.298 -46.803 -17.546 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.090 -48.214 -15.564 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.558 -47.032 -16.178 1.00 25.00 C ATOM 0 H PHE A 485 -4.109 -49.046 -20.460 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.537 -49.069 -17.631 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.692 -49.974 -19.494 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.499 -50.943 -18.047 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.373 -47.584 -19.342 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.007 -50.068 -15.854 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.653 -45.900 -18.021 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.285 -48.394 -14.517 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.113 -46.306 -15.603 1.00 25.00 H new