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 143:sc= 0 (180deg=-1.06) USER MOD Single : A 433 MET CE :methyl -156:sc= -0.047 (180deg=-0.932) USER MOD Single : A 434 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 464 GLN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 477 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= -0.0252 (180deg=-0.0252) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.00178 USER MOD Single : A 484 GLN : amide:sc= 0.304 X(o=0.3,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -38.861 -44.376 -68.859 1.00 25.00 N ATOM 114 CA GLU A 419 -39.900 -43.737 -68.052 1.00 25.00 C ATOM 115 C GLU A 419 -39.262 -42.671 -67.171 1.00 25.00 C ATOM 116 O GLU A 419 -39.811 -41.599 -66.977 1.00 25.00 O ATOM 117 CB GLU A 419 -40.593 -44.780 -67.165 1.00 25.00 C ATOM 118 CG GLU A 419 -41.389 -45.830 -67.937 1.00 25.00 C ATOM 119 CD GLU A 419 -41.644 -47.080 -67.105 1.00 25.00 C ATOM 120 OE1 GLU A 419 -40.703 -47.905 -66.984 1.00 25.00 O ATOM 121 OE2 GLU A 419 -42.758 -47.255 -66.583 1.00 25.00 O ATOM 0 HA GLU A 419 -40.639 -43.283 -68.712 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -39.839 -45.284 -66.560 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -41.263 -44.266 -66.476 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -42.342 -45.404 -68.251 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -40.847 -46.102 -68.843 1.00 25.00 H new ATOM 128 N VAL A 420 -38.082 -42.973 -66.649 1.00 25.00 N ATOM 129 CA VAL A 420 -37.360 -42.037 -65.785 1.00 25.00 C ATOM 130 C VAL A 420 -36.906 -40.814 -66.580 1.00 25.00 C ATOM 131 O VAL A 420 -36.884 -39.702 -66.060 1.00 25.00 O ATOM 132 CB VAL A 420 -36.129 -42.728 -65.123 1.00 25.00 C ATOM 133 CG1 VAL A 420 -35.366 -41.760 -64.199 1.00 25.00 C ATOM 134 CG2 VAL A 420 -36.585 -43.940 -64.307 1.00 25.00 C ATOM 0 H VAL A 420 -37.600 -43.858 -66.806 1.00 25.00 H new ATOM 0 HA VAL A 420 -38.041 -41.714 -64.998 1.00 25.00 H new ATOM 0 HB VAL A 420 -35.460 -43.044 -65.923 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -34.515 -42.276 -63.755 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -35.012 -40.907 -64.778 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -36.031 -41.411 -63.409 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -35.719 -44.417 -63.848 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -37.275 -43.616 -63.528 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -37.086 -44.652 -64.962 1.00 25.00 H new ATOM 144 N SER A 421 -36.556 -41.009 -67.840 1.00 25.00 N ATOM 145 CA SER A 421 -36.092 -39.903 -68.670 1.00 25.00 C ATOM 146 C SER A 421 -37.213 -38.901 -68.920 1.00 25.00 C ATOM 147 O SER A 421 -37.006 -37.693 -68.827 1.00 25.00 O ATOM 148 CB SER A 421 -35.573 -40.425 -70.007 1.00 25.00 C ATOM 149 OG SER A 421 -34.491 -41.325 -69.810 1.00 25.00 O ATOM 0 H SER A 421 -36.583 -41.914 -68.310 1.00 25.00 H new ATOM 0 HA SER A 421 -35.284 -39.402 -68.137 1.00 25.00 H new ATOM 0 HB2 SER A 421 -36.378 -40.928 -70.544 1.00 25.00 H new ATOM 0 HB3 SER A 421 -35.249 -39.590 -70.628 1.00 25.00 H new ATOM 0 HG SER A 421 -34.173 -41.650 -70.678 1.00 25.00 H new ATOM 155 N ASP A 422 -38.400 -39.403 -69.224 1.00 25.00 N ATOM 156 CA ASP A 422 -39.548 -38.531 -69.479 1.00 25.00 C ATOM 157 C ASP A 422 -40.022 -37.904 -68.177 1.00 25.00 C ATOM 158 O ASP A 422 -40.465 -36.756 -68.150 1.00 25.00 O ATOM 159 CB ASP A 422 -40.688 -39.325 -70.125 1.00 25.00 C ATOM 160 CG ASP A 422 -40.354 -39.783 -71.539 1.00 25.00 C ATOM 161 OD1 ASP A 422 -40.688 -40.936 -71.888 1.00 25.00 O ATOM 162 OD2 ASP A 422 -39.765 -38.988 -72.306 1.00 25.00 O ATOM 0 H ASP A 422 -38.598 -40.401 -69.301 1.00 25.00 H new ATOM 0 HA ASP A 422 -39.242 -37.741 -70.165 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -40.914 -40.195 -69.509 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -41.587 -38.709 -70.149 1.00 25.00 H new ATOM 167 N MET A 423 -39.910 -38.654 -67.090 1.00 25.00 N ATOM 168 CA MET A 423 -40.309 -38.165 -65.771 1.00 25.00 C ATOM 169 C MET A 423 -39.416 -36.996 -65.351 1.00 25.00 C ATOM 170 O MET A 423 -39.885 -36.022 -64.779 1.00 25.00 O ATOM 171 CB MET A 423 -40.234 -39.307 -64.751 1.00 25.00 C ATOM 172 CG MET A 423 -40.682 -38.942 -63.343 1.00 25.00 C ATOM 173 SD MET A 423 -40.953 -40.425 -62.314 1.00 25.00 S ATOM 174 CE MET A 423 -39.309 -41.202 -62.275 1.00 25.00 C ATOM 0 H MET A 423 -39.545 -39.607 -67.092 1.00 25.00 H new ATOM 0 HA MET A 423 -41.338 -37.807 -65.814 1.00 25.00 H new ATOM 0 HB2 MET A 423 -40.847 -40.134 -65.108 1.00 25.00 H new ATOM 0 HB3 MET A 423 -39.206 -39.668 -64.707 1.00 25.00 H new ATOM 0 HG2 MET A 423 -39.930 -38.307 -62.875 1.00 25.00 H new ATOM 0 HG3 MET A 423 -41.603 -38.361 -63.393 1.00 25.00 H new ATOM 0 HE1 MET A 423 -39.135 -41.635 -61.290 1.00 25.00 H new ATOM 0 HE2 MET A 423 -39.259 -41.986 -63.030 1.00 25.00 H new ATOM 0 HE3 MET A 423 -38.547 -40.451 -62.481 1.00 25.00 H new ATOM 184 N ALA A 424 -38.130 -37.084 -65.653 1.00 25.00 N ATOM 185 CA ALA A 424 -37.201 -36.011 -65.313 1.00 25.00 C ATOM 186 C ALA A 424 -37.476 -34.774 -66.179 1.00 25.00 C ATOM 187 O ALA A 424 -37.325 -33.636 -65.730 1.00 25.00 O ATOM 188 CB ALA A 424 -35.758 -36.491 -65.512 1.00 25.00 C ATOM 0 H ALA A 424 -37.706 -37.880 -66.129 1.00 25.00 H new ATOM 0 HA ALA A 424 -37.342 -35.738 -64.267 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -35.068 -35.686 -65.257 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -35.568 -37.350 -64.868 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -35.611 -36.779 -66.553 1.00 25.00 H new ATOM 194 N ALA A 425 -37.866 -35.004 -67.424 1.00 25.00 N ATOM 195 CA ALA A 425 -38.135 -33.912 -68.352 1.00 25.00 C ATOM 196 C ALA A 425 -39.355 -33.098 -67.913 1.00 25.00 C ATOM 197 O ALA A 425 -39.322 -31.864 -67.913 1.00 25.00 O ATOM 198 CB ALA A 425 -38.352 -34.473 -69.763 1.00 25.00 C ATOM 0 H ALA A 425 -38.004 -35.936 -67.816 1.00 25.00 H new ATOM 0 HA ALA A 425 -37.273 -33.245 -68.356 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -38.553 -33.654 -70.453 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -37.458 -35.007 -70.084 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -39.200 -35.158 -69.756 1.00 25.00 H new ATOM 204 N VAL A 426 -40.431 -33.782 -67.554 1.00 25.00 N ATOM 205 CA VAL A 426 -41.655 -33.099 -67.148 1.00 25.00 C ATOM 206 C VAL A 426 -41.458 -32.405 -65.805 1.00 25.00 C ATOM 207 O VAL A 426 -41.961 -31.302 -65.597 1.00 25.00 O ATOM 208 CB VAL A 426 -42.870 -34.075 -67.150 1.00 25.00 C ATOM 209 CG1 VAL A 426 -42.765 -35.158 -66.088 1.00 25.00 C ATOM 210 CG2 VAL A 426 -44.178 -33.310 -67.010 1.00 25.00 C ATOM 0 H VAL A 426 -40.484 -34.800 -67.535 1.00 25.00 H new ATOM 0 HA VAL A 426 -41.884 -32.323 -67.878 1.00 25.00 H new ATOM 0 HB VAL A 426 -42.857 -34.583 -68.115 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -43.641 -35.805 -66.140 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -41.866 -35.750 -66.259 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -42.713 -34.697 -65.102 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -45.012 -34.012 -67.014 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -44.176 -32.754 -66.072 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -44.284 -32.615 -67.843 1.00 25.00 H new ATOM 220 N GLU A 427 -40.702 -33.032 -64.913 1.00 25.00 N ATOM 221 CA GLU A 427 -40.399 -32.425 -63.610 1.00 25.00 C ATOM 222 C GLU A 427 -39.712 -31.084 -63.814 1.00 25.00 C ATOM 223 O GLU A 427 -40.078 -30.090 -63.201 1.00 25.00 O ATOM 224 CB GLU A 427 -39.467 -33.305 -62.767 1.00 25.00 C ATOM 225 CG GLU A 427 -40.171 -34.093 -61.662 1.00 25.00 C ATOM 226 CD GLU A 427 -39.185 -34.711 -60.659 1.00 25.00 C ATOM 227 OE1 GLU A 427 -39.641 -35.435 -59.743 1.00 25.00 O ATOM 228 OE2 GLU A 427 -37.959 -34.469 -60.775 1.00 25.00 O ATOM 0 H GLU A 427 -40.288 -33.952 -65.059 1.00 25.00 H new ATOM 0 HA GLU A 427 -41.347 -32.308 -63.086 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -38.954 -34.006 -63.426 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -38.702 -32.674 -62.315 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -40.858 -33.434 -61.132 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -40.771 -34.884 -62.111 1.00 25.00 H new ATOM 235 N ALA A 428 -38.714 -31.048 -64.687 1.00 25.00 N ATOM 236 CA ALA A 428 -37.978 -29.814 -64.934 1.00 25.00 C ATOM 237 C ALA A 428 -38.908 -28.721 -65.474 1.00 25.00 C ATOM 238 O ALA A 428 -38.795 -27.549 -65.094 1.00 25.00 O ATOM 239 CB ALA A 428 -36.833 -30.081 -65.919 1.00 25.00 C ATOM 0 H ALA A 428 -38.397 -31.850 -65.231 1.00 25.00 H new ATOM 0 HA ALA A 428 -37.561 -29.462 -63.991 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -36.286 -29.156 -66.100 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -36.157 -30.826 -65.498 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -37.241 -30.452 -66.859 1.00 25.00 H new ATOM 245 N ALA A 429 -39.824 -29.112 -66.348 1.00 25.00 N ATOM 246 CA ALA A 429 -40.753 -28.169 -66.956 1.00 25.00 C ATOM 247 C ALA A 429 -41.728 -27.586 -65.928 1.00 25.00 C ATOM 248 O ALA A 429 -41.949 -26.376 -65.889 1.00 25.00 O ATOM 249 CB ALA A 429 -41.523 -28.858 -68.089 1.00 25.00 C ATOM 0 H ALA A 429 -39.944 -30.078 -66.653 1.00 25.00 H new ATOM 0 HA ALA A 429 -40.173 -27.340 -67.361 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -42.217 -28.149 -68.541 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -40.821 -29.210 -68.844 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -42.080 -29.705 -67.688 1.00 25.00 H new ATOM 255 N GLU A 430 -42.330 -28.426 -65.099 1.00 25.00 N ATOM 256 CA GLU A 430 -43.295 -27.918 -64.126 1.00 25.00 C ATOM 257 C GLU A 430 -42.583 -27.127 -63.034 1.00 25.00 C ATOM 258 O GLU A 430 -43.138 -26.162 -62.498 1.00 25.00 O ATOM 259 CB GLU A 430 -44.174 -29.037 -63.544 1.00 25.00 C ATOM 260 CG GLU A 430 -43.470 -30.035 -62.644 1.00 25.00 C ATOM 261 CD GLU A 430 -44.428 -31.096 -62.128 1.00 25.00 C ATOM 262 OE1 GLU A 430 -44.769 -31.053 -60.925 1.00 25.00 O ATOM 263 OE2 GLU A 430 -44.849 -31.964 -62.923 1.00 25.00 O ATOM 0 H GLU A 430 -42.177 -29.434 -65.076 1.00 25.00 H new ATOM 0 HA GLU A 430 -43.971 -27.241 -64.648 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -44.986 -28.578 -62.979 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -44.629 -29.582 -64.371 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -42.659 -30.513 -63.194 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -43.019 -29.511 -61.802 1.00 25.00 H new ATOM 270 N LEU A 431 -41.350 -27.502 -62.718 1.00 25.00 N ATOM 271 CA LEU A 431 -40.581 -26.785 -61.710 1.00 25.00 C ATOM 272 C LEU A 431 -40.359 -25.346 -62.138 1.00 25.00 C ATOM 273 O LEU A 431 -40.510 -24.441 -61.323 1.00 25.00 O ATOM 274 CB LEU A 431 -39.229 -27.463 -61.462 1.00 25.00 C ATOM 275 CG LEU A 431 -39.240 -28.634 -60.464 1.00 25.00 C ATOM 276 CD1 LEU