USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 615 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 Set 1.1: A 419 THR OG1 : rot 42:sc= 1.07 USER MOD Set 1.2: A 442 LYS NZ :NH3+ 180:sc= 2.39 (180deg=1.2) USER MOD Set 2.1: A 406 GLN : amide:sc= 0.0181 K(o=0.34,f=-2.6!) USER MOD Set 2.2: A 407 SER OG : rot 32:sc= 0.323 USER MOD Set 3.1: A 374 TYR OH : rot -60:sc= -0.548 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.788 K(o=0.24,f=-1.4!) USER MOD Set 4.1: A 365 THR OG1 : rot 180:sc= 0.105 USER MOD Set 4.2: A 426 ASN : amide:sc= -0.226 K(o=-0.12,f=-0.76) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 363 MET CE :methyl 175:sc= -1.29 (180deg=-1.33) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -99:sc= -0.466 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -1.13 F(o=-2.5!,f=-1.1) USER MOD Single : A 386 SER OG : rot -75:sc= 1.23 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.0493 F(o=-4.6!,f=-0.049) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.5) USER MOD Single : A 398 ASN : amide:sc= 1.1 K(o=1.1,f=-4.5!) USER MOD Single : A 401 LYS NZ :NH3+ 162:sc= -1.99! (180deg=-2.47!) USER MOD Single : A 402 TYR OH : rot -40:sc= -0.596 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 410 ASN : amide:sc= 0.178 X(o=0.18,f=-0.0072) USER MOD Single : A 413 HIS : no HE2:sc= 1.01 K(o=1,f=-4.3!) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.139 USER MOD Single : A 435 GLN : amide:sc= 0.0163 X(o=0.016,f=-0.32) USER MOD Single : A 436 LYS NZ :NH3+ 164:sc= -0.0541 (180deg=-0.304) USER MOD Single : A 439 TYR OH : rot -95:sc= 0.558 USER MOD Single : A 443 MET CE :methyl 163:sc= -0.934 (180deg=-2.04) USER MOD Single : A 444 LYS NZ :NH3+ -152:sc= 0.517 (180deg=-1.54!) USER MOD Single : A 445 SER OG : rot 180:sc= -0.543 USER MOD Single : A 450 SER OG : rot 173:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.440 14.615 5.700 1.00 62.51 N ATOM 2 CA TYR A 357 7.721 13.350 5.570 1.00 61.01 C ATOM 3 C TYR A 357 7.549 12.986 4.105 1.00 11.05 C ATOM 4 O TYR A 357 6.828 13.638 3.362 1.00 62.10 O ATOM 5 CB TYR A 357 6.376 13.367 6.359 1.00 41.13 C ATOM 6 CG TYR A 357 5.455 14.545 6.060 1.00 31.45 C ATOM 7 CD1 TYR A 357 4.538 14.498 5.020 1.00 44.52 C ATOM 8 CD2 TYR A 357 5.516 15.707 6.824 1.00 51.30 C ATOM 9 CE1 TYR A 357 3.715 15.563 4.748 1.00 55.31 C ATOM 10 CE2 TYR A 357 4.688 16.779 6.557 1.00 40.45 C ATOM 11 CZ TYR A 357 3.791 16.698 5.515 1.00 53.41 C ATOM 12 OH TYR A 357 2.972 17.767 5.231 1.00 3.01 O ATOM 0 HA TYR A 357 8.319 12.562 6.027 1.00 61.01 H new ATOM 0 HB2 TYR A 357 5.838 12.444 6.145 1.00 41.13 H new ATOM 0 HB3 TYR A 357 6.600 13.365 7.426 1.00 41.13 H new ATOM 0 HD1 TYR A 357 4.470 13.607 4.413 1.00 44.52 H new ATOM 0 HD2 TYR A 357 6.222 15.771 7.639 1.00 51.30 H new ATOM 0 HE1 TYR A 357 3.010 15.507 3.932 1.00 55.31 H new ATOM 0 HE2 TYR A 357 4.743 17.673 7.160 1.00 40.45 H new ATOM 0 HH TYR A 357 3.148 18.492 5.867 1.00 3.01 H new ATOM 24 N ARG A 358 8.243 11.961 3.703 1.00 34.03 N ATOM 25 CA ARG A 358 8.291 11.539 2.334 1.00 11.53 C ATOM 26 C ARG A 358 8.424 10.013 2.336 1.00 4.24 C ATOM 27 O ARG A 358 8.557 9.412 3.399 1.00 4.34 O ATOM 28 CB ARG A 358 9.547 12.184 1.702 1.00 71.40 C ATOM 29 CG ARG A 358 9.712 12.001 0.210 1.00 64.23 C ATOM 30 CD ARG A 358 11.017 12.600 -0.268 1.00 25.14 C ATOM 31 NE ARG A 358 11.170 12.467 -1.710 1.00 34.32 N ATOM 32 CZ ARG A 358 12.324 12.300 -2.350 1.00 75.24 C ATOM 33 NH1 ARG A 358 13.475 12.231 -1.677 1.00 43.44 N ATOM 34 NH2 ARG A 358 12.332 12.201 -3.665 1.00 73.33 N ATOM 0 H ARG A 358 8.803 11.384 4.331 1.00 34.03 H new ATOM 0 HA ARG A 358 7.404 11.831 1.772 1.00 11.53 H new ATOM 0 HB2 ARG A 358 9.528 13.253 1.916 1.00 71.40 H new ATOM 0 HB3 ARG A 358 10.428 11.775 2.197 1.00 71.40 H new ATOM 0 HG2 ARG A 358 9.683 10.939 -0.035 1.00 64.23 H new ATOM 0 HG3 ARG A 358 8.879 12.471 -0.312 1.00 64.23 H new ATOM 0 HD2 ARG A 358 11.057 13.654 0.007 1.00 25.14 H new ATOM 0 HD3 ARG A 358 11.850 12.108 0.234 1.00 25.14 H new ATOM 0 HE ARG A 358 10.322 12.505 -2.276 1.00 34.32 H new ATOM 0 HH11 ARG A 358 13.476 12.307 -0.660 1.00 43.44 H new ATOM 0 HH12 ARG A 358 14.353 12.103 -2.180 1.00 43.44 H new ATOM 0 HH21 ARG A 358 11.456 12.253 -4.186 1.00 73.33 H new ATOM 0 HH22 ARG A 358 13.214 12.073 -4.161 1.00 73.33 H new ATOM 46 N ALA A 359 8.378 9.399 1.193 1.00 11.41 N ATOM 47 CA ALA A 359 8.582 7.983 1.094 1.00 15.24 C ATOM 48 C ALA A 359 9.631 7.715 0.029 1.00 50.43 C ATOM 49 O ALA A 359 9.766 8.489 -0.919 1.00 2.13 O ATOM 50 CB ALA A 359 7.276 7.262 0.791 1.00 72.20 C ATOM 0 H ALA A 359 8.198 9.863 0.303 1.00 11.41 H new ATOM 0 HA ALA A 359 8.937 7.596 2.049 1.00 15.24 H new ATOM 0 HB1 ALA A 359 7.460 6.190 0.721 1.00 72.20 H new ATOM 0 HB2 ALA A 359 6.560 7.456 1.589 1.00 72.20 H new ATOM 0 HB3 ALA A 359 6.872 7.623 -0.155 1.00 72.20 H new ATOM 56 N ILE A 360 10.372 6.644 0.189 1.00 20.33 N ATOM 57 CA ILE A 360 11.447 6.324 -0.731 1.00 63.04 C ATOM 58 C ILE A 360 10.866 5.621 -1.942 1.00 72.21 C ATOM 59 O ILE A 360 10.311 4.536 -1.824 1.00 61.14 O ATOM 60 CB ILE A 360 12.490 5.401 -0.054 1.00 4.20 C ATOM 61 CG1 ILE A 360 12.994 6.040 1.247 1.00 71.51 C ATOM 62 CG2 ILE A 360 13.655 5.135 -1.002 1.00 61.35 C ATOM 63 CD1 ILE A 360 14.009 5.210 2.005 1.00 65.34 C ATOM 0 H ILE A 360 10.252 5.975 0.949 1.00 20.33 H new ATOM 0 HA ILE A 360 11.943 7.247 -1.031 1.00 63.04 H new ATOM 0 HB ILE A 360 12.015 4.450 0.185 1.00 4.20 H new ATOM 0 HG12 ILE A 360 13.438 7.008 1.013 1.00 71.51 H new ATOM 0 HG13 ILE A 360 12.140 6.230 1.898 1.00 71.51 H new ATOM 0 HG21 ILE A 360 14.381 4.485 -0.513 1.00 61.35 H new ATOM 0 HG22 ILE A 360 13.285 4.651 -1.906 1.00 61.35 H new ATOM 0 HG23 ILE A 360 14.133 6.079 -1.265 1.00 61.35 H new ATOM 0 HD11 ILE A 360 14.309 5.739 2.910 1.00 65.34 H new ATOM 0 HD12 ILE A 360 13.566 4.251 2.275 1.00 65.34 H new ATOM 0 HD13 ILE A 360 14.884 5.042 1.377 1.00 65.34 H new ATOM 70 N LYS A 361 10.997 6.235 -3.093 1.00 34.03 N ATOM 71 CA LYS A 361 10.396 5.705 -4.295 1.00 2.20 C ATOM 72 C LYS A 361 11.263 4.658 -4.986 1.00 71.05 C ATOM 73 O LYS A 361 12.491 4.604 -4.790 1.00 62.41 O ATOM 74 CB LYS A 361 10.007 6.820 -5.271 1.00 33.15 C ATOM 75 CG LYS A 361 11.158 7.669 -5.757 1.00 14.01 C ATOM 76 CD LYS A 361 10.691 8.723 -6.735 1.00 73.55 C ATOM 77 CE LYS A 361 11.854 9.555 -7.232 1.00 22.51 C ATOM 78 NZ LYS A 361 11.421 10.597 -8.179 1.00 71.31 N ATOM 0 H LYS A 361 11.515 7.104 -3.224 1.00 34.03 H new ATOM 0 HA LYS A 361 9.487 5.197 -3.974 1.00 2.20 H new ATOM 0 HB2 LYS A 361 9.515 6.372 -6.134 1.00 33.15 H new ATOM 0 HB3 LYS A 361 9.276 7.468 -4.788 1.00 33.15 H new ATOM 0 HG2 LYS A 361 11.643 8.149 -4.907 1.00 14.01 H new ATOM 0 HG3 LYS A 361 11.905 7.034 -6.233 1.00 14.01 H new ATOM 0 HD2 LYS A 361 10.193 8.246 -7.579 1.00 73.55 H new ATOM 0 HD3 LYS A 361 9.956 9.369 -6.255 1.00 73.55 H new ATOM 0 HE2 LYS A 361 12.355 10.021 -6.384 1.00 22.51 H new ATOM 0 HE3 LYS A 361 12.584 8.906 -7.716 1.00 22.51 H new ATOM 0 HZ1 LYS A 361 12.247 11.144 -8.495 1.00 71.31 H new ATOM 0 HZ2 LYS A 361 10.966 10.151 -9.001 1.00 71.31 H new ATOM 0 HZ3 LYS A 361 10.744 11.232 -7.710 1.00 71.31 H new ATOM 92 N GLY A 362 10.602 3.820 -5.783 1.00 71.21 N ATOM 93 CA GLY A 362 11.268 2.792 -6.545 1.00 2.42 C ATOM 94 C GLY A 362 11.864 1.699 -5.695 1.00 40.24 C ATOM 95 O GLY A 362 12.865 1.091 -6.077 1.00 51.41 O ATOM 0 H GLY A 362 9.590 3.843 -5.911 1.00 71.21 H new ATOM 0 HA2 GLY A 362 10.556 2.351 -7.243 1.00 2.42 H new ATOM 0 HA3 GLY A 362 12.058 3.248 -7.141 1.00 2.42 H new ATOM 99 N MET A 363 11.265 1.440 -4.558 1.00 42.32 N ATOM 100 CA MET A 363 11.736 0.386 -3.692 1.00 53.35 C ATOM 101 C MET A 363 10.622 -0.620 -3.457 1.00 70.34 C ATOM 102 O MET A 363 9.447 -0.241 -3.396 1.00 73.30 O ATOM 103 CB MET A 363 12.235 0.956 -2.353 1.00 53.43 C ATOM 104 CG MET A 363 12.809 -0.099 -1.408 1.00 3.24 C ATOM 105 SD MET A 363 13.365 0.572 0.172 1.00 65.01 S ATOM 106 CE MET A 363 14.611 1.738 -0.362 1.00 40.45 C ATOM 0 H MET A 363 10.450 1.945 -4.210 1.00 42.32 H new ATOM 0 HA MET A 363 12.574 -0.114 -4.177 1.00 53.35 H new ATOM 0 HB2 MET A 363 13.000 1.707 -2.551 1.00 53.43 H new ATOM 0 HB3 MET A 363 11.410 1.465 -1.856 1.00 53.43 H new ATOM 0 HG2 MET A 363 12.051 -0.860 -1.223 1.00 3.24 H new ATOM 0 HG3 MET A 363 13.647 -0.596 -1.897 1.00 3.24 H new ATOM 0 HE1 MET A 363 14.982 2.294 0.499 1.00 40.45 H new ATOM 0 HE2 MET A 363 15.436 1.200 -0.829 1.00 40.45 H new ATOM 0 HE3 MET A 363 14.176 2.431 -1.082 1.00 40.45 H new ATOM 116 N GLU A 364 10.973 -1.889 -3.368 1.00 10.34 N ATOM 117 CA GLU A 364 9.999 -2.914 -3.092 1.00 55.31 C ATOM 118 C GLU A 364 9.976 -3.205 -1.606 1.00 13.35 C ATOM 119 O GLU A 364 11.026 -3.391 -0.981 1.00 4.11 O ATOM 120 CB GLU A 364 10.263 -4.241 -3.851 1.00 35.02 C ATOM 121 CG GLU A 364 10.331 -4.162 -5.379 1.00 2.32 C ATOM 122 CD GLU A 364 11.615 -3.574 -5.901 1.00 15.34 C ATOM 123 OE1 GLU A 364 11.713 -2.360 -6.064 1.00 51.23 O ATOM 124 OE2 GLU A 364 12.559 -4.343 -6.153 1.00 14.03 O ATOM 0 H GLU A 364 11.928 -2.229 -3.484 1.00 10.34 H new ATOM 0 HA GLU A 364 9.041 -2.527 -3.438 1.00 55.31 H new ATOM 0 HB2 GLU A 364 11.204 -4.657 -3.490 1.00 35.02 H new ATOM 0 HB3 GLU A 364 9.478 -4.948 -3.582 1.00 35.02 H new ATOM 0 HG2 GLU A 364 10.207 -5.163 -5.791 1.00 2.32 H new ATOM 0 HG3 GLU A 364 9.495 -3.563 -5.740 1.00 2.32 H new ATOM 131 N THR A 365 8.811 -3.212 -1.050 1.00 54.44 N ATOM 132 CA THR A 365 8.598 -3.541 0.318 1.00 73.22 C ATOM 133 C THR A 365 7.566 -4.655 0.355 1.00 42.33 C ATOM 134 O THR A 365 6.507 -4.538 -0.270 1.00 74.33 O ATOM 135 CB THR A 365 8.121 -2.308 1.115 1.00 61.40 C ATOM 136 OG1 THR A 365 9.130 -1.284 1.048 1.00 1.23 O ATOM 137 CG2 THR A 365 7.847 -2.663 2.563 1.00 54.23 C ATOM 0 H THR A 365 7.954 -2.981 -1.552 1.00 54.44 H new ATOM 0 HA THR A 365 9.527 -3.869 0.784 1.00 73.22 H new ATOM 0 HB THR A 365 7.191 -1.948 0.675 1.00 61.40 H new ATOM 0 HG1 THR A 365 8.832 -0.498 1.551 1.00 1.23 H new ATOM 0 HG21 THR A 365 7.513 -1.774 3.099 1.00 54.23 H new ATOM 0 HG22 THR A 365 7.072 -3.428 2.610 1.00 54.23 H new ATOM 0 HG23 THR A 365 8.759 -3.042 3.023 1.00 54.23 H new ATOM 143 N LYS A 366 7.881 -5.733 1.021 1.00 13.12 N ATOM 144 CA LYS A 366 7.007 -6.880 1.066 1.00 42.13 C ATOM 145 C LYS A 366 6.916 -7.431 2.460 1.00 62.22 C ATOM 146 O LYS A 366 7.924 -7.523 3.167 1.00 53.44 O ATOM 147 CB LYS A 366 7.535 -7.964 0.155 1.00 54.34 C ATOM 148 CG LYS A 366 7.597 -7.587 -1.303 1.00 70.34 C ATOM 149 CD LYS A 366 8.273 -8.668 -2.141 1.00 62.15 C ATOM 150 CE LYS A 366 7.494 -9.977 -2.142 1.00 60.01 C ATOM 151 NZ LYS A 366 8.189 -11.052 -2.892 1.00 50.51 N ATOM 0 H LYS A 366 8.748 -5.844 1.547 1.00 13.12 H new ATOM 0 HA LYS A 366 6.017 -6.560 0.740 1.00 42.13 H new ATOM 0 HB2 LYS A 366 8.535 -8.243 0.487 1.00 54.34 H new ATOM 0 HB3 LYS A 366 6.906 -8.847 0.261 1.00 54.34 H new ATOM 0 HG2 LYS A 366 6.588 -7.416 -1.677 1.00 70.34 H new ATOM 0 HG3 LYS A 366 8.141 -6.649 -1.413 1.00 70.34 H new ATOM 0 HD2 LYS A 366 8.383 -8.313 -3.166 1.00 62.15 H new ATOM 0 HD3 LYS A 366 9.277 -8.847 -1.756 1.00 62.15 H new ATOM 0 HE2 LYS A 366 7.334 -10.301 -1.114 1.00 60.01 H new ATOM 0 HE3 LYS A 366 6.510 -9.810 -2.581 1.00 60.01 H new ATOM 0 HZ1 LYS A 366 7.618 -11.921 -2.862 1.00 50.51 H new ATOM 0 HZ2 LYS A 366 8.320 -10.757 -3.881 1.00 50.51 H new ATOM 0 HZ3 LYS A 366 9.117 -11.233 -2.459 1.00 50.51 H new ATOM 165 N ARG A 367 5.739 -7.845 2.852 1.00 64.21 N ATOM 166 CA ARG A 367 5.555 -8.380 4.175 1.00 64.15 C ATOM 167 C ARG A 367 4.328 -9.282 4.182 1.00 4.15 C ATOM 168 O ARG A 367 3.286 -8.912 3.644 1.00 1.14 O ATOM 169 CB ARG A 367 5.450 -7.191 5.161 1.00 62.32 C ATOM 170 CG ARG A 367 5.506 -7.485 6.665 1.00 60.44 C ATOM 171 CD ARG A 367 4.208 -7.919 7.292 1.00 45.30 C ATOM 172 NE ARG A 367 4.355 -7.980 8.766 1.00 23.43 N ATOM 173 CZ ARG A 367 3.503 -8.543 9.636 1.00 31.23 C ATOM 174 NH1 ARG A 367 2.513 -9.300 9.212 1.00 51.43 N ATOM 175 NH2 ARG A 367 3.702 -8.390 10.941 1.00 52.43 N ATOM 0 H ARG A 367 4.897 -7.822 2.277 1.00 64.21 H new ATOM 0 HA ARG A 367 6.396 -8.998 4.489 1.00 64.15 H new ATOM 0 HB2 ARG A 367 6.256 -6.494 4.928 1.00 62.32 H new ATOM 0 HB3 ARG A 367 4.512 -6.673 4.958 1.00 62.32 H new ATOM 0 HG2 ARG A 367 6.250 -8.263 6.837 1.00 60.44 H new ATOM 0 HG3 ARG A 367 5.856 -6.590 7.179 1.00 60.44 H new ATOM 0 HD2 ARG A 367 3.414 -7.221 7.026 1.00 45.30 H new ATOM 0 HD3 ARG A 367 3.916 -8.896 6.906 1.00 45.30 H new ATOM 0 HE ARG A 367 5.191 -7.549 9.160 1.00 23.43 H new ATOM 0 HH11 ARG A 367 2.388 -9.464 8.213 1.00 51.43 H new ATOM 0 HH12 ARG A 367 1.871 -9.723 9.882 1.00 51.43 H new ATOM 0 HH21 ARG A 367 4.498 -7.847 11.275 1.00 52.43 H new ATOM 0 HH22 ARG A 367 3.058 -8.815 11.608 1.00 52.43 H new ATOM 187 N GLU A 368 4.458 -10.462 4.760 1.00 65.45 N ATOM 188 CA GLU A 368 3.349 -11.420 4.779 1.00 50.34 C ATOM 189 C GLU A 368 2.371 -11.067 5.852 1.00 11.33 C ATOM 190 O GLU A 368 2.752 -10.839 6.994 1.00 15.13 O ATOM 191 CB GLU A 368 3.791 -12.891 4.949 1.00 55.04 C ATOM 192 CG GLU A 368 4.594 -13.499 3.797 1.00 42.11 C ATOM 193 CD GLU A 368 5.950 -12.886 3.604 1.00 42.24 C ATOM 194 OE1 GLU A 368 6.858 -13.196 4.393 1.00 42.31 O ATOM 195 OE2 GLU A 368 6.132 -12.092 2.658 1.00 24.22 O ATOM 0 H GLU A 368 5.309 -10.785 5.221 1.00 65.45 H new ATOM 0 HA GLU A 368 2.882 -11.345 3.797 1.00 50.34 H new ATOM 0 HB2 GLU A 368 4.388 -12.965 5.858 1.00 55.04 H new ATOM 0 HB3 GLU A 368 2.900 -13.500 5.103 1.00 55.04 H new ATOM 0 HG2 GLU A 368 4.712 -14.568 3.975 1.00 42.11 H new ATOM 0 HG3 GLU A 368 4.024 -13.391 2.874 1.00 42.11 H new ATOM 202 N ILE A 369 1.121 -10.994 5.490 1.00 15.55 N ATOM 203 CA ILE A 369 0.079 -10.642 6.401 1.00 60.32 C ATOM 204 C ILE A 369 -1.059 -11.607 6.132 1.00 21.44 C ATOM 205 O ILE A 369 -1.497 -11.720 5.014 1.00 42.03 O ATOM 206 CB ILE A 369 -0.377 -9.172 6.129 1.00 34.21 C ATOM 207 CG1 ILE A 369 0.845 -8.252 6.116 1.00 3.30 C ATOM 208 CG2 ILE A 369 -1.345 -8.699 7.202 1.00 44.52 C ATOM 209 CD1 ILE A 369 0.568 -6.843 5.711 1.00 41.11 C ATOM 0 H ILE A 369 0.797 -11.180 4.541 1.00 15.55 H new ATOM 0 HA ILE A 369 0.407 -10.702 7.439 1.00 60.32 H new ATOM 0 HB ILE A 369 -0.881 -9.141 5.163 1.00 34.21 H new ATOM 0 HG12 ILE A 369 1.289 -8.248 7.112 1.00 3.30 H new ATOM 0 HG13 ILE A 369 1.589 -8.670 5.438 1.00 3.30 H new ATOM 0 HG21 ILE A 369 -1.649 -7.673 6.992 1.00 44.52 H new ATOM 0 HG22 ILE A 369 -2.224 -9.343 7.209 1.00 44.52 H new ATOM 0 HG23 ILE A 369 -0.857 -8.741 8.176 1.00 44.52 H new ATOM 0 HD11 ILE A 369 1.495 -6.269 5.732 1.00 41.11 H new ATOM 0 HD12 ILE A 369 0.156 -6.829 4.702 1.00 41.11 H new ATOM 0 HD13 ILE A 369 -0.149 -6.400 6.402 1.00 41.11 H new ATOM 216 N GLY A 370 -1.461 -12.357 7.133 1.00 52.32 N ATOM 217 CA GLY A 370 -2.528 -13.348 6.965 1.00 25.25 C ATOM 218 C GLY A 370 -2.149 -14.514 6.044 1.00 24.34 C ATOM 219 O GLY A 370 -2.966 -15.400 5.779 1.00 44.34 O ATOM 0 H GLY A 370 -1.073 -12.308 8.075 1.00 52.32 H new ATOM 0 HA2 GLY A 370 -2.801 -13.744 7.943 1.00 25.25 H new ATOM 0 HA3 GLY A 370 -3.412 -12.852 6.563 1.00 25.25 H new ATOM 223 N GLY A 371 -0.919 -14.526 5.576 1.00 12.15 N ATOM 224 CA GLY A 371 -0.487 -15.558 4.680 1.00 64.12 C ATOM 225 C GLY A 371 -0.214 -15.044 3.295 1.00 54.31 C ATOM 226 O GLY A 371 0.421 -15.716 2.483 1.00 2.13 O ATOM 0 H GLY A 371 -0.208 -13.831 5.805 1.00 12.15 H new ATOM 0 HA2 GLY A 371 0.416 -16.023 5.076 1.00 64.12 H new ATOM 0 HA3 GLY A 371 -1.250 -16.335 4.631 1.00 64.12 H new ATOM 230 N TYR A 372 -0.695 -13.868 3.011 1.00 15.22 N ATOM 231 CA TYR A 372 -0.464 -13.265 1.741 1.00 63.23 C ATOM 232 C TYR A 372 0.604 -12.208 1.865 1.00 41.14 C ATOM 233 O TYR A 372 0.683 -11.509 2.871 1.00 55.54 O ATOM 234 CB TYR A 372 -1.770 -12.719 1.112 1.00 20.41 C ATOM 235 CG TYR A 372 -2.593 -11.849 2.026 1.00 25.01 C ATOM 236 CD1 TYR A 372 -2.203 -10.569 2.315 1.00 11.21 C ATOM 237 CD2 TYR A 372 -3.769 -12.320 2.596 1.00 54.45 C ATOM 238 CE1 TYR A 372 -2.939 -9.772 3.142 1.00 55.10 C ATOM 239 CE2 TYR A 372 -4.522 -11.521 3.432 1.00 75.41 C ATOM 240 CZ TYR A 372 -4.098 -10.242 3.701 1.00 53.02 C ATOM 241 OH TYR A 372 -4.838 -9.426 4.534 1.00 53.24 O ATOM 0 H TYR A 372 -1.255 -13.307 3.653 1.00 15.22 H new ATOM 0 HA TYR A 372 -0.104 -14.030 1.053 1.00 63.23 H new ATOM 0 HB2 TYR A 372 -1.516 -12.147 0.220 1.00 20.41 H new ATOM 0 HB3 TYR A 372 -2.381 -13.561 0.787 1.00 20.41 H new ATOM 0 HD1 TYR A 372 -1.294 -10.182 1.879 1.00 11.21 H new ATOM 0 HD2 TYR A 372 -4.099 -13.326 2.382 1.00 54.45 H new ATOM 0 HE1 TYR A 372 -2.607 -8.767 3.357 1.00 55.10 H new ATOM 0 HE2 TYR A 372 -5.435 -11.897 3.870 1.00 75.41 H new ATOM 0 HH TYR A 372 -5.631 -9.910 4.846 1.00 53.24 H new ATOM 251 N THR A 373 1.432 -12.116 0.890 1.00 21.25 N ATOM 252 CA THR A 373 2.497 -11.169 0.916 1.00 44.54 C ATOM 253 C THR A 373 2.049 -9.841 0.361 1.00 52.31 C ATOM 254 O THR A 373 1.571 -9.762 -0.753 1.00 15.25 O ATOM 255 CB THR A 373 3.694 -11.682 0.111 1.00 63.03 C ATOM 256 OG1 THR A 373 4.143 -12.923 0.675 1.00 31.34 O ATOM 257 CG2 THR A 373 4.832 -10.674 0.129 1.00 10.13 C ATOM 0 H THR A 373 1.395 -12.692 0.049 1.00 21.25 H new ATOM 0 HA THR A 373 2.796 -11.034 1.955 1.00 44.54 H new ATOM 0 HB THR A 373 3.383 -11.830 -0.923 1.00 63.03 H new ATOM 0 HG1 THR A 373 4.919 -12.759 1.251 1.00 31.34 H new ATOM 0 HG21 THR A 373 5.671 -11.062 -0.450 1.00 10.13 H new ATOM 0 HG22 THR A 373 4.493 -9.735 -0.308 1.00 10.13 H new ATOM 0 HG23 THR A 373 5.150 -10.502 1.157 1.00 10.13 H new ATOM 263 N TYR A 374 2.202 -8.810 1.122 1.00 62.43 N ATOM 264 CA TYR A 374 1.896 -7.527 0.634 1.00 54.41 C ATOM 265 C TYR A 374 3.098 -6.925 0.020 1.00 65.34 C ATOM 266 O TYR A 374 4.152 -6.882 0.631 1.00 14.44 O ATOM 267 CB TYR A 374 1.305 -6.636 1.694 1.00 24.51 C ATOM 268 CG TYR A 374 -0.141 -6.430 1.461 1.00 11.12 C ATOM 269 CD1 TYR A 374 -0.555 -5.584 0.449 1.00 61.02 C ATOM 270 CD2 TYR A 374 -1.098 -7.074 2.209 1.00 53.42 C ATOM 271 CE1 TYR A 374 -1.861 -5.377 0.190 1.00 42.15 C ATOM 272 CE2 TYR A 374 -2.442 -6.860 1.942 1.00 12.01 C ATOM 273 CZ TYR A 374 -2.811 -6.020 0.942 1.00 4.02 C ATOM 274 OH TYR A 374 -4.145 -5.822 0.696 1.00 4.21 O ATOM 0 H TYR A 374 2.538 -8.841 2.085 1.00 62.43 H new ATOM 0 HA TYR A 374 1.127 -7.632 -0.132 1.00 54.41 H new ATOM 0 HB2 TYR A 374 1.460 -7.081 2.677 1.00 24.51 H new ATOM 0 HB3 TYR A 374 1.818 -5.674 1.695 1.00 24.51 H new ATOM 0 HD1 TYR A 374 0.187 -5.076 -0.149 1.00 61.02 H new ATOM 0 HD2 TYR A 374 -0.804 -7.745 3.003 1.00 53.42 H new ATOM 0 HE1 TYR A 374 -2.158 -4.709 -0.605 1.00 42.15 H new ATOM 0 HE2 TYR A 374 -3.196 -7.362 2.530 1.00 12.01 H new ATOM 0 HH TYR A 374 -4.362 -4.873 0.812 1.00 4.21 H new ATOM 284 N LYS A 375 2.948 -6.496 -1.193 1.00 55.42 N ATOM 285 CA LYS A 375 4.043 -5.967 -1.956 1.00 70.23 C ATOM 286 C LYS A 375 3.712 -4.571 -2.368 1.00 61.43 C ATOM 287 O LYS A 375 2.683 -4.338 -2.974 1.00 42.45 O ATOM 288 CB LYS A 375 4.268 -6.816 -3.227 1.00 14.12 C ATOM 289 CG LYS A 375 5.391 -6.317 -4.114 1.00 32.42 C ATOM 290 CD LYS A 375 5.446 -7.078 -5.428 1.00 20.22 C ATOM 291 CE LYS A 375 6.453 -6.442 -6.360 1.00 60.43 C ATOM 292 NZ LYS A 375 6.549 -7.133 -7.668 1.00 4.20 N ATOM 0 H LYS A 375 2.057 -6.501 -1.689 1.00 55.42 H new ATOM 0 HA LYS A 375 4.946 -5.986 -1.346 1.00 70.23 H new ATOM 0 HB2 LYS A 375 4.482 -7.843 -2.932 1.00 14.12 H new ATOM 0 HB3 LYS A 375 3.344 -6.836 -3.805 1.00 14.12 H new ATOM 0 HG2 LYS A 375 5.253 -5.254 -4.314 1.00 32.42 H new ATOM 0 HG3 LYS A 375 6.342 -6.422 -3.592 1.00 32.42 H new ATOM 0 HD2 LYS A 375 5.717 -8.117 -5.243 1.00 20.22 H new ATOM 0 HD3 LYS A 375 4.461 -7.083 -5.895 1.00 20.22 H new ATOM 0 HE2 LYS A 375 6.179 -5.400 -6.525 1.00 60.43 H new ATOM 0 HE3 LYS A 375 7.433 -6.442 -5.882 1.00 60.43 H new ATOM 0 HZ1 LYS A 375 7.254 -6.653 -8.263 1.00 4.20 H new ATOM 0 HZ2 LYS A 375 6.838 -8.121 -7.518 1.00 4.20 H new ATOM 0 HZ3 LYS A 375 5.623 -7.111 -8.141 1.00 4.20 H new ATOM 306 N VAL A 376 4.553 -3.660 -2.047 1.00 12.24 N ATOM 307 CA VAL A 376 4.362 -2.307 -2.467 1.00 55.43 C ATOM 308 C VAL A 376 5.588 -1.820 -3.207 1.00 32.22 C ATOM 309 O VAL A 376 6.716 -1.942 -2.712 1.00 22.32 O ATOM 310 CB VAL A 376 4.002 -1.360 -1.268 1.00 13.42 C ATOM 311 CG1 VAL A 376 5.062 -1.403 -0.205 1.00 64.13 C ATOM 312 CG2 VAL A 376 3.805 0.073 -1.729 1.00 71.23 C ATOM 0 H VAL A 376 5.392 -3.821 -1.489 1.00 12.24 H new ATOM 0 HA VAL A 376 3.509 -2.282 -3.145 1.00 55.43 H new ATOM 0 HB VAL A 376 3.064 -1.723 -0.849 1.00 13.42 H new ATOM 0 HG11 VAL A 376 4.785 -0.737 0.612 1.00 64.13 H new ATOM 0 HG12 VAL A 376 5.157 -2.421 0.173 1.00 64.13 H new ATOM 0 HG13 VAL A 376 6.014 -1.082 -0.627 1.00 64.13 H new ATOM 0 HG21 VAL A 376 3.557 0.700 -0.872 1.00 71.23 H new ATOM 0 HG22 VAL A 376 4.723 0.436 -2.191 1.00 71.23 H new ATOM 0 HG23 VAL A 376 2.993 0.113 -2.455 1.00 71.23 H new ATOM 318 N VAL A 377 5.387 -1.358 -4.414 1.00 53.22 N ATOM 319 CA VAL A 377 6.452 -0.748 -5.148 1.00 