A 431 -37.915 -29.395 -60.550 1.00 25.00 C ATOM 277 CD2 LEU A 431 -39.458 -28.142 -59.024 1.00 25.00 C ATOM 0 H LEU A 431 -40.864 -28.293 -63.142 1.00 25.00 H new ATOM 0 HA LEU A 431 -41.153 -26.800 -60.782 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -38.846 -27.827 -62.415 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -38.527 -26.711 -61.103 1.00 25.00 H new ATOM 0 HG LEU A 431 -40.067 -29.294 -60.726 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -37.925 -30.224 -59.842 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -37.783 -29.782 -61.560 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -37.092 -28.722 -60.309 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -39.460 -28.994 -58.345 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -38.654 -27.460 -58.747 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -40.414 -27.623 -58.958 1.00 25.00 H new ATOM 289 N GLU A 432 -39.993 -25.104 -63.390 1.00 25.00 N ATOM 290 CA GLU A 432 -39.813 -23.722 -63.835 1.00 25.00 C ATOM 291 C GLU A 432 -41.156 -23.009 -64.017 1.00 25.00 C ATOM 292 O GLU A 432 -41.279 -21.829 -63.685 1.00 25.00 O ATOM 293 CB GLU A 432 -38.931 -23.608 -65.089 1.00 25.00 C ATOM 294 CG GLU A 432 -39.523 -24.127 -66.396 1.00 25.00 C ATOM 295 CD GLU A 432 -38.625 -23.828 -67.591 1.00 25.00 C ATOM 296 OE1 GLU A 432 -39.042 -24.101 -68.735 1.00 25.00 O ATOM 297 OE2 GLU A 432 -37.503 -23.309 -67.384 1.00 25.00 O ATOM 0 H GLU A 432 -39.819 -25.818 -64.098 1.00 25.00 H new ATOM 0 HA GLU A 432 -39.274 -23.210 -63.038 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -38.671 -22.559 -65.227 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -38.001 -24.145 -64.900 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -39.679 -25.203 -66.321 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -40.501 -23.673 -66.556 1.00 25.00 H new ATOM 304 N MET A 433 -42.169 -23.708 -64.517 1.00 25.00 N ATOM 305 CA MET A 433 -43.474 -23.080 -64.732 1.00 25.00 C ATOM 306 C MET A 433 -44.067 -22.577 -63.431 1.00 25.00 C ATOM 307 O MET A 433 -44.624 -21.490 -63.396 1.00 25.00 O ATOM 308 CB MET A 433 -44.458 -24.043 -65.400 1.00 25.00 C ATOM 309 CG MET A 433 -44.298 -24.098 -66.909 1.00 25.00 C ATOM 310 SD MET A 433 -45.602 -25.059 -67.726 1.00 25.00 S ATOM 311 CE MET A 433 -45.155 -26.751 -67.296 1.00 25.00 C ATOM 0 H MET A 433 -42.118 -24.693 -64.778 1.00 25.00 H new ATOM 0 HA MET A 433 -43.307 -22.232 -65.396 1.00 25.00 H new ATOM 0 HB2 MET A 433 -44.317 -25.042 -64.988 1.00 25.00 H new ATOM 0 HB3 MET A 433 -45.477 -23.739 -65.158 1.00 25.00 H new ATOM 0 HG2 MET A 433 -44.300 -23.083 -67.306 1.00 25.00 H new ATOM 0 HG3 MET A 433 -43.328 -24.533 -67.150 1.00 25.00 H new ATOM 0 HE1 MET A 433 -45.571 -27.436 -68.035 1.00 25.00 H new ATOM 0 HE2 MET A 433 -44.069 -26.848 -67.281 1.00 25.00 H new ATOM 0 HE3 MET A 433 -45.554 -26.994 -66.311 1.00 25.00 H new ATOM 321 N THR A 434 -43.934 -23.347 -62.360 1.00 25.00 N ATOM 322 CA THR A 434 -44.461 -22.952 -61.049 1.00 25.00 C ATOM 323 C THR A 434 -43.895 -21.600 -60.600 1.00 25.00 C ATOM 324 O THR A 434 -44.582 -20.798 -59.978 1.00 25.00 O ATOM 325 CB THR A 434 -44.127 -24.030 -59.982 1.00 25.00 C ATOM 326 OG1 THR A 434 -44.648 -25.291 -60.407 1.00 25.00 O ATOM 327 CG2 THR A 434 -44.760 -23.709 -58.635 1.00 25.00 C ATOM 0 H THR A 434 -43.465 -24.253 -62.367 1.00 25.00 H new ATOM 0 HA THR A 434 -45.542 -22.859 -61.148 1.00 25.00 H new ATOM 0 HB THR A 434 -43.043 -24.055 -59.873 1.00 25.00 H new ATOM 0 HG1 THR A 434 -44.032 -25.700 -61.050 1.00 25.00 H new ATOM 0 HG21 THR A 434 -44.502 -24.487 -57.917 1.00 25.00 H new ATOM 0 HG22 THR A 434 -44.388 -22.748 -58.278 1.00 25.00 H new ATOM 0 HG23 THR A 434 -45.843 -23.661 -58.744 1.00 25.00 H new ATOM 335 N ARG A 435 -42.641 -21.336 -60.926 1.00 25.00 N ATOM 336 CA ARG A 435 -41.987 -20.085 -60.518 1.00 25.00 C ATOM 337 C ARG A 435 -42.605 -18.919 -61.253 1.00 25.00 C ATOM 338 O ARG A 435 -42.952 -17.906 -60.658 1.00 25.00 O ATOM 339 CB ARG A 435 -40.491 -20.124 -60.837 1.00 25.00 C ATOM 340 CG ARG A 435 -39.793 -21.310 -60.238 1.00 25.00 C ATOM 341 CD ARG A 435 -38.365 -21.437 -60.738 1.00 25.00 C ATOM 342 NE ARG A 435 -37.925 -22.842 -60.683 1.00 25.00 N ATOM 343 CZ ARG A 435 -37.426 -23.460 -59.622 1.00 25.00 C ATOM 344 NH1 ARG A 435 -37.257 -22.858 -58.468 1.00 25.00 N ATOM 345 NH2 ARG A 435 -37.100 -24.718 -59.720 1.00 25.00 N ATOM 0 H ARG A 435 -42.049 -21.964 -61.470 1.00 25.00 H new ATOM 0 HA ARG A 435 -42.123 -19.969 -59.443 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -40.356 -20.138 -61.919 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -40.023 -19.211 -60.470 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -39.791 -21.220 -59.152 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -40.345 -22.218 -60.481 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -38.297 -21.068 -61.761 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -37.704 -20.818 -60.131 1.00 25.00 H new ATOM 0 HE ARG A 435 -38.012 -23.389 -61.540 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -37.513 -21.876 -58.362 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -36.869 -23.372 -57.677 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -37.230 -25.211 -60.603 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -36.715 -25.209 -58.913 1.00 25.00 H new ATOM 359 N GLN A 436 -42.749 -19.080 -62.555 1.00 25.00 N ATOM 360 CA GLN A 436 -43.314 -18.028 -63.397 1.00 25.00 C ATOM 361 C GLN A 436 -44.751 -17.781 -62.966 1.00 25.00 C ATOM 362 O GLN A 436 -45.209 -16.648 -62.905 1.00 25.00 O ATOM 363 CB GLN A 436 -43.269 -18.439 -64.872 1.00 25.00 C ATOM 364 CG GLN A 436 -41.961 -18.078 -65.588 1.00 25.00 C ATOM 365 CD GLN A 436 -40.776 -18.936 -65.172 1.00 25.00 C ATOM 366 OE1 GLN A 436 -40.156 -18.701 -64.145 1.00 25.00 O ATOM 367 NE2 GLN A 436 -40.455 -19.918 -65.972 1.00 25.00 N ATOM 0 H GLN A 436 -42.484 -19.927 -63.058 1.00 25.00 H new ATOM 0 HA GLN A 436 -42.729 -17.115 -63.283 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -43.423 -19.516 -64.942 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -44.099 -17.964 -65.395 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -42.108 -18.175 -66.664 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -41.727 -17.032 -65.391 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -40.997 -20.083 -66.820 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -39.663 -20.520 -65.748 1.00 25.00 H new ATOM 376 N VAL A 437 -45.442 -18.861 -62.649 1.00 25.00 N ATOM 377 CA VAL A 437 -46.815 -18.816 -62.164 1.00 25.00 C ATOM 378 C VAL A 437 -46.906 -17.993 -60.873 1.00 25.00 C ATOM 379 O VAL A 437 -47.743 -17.099 -60.757 1.00 25.00 O ATOM 380 CB VAL A 437 -47.328 -20.286 -61.982 1.00 25.00 C ATOM 381 CG1 VAL A 437 -48.370 -20.415 -60.898 1.00 25.00 C ATOM 382 CG2 VAL A 437 -47.864 -20.825 -63.321 1.00 25.00 C ATOM 0 H VAL A 437 -45.064 -19.806 -62.721 1.00 25.00 H new ATOM 0 HA VAL A 437 -47.459 -18.316 -62.888 1.00 25.00 H new ATOM 0 HB VAL A 437 -46.477 -20.887 -61.662 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -48.686 -21.455 -60.819 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -47.948 -20.091 -59.947 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -49.230 -19.792 -61.144 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -48.219 -21.847 -63.186 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -48.687 -20.197 -63.662 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -47.066 -20.813 -64.064 1.00 25.00 H new ATOM 392 N LEU A 438 -46.041 -18.273 -59.913 1.00 25.00 N ATOM 393 CA LEU A 438 -46.050 -17.549 -58.639 1.00 25.00 C ATOM 394 C LEU A 438 -45.737 -16.070 -58.840 1.00 25.00 C ATOM 395 O LEU A 438 -46.384 -15.203 -58.245 1.00 25.00 O ATOM 396 CB LEU A 438 -45.026 -18.158 -57.675 1.00 25.00 C ATOM 397 CG LEU A 438 -45.409 -19.514 -57.055 1.00 25.00 C ATOM 398 CD1 LEU A 438 -44.181 -20.135 -56.393 1.00 25.00 C ATOM 399 CD2 LEU A 438 -46.531 -19.365 -56.031 1.00 25.00 C ATOM 0 H LEU A 438 -45.323 -18.994 -59.985 1.00 25.00 H new ATOM 0 HA LEU A 438 -47.050 -17.638 -58.216 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -44.082 -18.277 -58.206 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -44.850 -17.448 -56.867 1.00 25.00 H new ATOM 0 HG LEU A 438 -45.770 -20.164 -57.852 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -44.451 -21.095 -55.954 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -43.401 -20.284 -57.140 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -43.813 -19.469 -55.612 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -46.775 -20.342 -55.614 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -46.207 -18.700 -55.231 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -47.413 -18.947 -56.516 1.00 25.00 H new ATOM 720 N ALA A 462 -19.498 -34.262 -46.112 1.00 25.00 N ATOM 721 CA ALA A 462 -18.375 -34.104 -45.202 1.00 25.00 C ATOM 722 C ALA A 462 -18.765 -34.569 -43.794 1.00 25.00 C ATOM 723 O ALA A 462 -18.009 -35.287 -43.142 1.00 25.00 O ATOM 724 CB ALA A 462 -17.924 -32.645 -45.176 1.00 25.00 C ATOM 0 HA ALA A 462 -17.546 -34.719 -45.553 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -17.083 -32.536 -44.492 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.619 -32.341 -46.177 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.748 -32.015 -44.840 1.00 25.00 H new ATOM 730 N LEU A 463 -19.943 -34.172 -43.328 1.00 25.00 N ATOM 731 CA LEU A 463 -20.390 -34.568 -41.999 1.00 25.00 C ATOM 732 C LEU A 463 -20.634 -36.071 -41.948 1.00 25.00 C ATOM 733 O LEU A 463 -20.322 -36.695 -40.955 1.00 25.00 O ATOM 734 CB LEU A 463 -21.615 -33.748 -41.555 1.00 25.00 C ATOM 735 CG LEU A 463 -23.050 -34.295 -41.695 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.448 -35.220 -40.543 1.00 25.00 C ATOM 737 CD2 LEU A 463 -24.001 -33.123 -41.734 1.00 25.00 C ATOM 0 H LEU A 463 -20.598 -33.584 -43.843 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.600 -34.346 -41.281 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.470 -33.508 -40.502 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.581 -32.807 -42.104 1.00 25.00 H new ATOM 0 HG LEU A 463 -23.095 -34.884 -42.611 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.468 -35.574 -40.696 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.769 -36.072 -40.510 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.391 -34.674 -39.601 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -25.024 -33.487 -41.833 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.908 -32.548 -40.813 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.759 -32.486 -42.585 1.00 25.00 H new ATOM 749 N GLN A 464 -21.157 -36.672 -43.011 1.00 25.00 N ATOM 750 CA GLN A 464 -21.341 -38.124 -43.025 1.00 25.00 C ATOM 751 C GLN A 464 -20.006 -38.839 -42.842 1.00 25.00 C ATOM 752 O GLN A 464 -19.931 -39.882 -42.194 1.00 25.00 O ATOM 753 CB GLN A 464 -22.017 -38.571 -44.317 1.00 25.00 C ATOM 754 CG GLN A 464 -23.463 -38.134 -44.386 1.00 25.00 C ATOM 755 CD GLN A 464 -24.178 -38.692 -45.580 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.838 -38.428 -46.728 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.178 -39.470 -45.316 1.00 25.00 N ATOM 0 H GLN A 464 -21.457 -36.191 -43.859 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.989 -38.392 -42.191 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.475 -38.162 -45.169 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.963 -39.657 -44.396 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.978 -38.450 -43.479 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.509 -37.045 -44.416 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.430 -39.666 -44.347 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.714 -39.888 -46.077 1.00 25.00 H new ATOM 766 N GLY A 465 -18.952 -38.257 -43.388 1.00 25.00 N ATOM 767 CA GLY A 465 -17.622 -38.803 -43.215 1.00 25.00 C ATOM 768 C GLY A 465 -17.231 -38.651 -41.765 1.00 25.00 C ATOM 769 O GLY A 465 -16.793 -39.599 -41.142 1.00 25.00 O ATOM 0 H GLY A 465 -18.994 -37.409 -43.953 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.602 -39.853 -43.505 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.911 -38.282 -43.856 1.00 25.00 H new ATOM 773 N ALA A 466 -17.416 -37.457 -41.218 1.00 25.00 N ATOM 774 CA ALA A 466 -17.085 -37.172 -39.821 1.00 25.00 C ATOM 775 C ALA A 466 -17.773 -38.145 -38.847 1.00 25.00 C ATOM 776 O ALA A 466 -17.192 -38.544 -37.849 1.00 25.00 O ATOM 777 CB ALA A 466 -17.475 -35.731 -39.489 1.00 25.00 C ATOM 0 H ALA A 466 -17.798 -36.659 -41.725 1.00 25.00 H new ATOM 0 HA ALA A 466 -16.010 -37.306 -39.700 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.229 -35.518 -38.449 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.929 -35.047 -40.139 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.546 -35.599 -39.643 1.00 25.00 H new ATOM 783 N GLN A 467 -19.000 -38.533 -39.143 1.00 25.00 N ATOM 784 CA GLN A 467 -19.720 -39.486 -38.298 1.00 25.00 C ATOM 785 C GLN A 467 -19.122 -40.887 -38.428 1.00 25.00 C ATOM 786 O GLN A 467 -18.947 -41.599 -37.440 1.00 25.00 O ATOM 787 CB GLN A 467 -21.174 -39.557 -38.738 1.00 25.00 C ATOM 788 CG GLN A 467 -21.966 -38.251 -38.598 1.00 25.00 C ATOM 789 CD GLN A 467 -22.216 -37.822 -37.171 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.174 -38.611 -36.244 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.492 -36.554 -36.999 1.00 25.00 N ATOM 0 H GLN A 467 -19.522 -38.208 -39.957 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.641 -39.148 -37.265 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.206 -39.872 -39.781 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.675 -40.331 -38.156 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.427 -37.457 -39.114 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.925 -38.366 -39.103 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.518 -35.924 -37.801 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.681 -36.196 -36.063 1.00 25.00 H new ATOM 800 N ALA A 468 -18.819 -41.286 -39.657 1.00 25.00 N ATOM 801 CA ALA A 468 -18.271 -42.613 -39.911 1.00 25.00 C ATOM 802 C ALA A 468 -16.899 -42.751 -39.255 1.00 25.00 C ATOM 803 O ALA A 468 -16.597 -43.765 -38.623 1.00 25.00 O ATOM 804 CB ALA A 468 -18.172 -42.857 -41.424 1.00 25.00 C ATOM 0 H ALA A 468 -18.943 -40.712 -40.491 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.936 -43.361 -39.479 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.762 -43.850 -41.606 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.164 -42.787 -41.870 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.520 -42.107 -41.872 1.00 25.00 H new ATOM 810 N VAL A 469 -16.067 -41.729 -39.391 1.00 25.00 N ATOM 811 CA VAL A 469 -14.738 -41.776 -38.798 1.00 25.00 C ATOM 812 C VAL A 469 -14.846 -41.700 -37.286 1.00 25.00 C ATOM 813 O VAL A 469 -14.036 -42.280 -36.605 1.00 25.00 O ATOM 814 CB VAL A 469 -13.777 -40.662 -39.335 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.684 -40.735 -40.859 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.218 -39.283 -38.907 1.00 25.00 C ATOM 0 H VAL A 469 -16.283 -40.870 -39.898 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.294 -42.727 -39.093 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.793 -40.842 -38.903 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.013 -39.956 -41.220 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.298 -41.711 -41.154 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.674 -40.591 -41.291 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.524 -38.540 -39.301 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.218 -39.085 -39.292 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.231 -39.227 -37.819 1.00 25.00 H new ATOM 826 N ALA A 470 -15.847 -41.010 -36.752 1.00 25.00 N ATOM 827 CA ALA A 470 -16.002 -40.902 -35.298 1.00 25.00 C ATOM 828 C ALA A 470 -16.154 -42.289 -34.669 1.00 25.00 C ATOM 829 O ALA A 470 -15.664 -42.536 -33.563 1.00 25.00 O ATOM 830 CB ALA A 470 -17.204 -40.018 -34.942 1.00 25.00 C ATOM 0 H ALA A 470 -16.559 -40.520 -37.294 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.103 -40.435 -34.895 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.299 -39.953 -33.858 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.056 -39.020 -35.354 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.112 -40.453 -35.360 1.00 25.00 H new ATOM 836 N ALA A 471 -16.810 -43.200 -35.376 1.00 25.00 N ATOM 837 CA ALA A 471 -16.957 -44.567 -34.891 1.00 25.00 C ATOM 838 C ALA A 471 -15.580 -45.243 -34.812 1.00 25.00 C ATOM 839 O ALA A 471 -15.318 -46.014 -33.898 1.00 25.00 O ATOM 840 CB ALA A 471 -17.899 -45.356 -35.807 1.00 25.00 C ATOM 0 H ALA A 471 -17.246 -43.020 -36.280 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.392 -44.547 -33.892 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.000 -46.375 -35.434 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.878 -44.876 -35.823 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.490 -45.378 -36.817 1.00 25.00 H new ATOM 846 N ALA A 472 -14.707 -44.939 -35.760 1.00 25.00 N ATOM 847 CA ALA A 472 -13.342 -45.460 -35.747 1.00 25.00 C ATOM 848 C ALA A 472 -12.494 -44.784 -34.658 1.00 25.00 C ATOM 849 O ALA A 472 -11.629 -45.412 -34.066 1.00 25.00 O ATOM 850 CB ALA A 472 -12.692 -45.276 -37.127 1.00 25.00 C ATOM 0 H ALA A 472 -14.917 -44.332 -36.552 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.389 -46.524 -35.516 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.675 -45.668 -37.105 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.272 -45.814 -37.877 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.667 -44.216 -37.379 1.00 25.00 H new ATOM 856 N GLN A 473 -12.731 -43.505 -34.401 1.00 25.00 N ATOM 857 CA GLN A 473 -11.949 -42.766 -33.410 1.00 25.00 C ATOM 858 C GLN A 473 -12.256 -43.248 -31.999 1.00 25.00 C ATOM 859 O GLN A 473 -11.359 -43.463 -31.193 1.00 25.00 O ATOM 860 CB GLN A 473 -12.234 -41.253 -33.480 1.00 25.00 C ATOM 861 CG GLN A 473 -11.953 -40.578 -34.831 1.00 25.00 C ATOM 862 CD GLN A 473 -10.497 -40.324 -35.122 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.622 -40.572 -34.313 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.237 -39.821 -36.302 1.00 25.00 N ATOM 0 H GLN A 473 -13.456 -42.955 -34.862 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.900 -42.948 -33.642 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.281 -41.088 -33.224 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.637 -40.755 -32.716 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.364 -41.202 -35.625 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.486 -39.628 -34.864 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.998 -39.627 -36.953 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.273 -39.623 -36.571 1.00 25.00 H new ATOM 873 N ARG A 474 -13.531 -43.436 -31.690 1.00 25.00 N ATOM 874 CA ARG A 474 -13.902 -43.935 -30.362 1.00 25.00 C ATOM 875 C ARG A 474 -13.384 -45.361 -30.200 1.00 25.00 C ATOM 876 O ARG A 474 -13.088 -45.807 -29.100 1.00 25.00 O ATOM 877 CB ARG A 474 -15.418 -43.865 -30.150 1.00 25.00 C ATOM 878 CG ARG A 474 -16.225 -44.797 -31.021 1.00 25.00 C ATOM 879 CD ARG A 474 -17.700 -44.539 -30.870 1.00 25.00 C ATOM 880 NE ARG A 474 -18.505 -45.544 -31.590 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.879 -46.724 -31.103 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.569 -47.121 -29.892 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.584 -47.524 -31.856 1.00 25.00 N ATOM 0 H ARG A 474 -14.314 -43.257 -32.319 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.445 -43.303 -29.601 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.635 -44.088 -29.105 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.749 -42.843 -30.333 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.935 -44.668 -32.064 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.004 -45.831 -30.755 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.965 -44.549 -29.813 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -17.936 -43.544 -31.248 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.799 -45.315 -32.540 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.019 -46.516 -29.282 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.878 -48.035 -29.560 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.840 -47.241 -32.802 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.879 -48.433 -31.498 1.00 25.00 H new ATOM 897 N LEU A 475 -13.266 -46.059 -31.319 1.00 25.00 N ATOM 898 CA LEU A 475 -12.736 -47.415 -31.337 1.00 25.00 C ATOM 899 C LEU A 475 -11.233 -47.410 -31.046 1.00 25.00 C ATOM 900 O LEU A 475 -10.784 -48.144 -30.179 1.00 25.00 O ATOM 901 CB LEU A 475 -13.034 -48.065 -32.701 1.00 25.00 C ATOM 902 CG LEU A 475 -11.984 -49.001 -33.323 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.849 -50.303 -32.517 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.358 -49.333 -34.754 1.00 25.00 C ATOM 0 H LEU A 475 -13.534 -45.704 -32.237 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.221 -48.001 -30.556 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.961 -48.629 -32.602 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.224 -47.263 -33.414 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.026 -48.481 -33.306 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.099 -50.943 -32.982 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.544 -50.069 -31.497 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.808 -50.821 -32.499 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.606 -49.996 -35.182 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.330 -49.827 -34.771 