72.12 C ATOM 320 C VAL A 377 6.090 0.700 -5.310 1.00 64.20 C ATOM 321 O VAL A 377 5.089 1.035 -5.963 1.00 51.00 O ATOM 322 CB VAL A 377 6.664 -1.400 -6.534 1.00 3.34 C ATOM 323 CG1 VAL A 377 7.867 -0.785 -7.241 1.00 51.32 C ATOM 324 CG2 VAL A 377 6.839 -2.897 -6.391 1.00 60.21 C ATOM 0 H VAL A 377 4.494 -1.395 -4.905 1.00 53.22 H new ATOM 0 HA VAL A 377 7.389 -0.876 -4.606 1.00 72.12 H new ATOM 0 HB VAL A 377 5.779 -1.211 -7.142 1.00 3.34 H new ATOM 0 HG11 VAL A 377 7.998 -1.258 -8.214 1.00 51.32 H new ATOM 0 HG12 VAL A 377 7.702 0.284 -7.376 1.00 51.32 H new ATOM 0 HG13 VAL A 377 8.762 -0.941 -6.638 1.00 51.32 H new ATOM 0 HG21 VAL A 377 6.987 -3.342 -7.375 1.00 60.21 H new ATOM 0 HG22 VAL A 377 7.707 -3.104 -5.765 1.00 60.21 H new ATOM 0 HG23 VAL A 377 5.949 -3.325 -5.930 1.00 60.21 H new ATOM 330 N PHE A 378 6.893 1.547 -4.728 1.00 1.02 N ATOM 331 CA PHE A 378 6.621 2.968 -4.674 1.00 33.41 C ATOM 332 C PHE A 378 6.573 3.612 -6.049 1.00 44.45 C ATOM 333 O PHE A 378 7.510 3.491 -6.834 1.00 33.42 O ATOM 334 CB PHE A 378 7.612 3.675 -3.766 1.00 45.15 C ATOM 335 CG PHE A 378 7.542 3.248 -2.319 1.00 35.24 C ATOM 336 CD1 PHE A 378 8.273 2.163 -1.861 1.00 11.35 C ATOM 337 CD2 PHE A 378 6.753 3.942 -1.419 1.00 41.44 C ATOM 338 CE1 PHE A 378 8.217 1.780 -0.537 1.00 21.32 C ATOM 339 CE2 PHE A 378 6.695 3.564 -0.093 1.00 43.24 C ATOM 340 CZ PHE A 378 7.428 2.482 0.348 1.00 70.01 C ATOM 0 H PHE A 378 7.764 1.274 -4.272 1.00 1.02 H new ATOM 0 HA PHE A 378 5.624 3.081 -4.249 1.00 33.41 H new ATOM 0 HB2 PHE A 378 8.621 3.494 -4.138 1.00 45.15 H new ATOM 0 HB3 PHE A 378 7.438 4.749 -3.825 1.00 45.15 H new ATOM 0 HD1 PHE A 378 8.895 1.610 -2.550 1.00 11.35 H new ATOM 0 HD2 PHE A 378 6.176 4.789 -1.758 1.00 41.44 H new ATOM 0 HE1 PHE A 378 8.791 0.931 -0.195 1.00 21.32 H new ATOM 0 HE2 PHE A 378 6.076 4.115 0.599 1.00 43.24 H new ATOM 0 HZ PHE A 378 7.384 2.185 1.386 1.00 70.01 H new ATOM 350 N TYR A 379 5.453 4.313 -6.302 1.00 14.35 N ATOM 351 CA TYR A 379 5.151 4.993 -7.566 1.00 44.10 C ATOM 352 C TYR A 379 4.799 4.030 -8.689 1.00 70.32 C ATOM 353 O TYR A 379 4.746 4.410 -9.857 1.00 62.22 O ATOM 354 CB TYR A 379 6.217 6.033 -7.954 1.00 0.31 C ATOM 355 CG TYR A 379 6.195 7.262 -7.059 1.00 35.31 C ATOM 356 CD1 TYR A 379 6.684 7.220 -5.762 1.00 13.23 C ATOM 357 CD2 TYR A 379 5.675 8.467 -7.519 1.00 23.44 C ATOM 358 CE1 TYR A 379 6.656 8.334 -4.945 1.00 71.22 C ATOM 359 CE2 TYR A 379 5.645 9.588 -6.710 1.00 72.35 C ATOM 360 CZ TYR A 379 6.137 9.514 -5.423 1.00 22.54 C ATOM 361 OH TYR A 379 6.116 10.631 -4.615 1.00 4.34 O ATOM 0 H TYR A 379 4.713 4.423 -5.609 1.00 14.35 H new ATOM 0 HA TYR A 379 4.241 5.567 -7.390 1.00 44.10 H new ATOM 0 HB2 TYR A 379 7.203 5.571 -7.905 1.00 0.31 H new ATOM 0 HB3 TYR A 379 6.059 6.339 -8.988 1.00 0.31 H new ATOM 0 HD1 TYR A 379 7.096 6.297 -5.382 1.00 13.23 H new ATOM 0 HD2 TYR A 379 5.288 8.528 -8.525 1.00 23.44 H new ATOM 0 HE1 TYR A 379 7.040 8.278 -3.937 1.00 71.22 H new ATOM 0 HE2 TYR A 379 5.239 10.516 -7.083 1.00 72.35 H new ATOM 0 HH TYR A 379 5.718 11.381 -5.104 1.00 4.34 H new ATOM 371 N GLU A 380 4.514 2.791 -8.327 1.00 61.23 N ATOM 372 CA GLU A 380 4.061 1.823 -9.294 1.00 45.33 C ATOM 373 C GLU A 380 2.764 1.146 -8.902 1.00 24.43 C ATOM 374 O GLU A 380 1.676 1.578 -9.296 1.00 4.44 O ATOM 375 CB GLU A 380 5.119 0.775 -9.636 1.00 15.31 C ATOM 376 CG GLU A 380 6.271 1.300 -10.446 1.00 63.33 C ATOM 377 CD GLU A 380 7.193 0.213 -10.887 1.00 72.12 C ATOM 378 OE1 GLU A 380 6.840 -0.533 -11.839 1.00 53.42 O ATOM 379 OE2 GLU A 380 8.276 0.087 -10.335 1.00 4.35 O ATOM 0 H GLU A 380 4.590 2.439 -7.373 1.00 61.23 H new ATOM 0 HA GLU A 380 3.870 2.410 -10.192 1.00 45.33 H new ATOM 0 HB2 GLU A 380 5.505 0.350 -8.710 1.00 15.31 H new ATOM 0 HB3 GLU A 380 4.644 -0.038 -10.186 1.00 15.31 H new ATOM 0 HG2 GLU A 380 5.888 1.826 -11.321 1.00 63.33 H new ATOM 0 HG3 GLU A 380 6.827 2.028 -9.855 1.00 63.33 H new ATOM 386 N ASN A 381 2.866 0.125 -8.077 1.00 71.04 N ATOM 387 CA ASN A 381 1.728 -0.733 -7.795 1.00 24.13 C ATOM 388 C ASN A 381 1.915 -1.583 -6.548 1.00 42.13 C ATOM 389 O ASN A 381 3.049 -1.851 -6.125 1.00 63.35 O ATOM 390 CB ASN A 381 1.402 -1.607 -9.039 1.00 71.40 C ATOM 391 CG ASN A 381 2.635 -2.300 -9.675 1.00 71.20 C ATOM 392 OD1 ASN A 381 3.632 -2.646 -8.885 1.00 25.31 O flip ATOM 393 ND2 ASN A 381 2.668 -2.523 -10.887 1.00 21.45 N flip ATOM 0 H ASN A 381 3.724 -0.133 -7.589 1.00 71.04 H new ATOM 0 HA ASN A 381 0.877 -0.085 -7.582 1.00 24.13 H new ATOM 0 HB2 ASN A 381 0.679 -2.371 -8.752 1.00 71.40 H new ATOM 0 HB3 ASN A 381 0.923 -0.981 -9.792 1.00 71.40 H new ATOM 0 HD21 ASN A 381 1.884 -2.246 -11.478 1.00 21.45 H new ATOM 0 HD22 ASN A 381 3.479 -2.985 -11.299 1.00 21.45 H new ATOM 399 N VAL A 382 0.800 -1.993 -5.975 1.00 33.42 N ATOM 400 CA VAL A 382 0.754 -2.819 -4.767 1.00 33.55 C ATOM 401 C VAL A 382 0.111 -4.148 -5.103 1.00 51.11 C ATOM 402 O VAL A 382 -0.787 -4.207 -5.948 1.00 51.15 O ATOM 403 CB VAL A 382 -0.070 -2.124 -3.629 1.00 22.34 C ATOM 404 CG1 VAL A 382 -0.172 -2.992 -2.375 1.00 55.50 C ATOM 405 CG2 VAL A 382 0.552 -0.817 -3.271 1.00 4.20 C ATOM 0 H VAL A 382 -0.124 -1.760 -6.339 1.00 33.42 H new ATOM 0 HA VAL A 382 1.774 -2.963 -4.411 1.00 33.55 H new ATOM 0 HB VAL A 382 -1.078 -1.969 -4.014 1.00 22.34 H new ATOM 0 HG11 VAL A 382 -0.752 -2.467 -1.616 1.00 55.50 H new ATOM 0 HG12 VAL A 382 -0.665 -3.932 -2.622 1.00 55.50 H new ATOM 0 HG13 VAL A 382 0.828 -3.196 -1.991 1.00 55.50 H new ATOM 0 HG21 VAL A 382 -0.028 -0.343 -2.480 1.00 4.20 H new ATOM 0 HG22 VAL A 382 1.572 -0.982 -2.924 1.00 4.20 H new ATOM 0 HG23 VAL A 382 0.568 -0.169 -4.148 1.00 4.20 H new ATOM 411 N PHE A 383 0.571 -5.200 -4.470 1.00 4.14 N ATOM 412 CA PHE A 383 0.055 -6.525 -4.686 1.00 72.34 C ATOM 413 C PHE A 383 -0.186 -7.242 -3.379 1.00 62.43 C ATOM 414 O PHE A 383 0.507 -7.010 -2.390 1.00 12.22 O ATOM 415 CB PHE A 383 1.009 -7.362 -5.555 1.00 23.30 C ATOM 416 CG PHE A 383 1.167 -6.850 -6.946 1.00 72.22 C ATOM 417 CD1 PHE A 383 2.070 -5.851 -7.223 1.00 73.22 C ATOM 418 CD2 PHE A 383 0.407 -7.364 -7.973 1.00 30.11 C ATOM 419 CE1 PHE A 383 2.211 -5.373 -8.492 1.00 11.43 C ATOM 420 CE2 PHE A 383 0.547 -6.889 -9.254 1.00 62.43 C ATOM 421 CZ PHE A 383 1.453 -5.889 -9.515 1.00 52.21 C ATOM 0 H PHE A 383 1.323 -5.157 -3.783 1.00 4.14 H new ATOM 0 HA PHE A 383 -0.895 -6.412 -5.208 1.00 72.34 H new ATOM 0 HB2 PHE A 383 1.988 -7.392 -5.076 1.00 23.30 H new ATOM 0 HB3 PHE A 383 0.642 -8.388 -5.596 1.00 23.30 H new ATOM 0 HD1 PHE A 383 2.674 -5.441 -6.427 1.00 73.22 H new ATOM 0 HD2 PHE A 383 -0.306 -8.149 -7.769 1.00 30.11 H new ATOM 0 HE1 PHE A 383 2.922 -4.585 -8.694 1.00 11.43 H new ATOM 0 HE2 PHE A 383 -0.052 -7.300 -10.053 1.00 62.43 H new ATOM 0 HZ PHE A 383 1.569 -5.511 -10.520 1.00 52.21 H new ATOM 431 N GLN A 384 -1.180 -8.076 -3.384 1.00 71.30 N ATOM 432 CA GLN A 384 -1.489 -8.947 -2.292 1.00 23.22 C ATOM 433 C GLN A 384 -1.229 -10.349 -2.792 1.00 35.21 C ATOM 434 O GLN A 384 -2.038 -10.908 -3.531 1.00 31.32 O ATOM 435 CB GLN A 384 -2.950 -8.789 -1.876 1.00 4.31 C ATOM 436 CG GLN A 384 -3.367 -9.623 -0.683 1.00 61.14 C ATOM 437 CD GLN A 384 -4.844 -9.494 -0.387 1.00 63.13 C ATOM 438 OE1 GLN A 384 -5.660 -10.234 -0.915 1.00 1.01 O ATOM 439 NE2 GLN A 384 -5.193 -8.563 0.439 1.00 22.23 N ATOM 0 H GLN A 384 -1.819 -8.172 -4.173 1.00 71.30 H new ATOM 0 HA GLN A 384 -0.883 -8.717 -1.416 1.00 23.22 H new ATOM 0 HB2 GLN A 384 -3.137 -7.739 -1.650 1.00 4.31 H new ATOM 0 HB3 GLN A 384 -3.584 -9.050 -2.723 1.00 4.31 H new ATOM 0 HG2 GLN A 384 -3.125 -10.669 -0.870 1.00 61.14 H new ATOM 0 HG3 GLN A 384 -2.794 -9.315 0.192 1.00 61.14 H new ATOM 0 HE21 GLN A 384 -4.484 -7.964 0.861 1.00 22.23 H new ATOM 0 HE22 GLN A 384 -6.178 -8.428 0.669 1.00 22.23 H new ATOM 447 N ASP A 385 -0.069 -10.862 -2.447 1.00 63.14 N ATOM 448 CA ASP A 385 0.464 -12.159 -2.907 1.00 32.10 C ATOM 449 C ASP A 385 0.876 -12.043 -4.353 1.00 64.33 C ATOM 450 O ASP A 385 2.048 -11.875 -4.678 1.00 33.35 O ATOM 451 CB ASP A 385 -0.542 -13.312 -2.747 1.00 20.15 C ATOM 452 CG ASP A 385 0.060 -14.653 -3.132 1.00 1.12 C ATOM 453 OD1 ASP A 385 0.011 -15.028 -4.325 1.00 52.04 O ATOM 454 OD2 ASP A 385 0.612 -15.340 -2.253 1.00 41.15 O ATOM 0 H ASP A 385 0.568 -10.380 -1.813 1.00 63.14 H new ATOM 0 HA ASP A 385 1.322 -12.398 -2.279 1.00 32.10 H new ATOM 0 HB2 ASP A 385 -0.885 -13.352 -1.713 1.00 20.15 H new ATOM 0 HB3 ASP A 385 -1.418 -13.117 -3.366 1.00 20.15 H new ATOM 459 N SER A 386 -0.098 -12.097 -5.194 1.00 2.11 N ATOM 460 CA SER A 386 0.070 -11.959 -6.594 1.00 72.31 C ATOM 461 C SER A 386 -1.099 -11.165 -7.170 1.00 31.40 C ATOM 462 O SER A 386 -1.129 -10.839 -8.353 1.00 23.44 O ATOM 463 CB SER A 386 0.206 -13.346 -7.230 1.00 41.54 C ATOM 464 OG SER A 386 -0.826 -14.220 -6.767 1.00 23.13 O ATOM 0 H SER A 386 -1.067 -12.244 -4.913 1.00 2.11 H new ATOM 0 HA SER A 386 0.982 -11.406 -6.818 1.00 72.31 H new ATOM 0 HB2 SER A 386 0.156 -13.260 -8.315 1.00 41.54 H new ATOM 0 HB3 SER A 386 1.182 -13.768 -6.988 1.00 41.54 H new ATOM 0 HG SER A 386 -0.624 -14.509 -5.853 1.00 23.13 H new ATOM 470 N ILE A 387 -2.045 -10.825 -6.300 1.00 35.41 N ATOM 471 CA ILE A 387 -3.224 -10.072 -6.689 1.00 41.32 C ATOM 472 C ILE A 387 -2.856 -8.595 -6.774 1.00 44.52 C ATOM 473 O ILE A 387 -2.250 -8.069 -5.857 1.00 50.41 O ATOM 474 CB ILE A 387 -4.357 -10.229 -5.627 1.00 72.43 C ATOM 475 CG1 ILE A 387 -4.700 -11.712 -5.384 1.00 71.14 C ATOM 476 CG2 ILE A 387 -5.605 -9.450 -6.032 1.00 23.43 C ATOM 477 CD1 ILE A 387 -5.190 -12.453 -6.603 1.00 74.51 C ATOM 0 H ILE A 387 -2.013 -11.065 -5.309 1.00 35.41 H new ATOM 0 HA ILE A 387 -3.576 -10.448 -7.649 1.00 41.32 H new ATOM 0 HB ILE A 387 -3.984 -9.812 -4.691 1.00 72.43 H new ATOM 0 HG12 ILE A 387 -3.814 -12.218 -5.000 1.00 71.14 H new ATOM 0 HG13 ILE A 387 -5.463 -11.772 -4.608 1.00 71.14 H new ATOM 0 HG21 ILE A 387 -6.377 -9.579 -5.273 1.00 23.43 H new ATOM 0 HG22 ILE A 387 -5.360 -8.392 -6.124 1.00 23.43 H new ATOM 0 HG23 ILE A 387 -5.972 -9.822 -6.989 1.00 23.43 H new ATOM 0 HD11 ILE A 387 -5.406 -13.488 -6.337 1.00 74.51 H new ATOM 0 HD12 ILE A 387 -6.096 -11.977 -6.978 1.00 74.51 H new ATOM 0 HD13 ILE A 387 -4.422 -12.430 -7.376 1.00 74.51 H new ATOM 484 N LEU A 388 -3.229 -7.932 -7.846 1.00 44.23 N ATOM 485 CA LEU A 388 -2.943 -6.519 -7.998 1.00 41.13 C ATOM 486 C LEU A 388 -3.898 -5.731 -7.125 1.00 4.02 C ATOM 487 O LEU A 388 -5.087 -5.742 -7.333 1.00 15.31 O ATOM 488 CB LEU A 388 -3.100 -6.107 -9.469 1.00 44.21 C ATOM 489 CG LEU A 388 -2.941 -4.612 -9.792 1.00 50.52 C ATOM 490 CD1 LEU A 388 -1.556 -4.096 -9.439 1.00 63.22 C ATOM 491 CD2 LEU A 388 -3.268 -4.345 -11.249 1.00 42.35 C ATOM 0 H LEU A 388 -3.733 -8.349 -8.629 1.00 44.23 H new ATOM 0 HA LEU A 388 -1.917 -6.313 -7.693 1.00 41.13 H new ATOM 0 HB2 LEU A 388 -2.368 -6.661 -10.057 1.00 44.21 H new ATOM 0 HB3 LEU A 388 -4.086 -6.424 -9.807 1.00 44.21 H new ATOM 0 HG LEU A 388 -3.651 -4.065 -9.171 1.00 50.52 H new ATOM 0 HD11 LEU A 388 -1.489 -3.036 -9.684 1.00 63.22 H new ATOM 0 HD12 LEU A 388 -1.377 -4.234 -8.373 1.00 63.22 H new ATOM 0 HD13 LEU A 388 -0.807 -4.648 -10.007 1.00 63.22 H new ATOM 0 HD21 LEU A 388 -3.150 -3.282 -11.459 1.00 42.35 H new ATOM 0 HD22 LEU A 388 -2.593 -4.918 -11.884 1.00 42.35 H new ATOM 0 HD23 LEU A 388 -4.297 -4.643 -11.452 1.00 42.35 H new ATOM 499 N LEU A 389 -3.375 -5.086 -6.136 1.00 71.13 N ATOM 500 CA LEU A 389 -4.157 -4.375 -5.221 1.00 4.22 C ATOM 501 C LEU A 389 -4.535 -3.042 -5.823 1.00 53.01 C ATOM 502 O LEU A 389 -5.699 -2.781 -6.068 1.00 12.44 O ATOM 503 CB LEU A 389 -3.316 -4.198 -4.001 1.00 23.15 C ATOM 504 CG LEU A 389 -4.006 -4.097 -2.685 1.00 21.44 C ATOM 505 CD1 LEU A 389 -4.997 -2.958 -2.620 1.00 42.11 C ATOM 506 CD2 LEU A 389 -4.631 -5.410 -2.305 1.00 1.34 C ATOM 0 H LEU A 389 -2.373 -5.047 -5.951 1.00 71.13 H new ATOM 0 HA LEU A 389 -5.081 -4.896 -4.972 1.00 4.22 H new ATOM 0 HB2 LEU A 389 -2.621 -5.036 -3.950 1.00 23.15 H new ATOM 0 HB3 LEU A 389 -2.719 -3.296 -4.135 1.00 23.15 H new ATOM 0 HG LEU A 389 -3.241 -3.861 -1.946 1.00 21.44 H new ATOM 0 HD11 LEU A 389 -5.465 -2.939 -1.636 1.00 42.11 H new ATOM 0 HD12 LEU A 389 -4.479 -2.015 -2.794 1.00 42.11 H new ATOM 0 HD13 LEU A 389 -5.762 -3.098 -3.383 1.00 42.11 H new ATOM 0 HD21 LEU A 389 -5.129 -5.310 -1.340 1.00 1.34 H new ATOM 0 HD22 LEU A 389 -5.361 -5.698 -3.062 1.00 1.34 H new ATOM 0 HD23 LEU A 389 -3.858 -6.175 -2.237 1.00 1.34 H new ATOM 514 N GLY A 390 -3.565 -2.218 -6.077 1.00 13.50 N ATOM 515 CA GLY A 390 -3.867 -0.943 -6.624 1.00 35.31 C ATOM 516 C GLY A 390 -2.681 -0.337 -7.281 1.00 62.34 C ATOM 517 O GLY A 390 -1.540 -0.707 -6.980 1.00 52.40 O ATOM 0 H GLY A 390 -2.575 -2.406 -5.916 1.00 13.50 H new ATOM 0 HA2 GLY A 390 -4.676 -1.039 -7.348 1.00 35.31 H new ATOM 0 HA3 GLY A 390 -4.224 -0.282 -5.834 1.00 35.31 H new ATOM 521 N ASN A 391 -2.934 0.556 -8.188 1.00 44.31 N ATOM 522 CA ASN A 391 -1.893 1.293 -8.880 1.00 11.42 C ATOM 523 C ASN A 391 -1.798 2.629 -8.215 1.00 22.55 C ATOM 524 O ASN A 391 -2.811 3.148 -7.744 1.00 53.02 O ATOM 525 CB ASN A 391 -2.240 1.495 -10.375 1.00 32.24 C ATOM 526 CG ASN A 391 -2.265 0.217 -11.226 1.00 54.22 C ATOM 527 OD1 ASN A 391 -2.589 -0.904 -10.641 1.00 74.33 O flip ATOM 528 ND2 ASN A 391 -1.999 0.258 -12.421 1.00 64.21 N flip ATOM 0 H ASN A 391 -3.879 0.805 -8.481 1.00 44.31 H new ATOM 0 HA ASN A 391 -0.954 0.741 -8.833 1.00 11.42 H new ATOM 0 HB2 ASN A 391 -3.217 1.974 -10.442 1.00 32.24 H new ATOM 0 HB3 ASN A 391 -1.516 2.185 -10.808 1.00 32.24 H new ATOM 0 HD21 ASN A 391 -1.748 1.145 -12.858 1.00 64.21 H new ATOM 0 HD22 ASN A 391 -2.028 -0.595 -12.980 1.00 64.21 H new ATOM 534 N PHE A 392 -0.628 3.187 -8.146 1.00 2.41 N ATOM 535 CA PHE A 392 -0.468 4.472 -7.493 1.00 11.13 C ATOM 536 C PHE A 392 -1.085 5.558 -8.338 1.00 5.22 C ATOM 537 O PHE A 392 -0.649 5.810 -9.468 1.00 54.40 O ATOM 538 CB PHE A 392 1.004 4.776 -7.203 1.00 51.23 C ATOM 539 CG PHE A 392 1.657 3.909 -6.145 1.00 21.14 C ATOM 540 CD1 PHE A 392 1.454 2.535 -6.100 1.00 62.42 C ATOM 541 CD2 PHE A 392 2.512 4.476 -5.226 1.00 62.41 C ATOM 542 CE1 PHE A 392 2.090 1.763 -5.160 1.00 51.44 C ATOM 543 CE2 PHE A 392 3.148 3.709 -4.276 1.00 73.12 C ATOM 544 CZ PHE A 392 2.940 2.351 -4.246 1.00 21.04 C ATOM 0 H PHE A 392 0.229 2.786 -8.527 1.00 2.41 H new ATOM 0 HA PHE A 392 -0.984 4.434 -6.534 1.00 11.13 H new ATOM 0 HB2 PHE A 392 1.567 4.672 -8.130 1.00 51.23 H new ATOM 0 HB3 PHE A 392 1.087 5.818 -6.895 1.00 51.23 H new ATOM 0 HD1 PHE A 392 0.789 2.070 -6.812 1.00 62.42 H new ATOM 0 HD2 PHE A 392 2.687 5.541 -5.251 1.00 62.41 H new ATOM 0 HE1 PHE A 392 1.925 0.696 -5.136 1.00 51.44 H new ATOM 0 HE2 PHE A 392 3.808 4.173 -3.557 1.00 73.12 H new ATOM 0 HZ PHE A 392 3.442 1.744 -3.507 1.00 21.04 H new ATOM 554 N ALA A 393 -2.106 6.182 -7.805 1.00 1.15 N ATOM 555 CA ALA A 393 -2.814 7.206 -8.519 1.00 3.31 C ATOM 556 C ALA A 393 -2.235 8.562 -8.205 1.00 42.32 C ATOM 557 O ALA A 393 -1.945 9.346 -9.113 1.00 13.05 O ATOM 558 CB ALA A 393 -4.298 7.161 -8.186 1.00 42.52 C ATOM 0 H ALA A 393 -2.465 5.993 -6.869 1.00 1.15 H new ATOM 0 HA ALA A 393 -2.701 7.025 -9.588 1.00 3.31 H new ATOM 0 HB1 ALA A 393 -4.818 7.945 -8.737 1.00 42.52 H new ATOM 0 HB2 ALA A 393 -4.705 6.189 -8.466 1.00 42.52 H new ATOM 0 HB3 ALA A 393 -4.436 7.317 -7.116 1.00 42.52 H new ATOM 564 N SER A 394 -2.032 8.816 -6.933 1.00 55.45 N ATOM 565 CA SER A 394 -1.507 10.065 -6.466 1.00 45.32 C ATOM 566 C SER A 394 -1.095 9.914 -5.026 1.00 35.15 C ATOM 567 O SER A 394 -1.750 9.195 -4.260 1.00 60.11 O ATOM 568 CB SER A 394 -2.558 11.185 -6.633 1.00 15.11 C ATOM 569 OG SER A 394 -3.800 10.838 -6.009 1.00 23.11 O ATOM 0 H SER A 394 -2.232 8.148 -6.189 1.00 55.45 H new ATOM 0 HA SER A 394 -0.634 10.344 -7.056 1.00 45.32 H new ATOM 0 HB2 SER A 394 -2.178 12.110 -6.199 1.00 15.11 H new ATOM 0 HB3 SER A 394 -2.723 11.375 -7.694 1.00 15.11 H new ATOM 0 HG SER A 394 -4.443 11.568 -6.131 1.00 23.11 H new ATOM 575 N GLN A 395 -0.008 10.517 -4.670 1.00 71.41 N ATOM 576 CA GLN A 395 0.470 10.472 -3.327 1.00 34.15 C ATOM 577 C GLN A 395 1.053 11.789 -2.942 1.00 22.12 C ATOM 578 O GLN A 395 1.628 12.483 -3.771 1.00 75.45 O ATOM 579 CB GLN A 395 1.498 9.355 -3.109 1.00 13.31 C ATOM 580 CG GLN A 395 2.748 9.375 -4.001 1.00 4.24 C ATOM 581 CD GLN A 395 2.479 9.121 -5.468 1.00 5.21 C ATOM 582 OE1 GLN A 395 2.237 10.041 -6.237 1.00 63.22 O ATOM 583 NE2 GLN A 395 2.539 7.879 -5.867 1.00 75.12 N ATOM 0 H GLN A 395 0.577 11.058 -5.307 1.00 71.41 H new ATOM 0 HA GLN A 395 -0.386 10.252 -2.689 1.00 34.15 H new ATOM 0 HB2 GLN A 395 1.823 9.392 -2.069 1.00 13.31 H new ATOM 0 HB3 GLN A 395 0.995 8.399 -3.252 1.00 13.31 H new ATOM 0 HG2 GLN A 395 3.237 10.344 -3.897 1.00 4.24 H new ATOM 0 HG3 GLN A 395 3.449 8.623 -3.638 1.00 4.24 H new ATOM 0 HE21 GLN A 395 2.743 7.137 -5.197 1.00 75.12 H new ATOM 0 HE22 GLN A 395 2.382 7.650 -6.849 1.00 75.12 H new ATOM 591 N GLU A 396 0.895 12.141 -1.716 1.00 42.45 N ATOM 592 CA GLU A 396 1.407 13.373 -1.239 1.00 42.33 C ATOM 593 C GLU A 396 2.227 13.111 -0.008 1.00 71.32 C ATOM 594 O GLU A 396 1.685 12.716 1.033 1.00 21.54 O ATOM 595 CB GLU A 396 0.259 14.317 -0.931 1.00 14.51 C ATOM 596 CG GLU A 396 0.673 15.700 -0.485 1.00 11.32 C ATOM 597 CD GLU A 396 -0.521 16.558 -0.223 1.00 44.42 C ATOM 598 OE1 GLU A 396 -1.116 17.075 -1.196 1.00 52.24 O ATOM 599 OE2 GLU A 396 -0.916 16.703 0.940 1.00 55.35 O ATOM 0 H GLU A 396 0.407 11.582 -1.016 1.00 42.45 H new ATOM 0 HA GLU A 396 2.038 13.839 -1.996 1.00 42.33 H new ATOM 0 HB2 GLU A 396 -0.364 14.410 -1.820 1.00 14.51 H new ATOM 0 HB3 GLU A 396 -0.360 13.871 -0.153 1.00 14.51 H new ATOM 0 HG2 GLU A 396 1.279 15.628 0.418 1.00 11.32 H new ATOM 0 HG3 GLU A 396 1.296 16.162 -1.251 1.00 11.32 H new ATOM 606 N GLY A 397 3.522 13.280 -0.141 1.00 31.42 N ATOM 607 CA GLY A 397 4.417 13.096 0.962 1.00 24.22 C ATOM 608 C GLY A 397 4.462 11.673 1.438 1.00 43.52 C ATOM 609 O GLY A 397 5.094 10.812 0.815 1.00 34.45 O ATOM 0 H GLY A 397 3.976 13.547 -1.014 1.00 31.42 H new ATOM 0 HA2 GLY A 397 5.419 13.409 0.668 1.00 24.22 H new ATOM 0 HA3 GLY A 397 4.110 13.741 1.785 1.00 24.22 H new ATOM 613 N ASN A 398 3.775 11.421 2.511 1.00 41.31 N ATOM 614 CA ASN A 398 3.777 10.128 3.137 1.00 20.23 C ATOM 615 C ASN A 398 2.413 9.447 3.046 1.00 53.32 C ATOM 616 O ASN A 398 2.210 8.382 3.624 1.00 64.34 O ATOM 617 CB ASN A 398 4.179 10.254 4.600 1.00 43.51 C ATOM 618 CG ASN A 398 3.196 11.068 5.453 1.00 61.02 C ATOM 619 OD1 ASN A 398 2.559 12.028 4.985 1.00 23.14 O ATOM 620 ND2 ASN A 398 3.036 10.662 6.681 1.00 53.20 N ATOM 0 H ASN A 398 3.191 12.111 2.983 1.00 41.31 H new ATOM 0 HA ASN A 398 4.500 9.512 2.603 1.00 20.23 H new ATOM 0 HB2 ASN A 398 4.273 9.256 5.027 1.00 43.51 H new ATOM 0 HB3 ASN A 398 5.163 10.719 4.656 1.00 43.51 H new ATOM 0 HD21 ASN A 398 2.371 11.136 7.292 1.00 53.20 H new ATOM 0 HD22 ASN A 398 3.576 9.871 7.031 1.00 53.20 H new ATOM 626 N VAL A 399 1.483 10.035 2.329 1.00 64.04 N ATOM 627 CA VAL A 399 0.169 9.436 2.211 1.00 72.42 C ATOM 628 C VAL A 399 0.005 8.985 0.796 1.00 55.15 C ATOM 629 O VAL A 399 0.004 9.808 -0.136 1.00 21.44 O ATOM 630 CB VAL A 399 -0.975 10.411 2.597 1.00 53.21 C ATOM 631 CG1 VAL A 399 -2.325 9.704 2.529 1.00 44.32 C ATOM 632 CG2 VAL A 399 -0.748 10.987 3.987 1.00 20.35 C ATOM 0 H VAL A 399 1.606 10.913 1.825 1.00 64.04 H new ATOM 0 HA VAL A 399 0.101 8.600 2.908 1.00 72.42 H new ATOM 0 HB VAL A 399 -0.977 11.234 1.882 1.00 53.21 H new ATOM 0 HG11 VAL A 399 -3.116 10.403 2.803 1.00 44.32 H new ATOM 0 HG12 VAL A 399 -2.496 9.342 1.515 1.00 44.32 H new ATOM 0 HG13 VAL A 399 -2.330 8.861 3.221 1.00 44.32 H new ATOM 0 HG21 VAL A 399 -1.562 11.668 4.236 1.00 20.35 H new ATOM 0 HG22 VAL A 399 -0.716 10.177 4.716 1.00 20.35 H new ATOM 0 HG23 VAL A 399 0.197 11.530 4.006 1.00 20.35 H new ATOM 638 N LEU A 400 -0.128 7.707 0.617 1.00 40.30 N ATOM 639 CA LEU A 400 -0.120 7.138 -0.688 1.00 41.24 C ATOM 640 C LEU A 400 -1.499 6.528 -1.009 1.00 52.13 C ATOM 641 O LEU A 400 -2.002 5.690 -0.258 1.00 15.00 O ATOM 642 CB LEU A 400 0.970 6.046 -0.750 1.00 60.21 C ATOM 643 CG LEU A 400 2.375 6.373 -0.141 1.00 74.31 C ATOM 644 CD1 LEU A 400 3.344 5.232 -0.353 1.00 1.23 C ATOM 645 CD2 LEU A 400 2.964 7.653 -0.679 1.00 4.11 C ATOM 0 H LEU A 400 -0.245 7.032 1.373 1.00 40.30 H new ATOM 0 HA LEU A 400 0.094 7.913 -1.424 1.00 41.24 H new ATOM 0 HB2 LEU A 400 0.585 5.161 -0.244 1.00 60.21 H new ATOM 0 HB3 LEU A 400 1.114 5.777 -1.797 1.00 60.21 H new ATOM 0 HG LEU A 400 2.213 6.512 0.928 1.00 74.31 H new ATOM 0 HD11 LEU A 400 4.310 5.490 0.081 1.00 1.23 H new ATOM 0 HD12 LEU A 400 2.958 4.333 0.128 1.00 1.23 H new ATOM 0 HD13 LEU A 400 3.463 5.049 -1.421 1.00 1.23 H new ATOM 0 HD21 LEU A 400 3.937 7.827 -0.220 1.00 4.11 H new ATOM 0 HD22 LEU A 400 3.081 7.574 -1.760 1.00 4.11 H new ATOM 0 HD23 LEU A 400 2.300 8.485 -0.446 1.00 4.11 H new ATOM 653 N LYS A 401 -2.106 6.964 -2.100 1.00 31.43 N ATOM 