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.408 -48.415 -35.339 1.00 25.00 H new ATOM 916 N VAL A 476 -10.451 -46.606 -31.758 1.00 25.00 N ATOM 917 CA VAL A 476 -8.998 -46.617 -31.568 1.00 25.00 C ATOM 918 C VAL A 476 -8.670 -46.183 -30.147 1.00 25.00 C ATOM 919 O VAL A 476 -7.749 -46.704 -29.513 1.00 25.00 O ATOM 920 CB VAL A 476 -8.249 -45.770 -32.645 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.627 -44.312 -32.608 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.732 -45.936 -32.508 1.00 25.00 C ATOM 0 H VAL A 476 -10.787 -45.948 -32.461 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.637 -47.636 -31.708 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.563 -46.153 -33.616 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.075 -43.773 -33.378 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.697 -44.209 -32.789 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.383 -43.897 -31.630 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.230 -45.337 -33.268 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.418 -45.604 -31.519 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.467 -46.985 -32.640 1.00 25.00 H new ATOM 932 N HIS A 477 -9.453 -45.249 -29.636 1.00 25.00 N ATOM 933 CA HIS A 477 -9.288 -44.773 -28.287 1.00 25.00 C ATOM 934 C HIS A 477 -9.524 -45.895 -27.287 1.00 25.00 C ATOM 935 O HIS A 477 -8.856 -45.961 -26.272 1.00 25.00 O ATOM 936 CB HIS A 477 -10.265 -43.635 -28.038 1.00 25.00 C ATOM 937 CG HIS A 477 -10.017 -42.917 -26.751 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.996 -42.493 -25.888 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.847 -42.561 -26.159 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.407 -41.912 -24.845 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.095 -41.919 -24.962 1.00 25.00 N ATOM 0 H HIS A 477 -10.216 -44.805 -30.147 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.267 -44.415 -28.157 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.202 -42.924 -28.861 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.281 -44.031 -28.036 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.865 -42.752 -26.566 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.939 -41.487 -24.007 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.411 -41.534 -24.310 1.00 25.00 H new ATOM 949 N ALA A 478 -10.460 -46.789 -27.576 1.00 25.00 N ATOM 950 CA ALA A 478 -10.744 -47.889 -26.669 1.00 25.00 C ATOM 951 C ALA A 478 -9.492 -48.745 -26.461 1.00 25.00 C ATOM 952 O ALA A 478 -9.158 -49.090 -25.336 1.00 25.00 O ATOM 953 CB ALA A 478 -11.896 -48.743 -27.207 1.00 25.00 C ATOM 0 H ALA A 478 -11.029 -46.774 -28.422 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.044 -47.476 -25.706 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.095 -49.562 -26.516 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.790 -48.127 -27.307 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.624 -49.149 -28.181 1.00 25.00 H new ATOM 959 N ILE A 479 -8.795 -49.076 -27.539 1.00 25.00 N ATOM 960 CA ILE A 479 -7.597 -49.913 -27.431 1.00 25.00 C ATOM 961 C ILE A 479 -6.489 -49.133 -26.752 1.00 25.00 C ATOM 962 O ILE A 479 -5.716 -49.686 -25.986 1.00 25.00 O ATOM 963 CB ILE A 479 -7.082 -50.393 -28.805 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.207 -51.082 -29.581 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.900 -51.382 -28.649 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.474 -50.401 -30.857 1.00 25.00 C ATOM 0 H ILE A 479 -9.030 -48.785 -28.488 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.877 -50.790 -26.847 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.737 -49.515 -29.351 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.937 -52.121 -29.771 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.114 -51.094 -28.976 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.560 -51.701 -29.634 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.081 -50.890 -28.125 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.226 -52.252 -28.078 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.278 -50.916 -31.383 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.769 -49.369 -30.664 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.573 -50.412 -31.471 1.00 25.00 H new ATOM 978 N ALA A 480 -6.429 -47.836 -27.017 1.00 25.00 N ATOM 979 CA ALA A 480 -5.418 -46.980 -26.414 1.00 25.00 C ATOM 980 C ALA A 480 -5.527 -47.042 -24.886 1.00 25.00 C ATOM 981 O ALA A 480 -4.555 -46.832 -24.182 1.00 25.00 O ATOM 982 CB ALA A 480 -5.577 -45.536 -26.926 1.00 25.00 C ATOM 0 H ALA A 480 -7.070 -47.353 -27.647 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.427 -47.332 -26.699 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.817 -44.902 -26.470 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.461 -45.519 -28.010 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.566 -45.163 -26.661 1.00 25.00 H new ATOM 988 N LEU A 481 -6.718 -47.329 -24.379 1.00 25.00 N ATOM 989 CA LEU A 481 -6.915 -47.500 -22.929 1.00 25.00 C ATOM 990 C LEU A 481 -6.506 -48.884 -22.483 1.00 25.00 C ATOM 991 O LEU A 481 -5.877 -49.053 -21.445 1.00 25.00 O ATOM 992 CB LEU A 481 -8.367 -47.268 -22.540 1.00 25.00 C ATOM 993 CG LEU A 481 -8.810 -45.883 -22.976 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.317 -45.864 -23.155 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.367 -44.796 -22.006 1.00 25.00 C ATOM 0 H LEU A 481 -7.563 -47.450 -24.938 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.286 -46.760 -22.434 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.001 -48.024 -23.004 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.484 -47.373 -21.461 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.326 -45.664 -23.928 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.634 -44.869 -23.468 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.602 -46.591 -23.915 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.799 -46.118 -22.211 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.710 -43.826 -22.365 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.794 -44.990 -21.022 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.279 -44.793 -21.935 1.00 25.00 H new ATOM 1007 N MET A 482 -6.879 -49.881 -23.275 1.00 25.00 N ATOM 1008 CA MET A 482 -6.592 -51.282 -22.953 1.00 25.00 C ATOM 1009 C MET A 482 -5.119 -51.527 -22.822 1.00 25.00 C ATOM 1010 O MET A 482 -4.693 -52.454 -22.153 1.00 25.00 O ATOM 1011 CB MET A 482 -7.124 -52.215 -24.038 1.00 25.00 C ATOM 1012 CG MET A 482 -8.588 -52.110 -24.172 1.00 25.00 C ATOM 1013 SD MET A 482 -9.379 -53.573 -24.862 1.00 25.00 S ATOM 1014 CE MET A 482 -9.129 -53.307 -26.602 1.00 25.00 C ATOM 0 H MET A 482 -7.384 -49.749 -24.151 1.00 25.00 H new ATOM 0 HA MET A 482 -7.086 -51.486 -22.003 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.652 -51.973 -24.990 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.852 -53.243 -23.800 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.017 -51.909 -23.190 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.822 -51.253 -24.804 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.566 -54.133 -27.163 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.607 -52.374 -26.900 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.061 -53.251 -26.812 1.00 25.00 H new ATOM 1024 N THR A 483 -4.331 -50.695 -23.470 1.00 25.00 N ATOM 1025 CA THR A 483 -2.886 -50.901 -23.440 1.00 25.00 C ATOM 1026 C THR A 483 -2.310 -50.393 -22.124 1.00 25.00 C ATOM 1027 O THR A 483 -1.302 -50.894 -21.644 1.00 25.00 O ATOM 1028 CB THR A 483 -2.218 -50.233 -24.636 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.606 -48.862 -24.687 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.669 -50.915 -25.930 1.00 25.00 C ATOM 0 H THR A 483 -4.647 -49.890 -24.011 1.00 25.00 H new ATOM 0 HA THR A 483 -2.683 -51.970 -23.508 1.00 25.00 H new ATOM 0 HB THR A 483 -1.136 -50.317 -24.532 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.177 -48.429 -25.454 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.188 -50.433 -26.782 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.389 -51.968 -25.903 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.751 -50.830 -26.028 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.975 -49.417 -21.525 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.556 -48.859 -20.238 1.00 25.00 C ATOM 1040 C GLN A 484 -3.050 -49.756 -19.131 1.00 25.00 C ATOM 1041 O GLN A 484 -2.370 -49.986 -18.136 1.00 25.00 O ATOM 1042 CB GLN A 484 -3.131 -47.461 -20.072 1.00 25.00 C ATOM 1043 CG GLN A 484 -2.865 -46.653 -21.293 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.202 -45.191 -21.133 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -2.814 -44.549 -20.173 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.936 -44.661 -22.075 1.00 25.00 N ATOM 0 H GLN A 484 -3.816 -48.988 -21.910 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.468 -48.797 -20.199 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -4.204 -47.519 -19.891 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.687 -46.977 -19.202 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -1.812 -46.748 -21.560 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.442 -47.062 -22.122 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.242 -45.230 -22.864 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.203 -43.678 -22.021 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.241 -50.296 -19.338 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.807 -51.287 -18.446 1.00 25.00 C ATOM 1057 C PHE A 485 -3.943 -52.546 -18.530 1.00 25.00 C ATOM 1058 O PHE A 485 -3.915 -53.360 -17.615 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.233 -51.594 -18.895 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.278 -50.743 -18.221 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.647 -51.006 -16.888 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.909 -49.684 -18.908 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.636 -50.223 -16.240 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.891 -48.889 -18.267 1.00 25.00 C ATOM 1065 CZ PHE A 485 -9.254 -49.160 -16.931 1.00 25.00 C ATOM 0 H PHE A 485 -4.839 -50.058 -20.129 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.830 -50.925 -17.418 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.303 -51.453 -19.974 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.449 -52.644 -18.696 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.171 -51.814 -16.352 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.640 -49.477 -19.933 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.915 -50.440 -15.220 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -9.361 -48.076 -18.801 1.00 25.00 H new ATOM 0 HZ PHE A 485 -10.002 -48.556 -16.439 1.00 25.00 H new