654 CA LYS A 401 -3.410 6.447 -2.535 1.00 21.20 C ATOM 655 C LYS A 401 -3.280 5.588 -3.766 1.00 13.32 C ATOM 656 O LYS A 401 -2.767 6.043 -4.812 1.00 61.11 O ATOM 657 CB LYS A 401 -4.396 7.590 -2.783 1.00 25.04 C ATOM 658 CG LYS A 401 -4.926 8.230 -1.510 1.00 53.22 C ATOM 659 CD LYS A 401 -5.955 7.331 -0.784 1.00 34.53 C ATOM 660 CE LYS A 401 -7.373 7.395 -1.411 1.00 31.35 C ATOM 661 NZ LYS A 401 -7.444 6.973 -2.832 1.00 52.44 N ATOM 0 H LYS A 401 -1.718 7.682 -2.712 1.00 31.43 H new ATOM 0 HA LYS A 401 -3.799 5.823 -1.730 1.00 21.20 H new ATOM 0 HB2 LYS A 401 -3.907 8.355 -3.387 1.00 25.04 H new ATOM 0 HB3 LYS A 401 -5.236 7.213 -3.366 1.00 25.04 H new ATOM 0 HG2 LYS A 401 -4.094 8.441 -0.838 1.00 53.22 H new ATOM 0 HG3 LYS A 401 -5.390 9.186 -1.753 1.00 53.22 H new ATOM 0 HD2 LYS A 401 -5.603 6.300 -0.802 1.00 34.53 H new ATOM 0 HD3 LYS A 401 -6.014 7.629 0.263 1.00 34.53 H new ATOM 0 HE2 LYS A 401 -8.043 6.765 -0.826 1.00 31.35 H new ATOM 0 HE3 LYS A 401 -7.745 8.416 -1.331 1.00 31.35 H new ATOM 0 HZ1 LYS A 401 -8.430 6.753 -3.080 1.00 52.44 H new ATOM 0 HZ2 LYS A 401 -7.097 7.742 -3.440 1.00 52.44 H new ATOM 0 HZ3 LYS A 401 -6.855 6.127 -2.973 1.00 52.44 H new ATOM 675 N TYR A 402 -3.727 4.355 -3.662 1.00 72.11 N ATOM 676 CA TYR A 402 -3.644 3.437 -4.791 1.00 34.23 C ATOM 677 C TYR A 402 -5.048 3.080 -5.220 1.00 2.51 C ATOM 678 O TYR A 402 -5.876 2.749 -4.383 1.00 5.44 O ATOM 679 CB TYR A 402 -2.891 2.150 -4.422 1.00 51.52 C ATOM 680 CG TYR A 402 -1.760 2.341 -3.461 1.00 55.24 C ATOM 681 CD1 TYR A 402 -0.768 3.249 -3.702 1.00 41.22 C ATOM 682 CD2 TYR A 402 -1.702 1.610 -2.290 1.00 33.20 C ATOM 683 CE1 TYR A 402 0.252 3.421 -2.815 1.00 3.30 C ATOM 684 CE2 TYR A 402 -0.675 1.780 -1.401 1.00 43.34 C ATOM 685 CZ TYR A 402 0.295 2.683 -1.672 1.00 61.52 C ATOM 686 OH TYR A 402 1.333 2.845 -0.800 1.00 22.33 O ATOM 0 H TYR A 402 -4.148 3.963 -2.820 1.00 72.11 H new ATOM 0 HA TYR A 402 -3.097 3.927 -5.597 1.00 34.23 H new ATOM 0 HB2 TYR A 402 -3.599 1.441 -3.992 1.00 51.52 H new ATOM 0 HB3 TYR A 402 -2.502 1.698 -5.335 1.00 51.52 H new ATOM 0 HD1 TYR A 402 -0.793 3.838 -4.607 1.00 41.22 H new ATOM 0 HD2 TYR A 402 -2.480 0.893 -2.072 1.00 33.20 H new ATOM 0 HE1 TYR A 402 1.028 4.144 -3.019 1.00 3.30 H new ATOM 0 HE2 TYR A 402 -0.640 1.198 -0.492 1.00 43.34 H new ATOM 0 HH TYR A 402 2.168 2.950 -1.302 1.00 22.33 H new ATOM 696 N GLU A 403 -5.303 3.121 -6.509 1.00 10.31 N ATOM 697 CA GLU A 403 -6.635 2.912 -7.055 1.00 21.50 C ATOM 698 C GLU A 403 -6.553 1.973 -8.259 1.00 11.05 C ATOM 699 O GLU A 403 -5.455 1.631 -8.712 1.00 62.14 O ATOM 700 CB GLU A 403 -7.191 4.256 -7.568 1.00 55.42 C ATOM 701 CG GLU A 403 -7.307 5.384 -6.539 1.00 44.14 C ATOM 702 CD GLU A 403 -8.376 5.153 -5.498 1.00 51.42 C ATOM 703 OE1 GLU A 403 -9.559 5.422 -5.790 1.00 42.34 O ATOM 704 OE2 GLU A 403 -8.061 4.756 -4.371 1.00 62.21 O ATOM 0 H GLU A 403 -4.591 3.301 -7.216 1.00 10.31 H new ATOM 0 HA GLU A 403 -7.272 2.493 -6.276 1.00 21.50 H new ATOM 0 HB2 GLU A 403 -6.553 4.601 -8.382 1.00 55.42 H new ATOM 0 HB3 GLU A 403 -8.179 4.077 -7.991 1.00 55.42 H new ATOM 0 HG2 GLU A 403 -6.346 5.507 -6.039 1.00 44.14 H new ATOM 0 HG3 GLU A 403 -7.517 6.318 -7.060 1.00 44.14 H new ATOM 711 N ASN A 404 -7.721 1.554 -8.744 1.00 31.31 N ATOM 712 CA ASN A 404 -7.886 0.818 -10.016 1.00 34.34 C ATOM 713 C ASN A 404 -7.032 -0.448 -10.128 1.00 22.13 C ATOM 714 O ASN A 404 -6.507 -0.753 -11.196 1.00 41.15 O ATOM 715 CB ASN A 404 -7.642 1.754 -11.220 1.00 63.40 C ATOM 716 CG ASN A 404 -8.651 2.899 -11.330 1.00 61.45 C ATOM 717 OD1 ASN A 404 -9.884 2.673 -10.910 1.00 4.04 O flip ATOM 718 ND2 ASN A 404 -8.317 3.984 -11.808 1.00 13.31 N flip ATOM 0 H ASN A 404 -8.604 1.716 -8.260 1.00 31.31 H new ATOM 0 HA ASN A 404 -8.920 0.472 -10.025 1.00 34.34 H new ATOM 0 HB2 ASN A 404 -6.639 2.173 -11.144 1.00 63.40 H new ATOM 0 HB3 ASN A 404 -7.673 1.166 -12.137 1.00 63.40 H new ATOM 0 HD21 ASN A 404 -7.358 4.129 -12.124 1.00 13.31 H new ATOM 0 HD22 ASN A 404 -9.000 4.738 -11.888 1.00 13.31 H new ATOM 724 N GLY A 405 -6.944 -1.198 -9.047 1.00 2.21 N ATOM 725 CA GLY A 405 -6.206 -2.463 -9.070 1.00 35.10 C ATOM 726 C GLY A 405 -6.988 -3.618 -9.724 1.00 23.13 C ATOM 727 O GLY A 405 -7.669 -3.425 -10.724 1.00 62.32 O ATOM 0 H GLY A 405 -7.366 -0.965 -8.148 1.00 2.21 H new ATOM 0 HA2 GLY A 405 -5.269 -2.318 -9.608 1.00 35.10 H new ATOM 0 HA3 GLY A 405 -5.947 -2.742 -8.049 1.00 35.10 H new ATOM 731 N GLN A 406 -6.886 -4.808 -9.142 1.00 60.51 N ATOM 732 CA GLN A 406 -7.541 -6.031 -9.656 1.00 44.54 C ATOM 733 C GLN A 406 -9.060 -5.888 -9.628 1.00 13.33 C ATOM 734 O GLN A 406 -9.604 -5.165 -8.786 1.00 52.04 O ATOM 735 CB GLN A 406 -7.141 -7.255 -8.796 1.00 72.21 C ATOM 736 CG GLN A 406 -7.666 -8.596 -9.299 1.00 42.23 C ATOM 737 CD GLN A 406 -7.074 -8.975 -10.633 1.00 65.03 C ATOM 738 OE1 GLN A 406 -7.604 -8.620 -11.688 1.00 21.53 O ATOM 739 NE2 GLN A 406 -5.993 -9.706 -10.607 1.00 44.20 N ATOM 0 H GLN A 406 -6.344 -4.964 -8.292 1.00 60.51 H new ATOM 0 HA GLN A 406 -7.212 -6.176 -10.685 1.00 44.54 H new ATOM 0 HB2 GLN A 406 -6.053 -7.304 -8.745 1.00 72.21 H new ATOM 0 HB3 GLN A 406 -7.502 -7.099 -7.779 1.00 72.21 H new ATOM 0 HG2 GLN A 406 -7.437 -9.371 -8.568 1.00 42.23 H new ATOM 0 HG3 GLN A 406 -8.752 -8.550 -9.385 1.00 42.23 H new ATOM 0 HE21 GLN A 406 -5.584 -9.980 -9.714 1.00 44.20 H new ATOM 0 HE22 GLN A 406 -5.557 -10.003 -11.480 1.00 44.20 H new ATOM 747 N SER A 407 -9.725 -6.554 -10.556 1.00 42.02 N ATOM 748 CA SER A 407 -11.159 -6.593 -10.608 1.00 74.11 C ATOM 749 C SER A 407 -11.696 -7.213 -9.315 1.00 72.34 C ATOM 750 O SER A 407 -11.383 -8.364 -8.978 1.00 13.20 O ATOM 751 CB SER A 407 -11.590 -7.408 -11.830 1.00 62.21 C ATOM 752 OG SER A 407 -10.984 -8.695 -11.812 1.00 22.05 O ATOM 0 H SER A 407 -9.271 -7.086 -11.299 1.00 42.02 H new ATOM 0 HA SER A 407 -11.565 -5.586 -10.699 1.00 74.11 H new ATOM 0 HB2 SER A 407 -12.675 -7.511 -11.841 1.00 62.21 H new ATOM 0 HB3 SER A 407 -11.311 -6.881 -12.742 1.00 62.21 H new ATOM 0 HG SER A 407 -10.869 -8.990 -10.884 1.00 22.05 H new ATOM 758 N CYS A 408 -12.458 -6.453 -8.600 1.00 13.32 N ATOM 759 CA CYS A 408 -12.971 -6.868 -7.327 1.00 72.23 C ATOM 760 C CYS A 408 -14.419 -7.319 -7.475 1.00 52.15 C ATOM 761 O CYS A 408 -15.071 -7.009 -8.477 1.00 70.42 O ATOM 762 CB CYS A 408 -12.821 -5.735 -6.315 1.00 52.22 C ATOM 763 SG CYS A 408 -13.387 -6.126 -4.635 1.00 13.25 S ATOM 0 H CYS A 408 -12.748 -5.516 -8.882 1.00 13.32 H new ATOM 0 HA CYS A 408 -12.400 -7.718 -6.955 1.00 72.23 H new ATOM 0 HB2 CYS A 408 -11.771 -5.445 -6.270 1.00 52.22 H new ATOM 0 HB3 CYS A 408 -13.376 -4.869 -6.677 1.00 52.22 H new ATOM 768 N TRP A 409 -14.901 -8.085 -6.526 1.00 62.34 N ATOM 769 CA TRP A 409 -16.253 -8.596 -6.586 1.00 32.24 C ATOM 770 C TRP A 409 -17.250 -7.510 -6.164 1.00 14.23 C ATOM 771 O TRP A 409 -18.375 -7.450 -6.654 1.00 50.23 O ATOM 772 CB TRP A 409 -16.397 -9.834 -5.653 1.00 60.51 C ATOM 773 CG TRP A 409 -16.843 -9.535 -4.251 1.00 71.21 C ATOM 774 CD1 TRP A 409 -16.086 -9.195 -3.195 1.00 42.10 C ATOM 775 CD2 TRP A 409 -18.187 -9.553 -3.794 1.00 64.43 C ATOM 776 NE1 TRP A 409 -16.877 -8.996 -2.090 1.00 71.35 N ATOM 777 CE2 TRP A 409 -18.176 -9.216 -2.439 1.00 51.23 C ATOM 778 CE3 TRP A 409 -19.393 -9.826 -4.415 1.00 31.43 C ATOM 779 CZ2 TRP A 409 -19.337 -9.141 -1.683 1.00 42.52 C ATOM 780 CZ3 TRP A 409 -20.545 -9.755 -3.677 1.00 73.22 C ATOM 781 CH2 TRP A 409 -20.514 -9.414 -2.318 1.00 24.12 C ATOM 0 H TRP A 409 -14.376 -8.370 -5.699 1.00 62.34 H new ATOM 0 HA TRP A 409 -16.468 -8.894 -7.612 1.00 32.24 H new ATOM 0 HB2 TRP A 409 -17.109 -10.526 -6.103 1.00 60.51 H new ATOM 0 HB3 TRP A 409 -15.437 -10.348 -5.609 1.00 60.51 H new ATOM 0 HD1 TRP A 409 -15.011 -9.093 -3.212 1.00 42.10 H new ATOM 0 HE1 TRP A 409 -16.547 -8.728 -1.163 1.00 71.35 H new ATOM 0 HE3 TRP A 409 -19.426 -10.090 -5.462 1.00 31.43 H new ATOM 0 HZ2 TRP A 409 -19.311 -8.878 -0.636 1.00 42.52 H new ATOM 0 HZ3 TRP A 409 -21.493 -9.965 -4.150 1.00 73.22 H new ATOM 0 HH2 TRP A 409 -21.439 -9.366 -1.763 1.00 24.12 H new ATOM 792 N ASN A 410 -16.816 -6.648 -5.270 1.00 15.11 N ATOM 793 CA ASN A 410 -17.706 -5.688 -4.646 1.00 13.53 C ATOM 794 C ASN A 410 -17.624 -4.345 -5.359 1.00 45.52 C ATOM 795 O ASN A 410 -18.454 -3.454 -5.166 1.00 35.24 O ATOM 796 CB ASN A 410 -17.290 -5.542 -3.181 1.00 54.25 C ATOM 797 CG ASN A 410 -18.302 -4.838 -2.328 1.00 22.52 C ATOM 798 OD1 ASN A 410 -18.292 -3.617 -2.187 1.00 12.43 O ATOM 799 ND2 ASN A 410 -19.158 -5.617 -1.721 1.00 45.53 N ATOM 0 H ASN A 410 -15.847 -6.591 -4.956 1.00 15.11 H new ATOM 0 HA ASN A 410 -18.737 -6.034 -4.711 1.00 13.53 H new ATOM 0 HB2 ASN A 410 -17.106 -6.533 -2.766 1.00 54.25 H new ATOM 0 HB3 ASN A 410 -16.348 -4.996 -3.134 1.00 54.25 H new ATOM 0 HD21 ASN A 410 -19.859 -5.217 -1.097 1.00 45.53 H new ATOM 0 HD22 ASN A 410 -19.125 -6.625 -1.871 1.00 45.53 H new ATOM 805 N GLY A 411 -16.642 -4.227 -6.203 1.00 20.34 N ATOM 806 CA GLY A 411 -16.392 -3.012 -6.914 1.00 41.04 C ATOM 807 C GLY A 411 -15.554 -3.306 -8.115 1.00 43.24 C ATOM 808 O GLY A 411 -14.908 -4.336 -8.144 1.00 55.33 O ATOM 0 H GLY A 411 -15.987 -4.979 -6.418 1.00 20.34 H new ATOM 0 HA2 GLY A 411 -17.334 -2.554 -7.217 1.00 41.04 H new ATOM 0 HA3 GLY A 411 -15.883 -2.297 -6.268 1.00 41.04 H new ATOM 812 N PRO A 412 -15.522 -2.429 -9.116 1.00 44.41 N ATOM 813 CA PRO A 412 -14.817 -2.698 -10.374 1.00 12.14 C ATOM 814 C PRO A 412 -13.323 -3.024 -10.196 1.00 43.23 C ATOM 815 O PRO A 412 -12.790 -3.903 -10.878 1.00 24.31 O ATOM 816 CB PRO A 412 -14.999 -1.416 -11.190 1.00 70.43 C ATOM 817 CG PRO A 412 -15.469 -0.381 -10.227 1.00 43.04 C ATOM 818 CD PRO A 412 -16.172 -1.110 -9.117 1.00 64.24 C ATOM 0 HA PRO A 412 -15.224 -3.586 -10.857 1.00 12.14 H new ATOM 0 HB2 PRO A 412 -14.062 -1.116 -11.659 1.00 70.43 H new ATOM 0 HB3 PRO A 412 -15.724 -1.562 -11.991 1.00 70.43 H new ATOM 0 HG2 PRO A 412 -14.630 0.197 -9.840 1.00 43.04 H new ATOM 0 HG3 PRO A 412 -16.143 0.324 -10.715 1.00 43.04 H new ATOM 0 HD2 PRO A 412 -16.051 -0.601 -8.161 1.00 64.24 H new ATOM 0 HD3 PRO A 412 -17.243 -1.189 -9.302 1.00 64.24 H new ATOM 826 N HIS A 413 -12.659 -2.343 -9.284 1.00 13.10 N ATOM 827 CA HIS A 413 -11.231 -2.561 -9.047 1.00 45.34 C ATOM 828 C HIS A 413 -10.915 -2.387 -7.560 1.00 34.35 C ATOM 829 O HIS A 413 -11.695 -1.777 -6.840 1.00 4.24 O ATOM 830 CB HIS A 413 -10.372 -1.562 -9.863 1.00 4.00 C ATOM 831 CG HIS A 413 -10.486 -1.668 -11.368 1.00 3.20 C ATOM 832 ND1 HIS A 413 -9.738 -2.535 -12.121 1.00 63.15 N ATOM 833 CD2 HIS A 413 -11.272 -1.003 -12.252 1.00 20.41 C ATOM 834 CE1 HIS A 413 -10.050 -2.408 -13.385 1.00 15.21 C ATOM 835 NE2 HIS A 413 -10.976 -1.488 -13.495 1.00 4.43 N ATOM 0 H HIS A 413 -13.080 -1.630 -8.689 1.00 13.10 H new ATOM 0 HA HIS A 413 -10.991 -3.576 -9.364 1.00 45.34 H new ATOM 0 HB2 HIS A 413 -10.648 -0.550 -9.568 1.00 4.00 H new ATOM 0 HB3 HIS A 413 -9.327 -1.701 -9.586 1.00 4.00 H new ATOM 0 HD1 HIS A 413 -9.042 -3.183 -11.751 1.00 63.15 H new ATOM 0 HD2 HIS A 413 -11.995 -0.236 -12.018 1.00 20.41 H new ATOM 0 HE1 HIS A 413 -9.617 -2.968 -14.201 1.00 15.21 H new ATOM 844 N ARG A 414 -9.805 -2.950 -7.101 1.00 10.35 N ATOM 845 CA ARG A 414 -9.352 -2.748 -5.721 1.00 31.14 C ATOM 846 C ARG A 414 -8.628 -1.435 -5.576 1.00 73.43 C ATOM 847 O ARG A 414 -8.260 -0.793 -6.575 1.00 3.41 O ATOM 848 CB ARG A 414 -8.429 -3.873 -5.222 1.00 40.30 C ATOM 849 CG ARG A 414 -9.099 -5.188 -4.935 1.00 74.32 C ATOM 850 CD ARG A 414 -8.084 -6.231 -4.487 1.00 1.32 C ATOM 851 NE ARG A 414 -8.699 -7.540 -4.291 1.00 30.20 N ATOM 852 CZ ARG A 414 -8.191 -8.557 -3.571 1.00 52.20 C ATOM 853 NH1 ARG A 414 -7.064 -8.403 -2.866 1.00 42.32 N ATOM 854 NH2 ARG A 414 -8.822 -9.720 -3.556 1.00 21.12 N ATOM 0 H ARG A 414 -9.199 -3.551 -7.660 1.00 10.35 H new ATOM 0 HA ARG A 414 -10.256 -2.751 -5.112 1.00 31.14 H new ATOM 0 HB2 ARG A 414 -7.652 -4.038 -5.968 1.00 40.30 H new ATOM 0 HB3 ARG A 414 -7.932 -3.534 -4.313 1.00 40.30 H new ATOM 0 HG2 ARG A 414 -9.854 -5.054 -4.161 1.00 74.32 H new ATOM 0 HG3 ARG A 414 -9.617 -5.539 -5.828 1.00 74.32 H new ATOM 0 HD2 ARG A 414 -7.292 -6.310 -5.232 1.00 1.32 H new ATOM 0 HD3 ARG A 414 -7.616 -5.907 -3.557 1.00 1.32 H new ATOM 0 HE ARG A 414 -9.600 -7.699 -4.743 1.00 30.20 H new ATOM 0 HH11 ARG A 414 -6.579 -7.506 -2.870 1.00 42.32 H new ATOM 0 HH12 ARG A 414 -6.690 -9.183 -2.325 1.00 42.32 H new ATOM 0 HH21 ARG A 414 -9.685 -9.839 -4.087 1.00 21.12 H new ATOM 0 HH22 ARG A 414 -8.446 -10.497 -3.014 1.00 21.12 H new ATOM 866 N SER A 415 -8.413 -1.050 -4.347 1.00 41.24 N ATOM 867 CA SER A 415 -7.724 0.157 -4.023 1.00 65.13 C ATOM 868 C SER A 415 -7.275 0.099 -2.564 1.00 65.54 C ATOM 869 O SER A 415 -7.816 -0.696 -1.782 1.00 31.53 O ATOM 870 CB SER A 415 -8.639 1.366 -4.286 1.00 31.44 C ATOM 871 OG SER A 415 -9.874 1.244 -3.574 1.00 22.35 O ATOM 0 H SER A 415 -8.720 -1.581 -3.532 1.00 41.24 H new ATOM 0 HA SER A 415 -6.840 0.268 -4.651 1.00 65.13 H new ATOM 0 HB2 SER A 415 -8.131 2.282 -3.985 1.00 31.44 H new ATOM 0 HB3 SER A 415 -8.839 1.449 -5.354 1.00 31.44 H new ATOM 0 HG SER A 415 -10.436 2.026 -3.757 1.00 22.35 H new ATOM 877 N ALA A 416 -6.306 0.909 -2.201 1.00 31.02 N ATOM 878 CA ALA A 416 -5.801 0.921 -0.844 1.00 33.02 C ATOM 879 C ALA A 416 -5.140 2.222 -0.521 1.00 50.42 C ATOM 880 O ALA A 416 -4.401 2.780 -1.331 1.00 44.11 O ATOM 881 CB ALA A 416 -4.828 -0.219 -0.603 1.00 64.44 C ATOM 0 H ALA A 416 -5.849 1.571 -2.828 1.00 31.02 H new ATOM 0 HA ALA A 416 -6.660 0.791 -0.186 1.00 33.02 H new ATOM 0 HB1 ALA A 416 -4.469 -0.180 0.425 1.00 64.44 H new ATOM 0 HB2 ALA A 416 -5.332 -1.170 -0.775 1.00 64.44 H new ATOM 0 HB3 ALA A 416 -3.984 -0.127 -1.286 1.00 64.44 H new ATOM 887 N ILE A 417 -5.426 2.712 0.638 1.00 52.02 N ATOM 888 CA ILE A 417 -4.805 3.893 1.131 1.00 14.40 C ATOM 889 C ILE A 417 -3.703 3.538 2.138 1.00 72.15 C ATOM 890 O ILE A 417 -3.946 2.858 3.148 1.00 33.34 O ATOM 891 CB ILE A 417 -5.825 4.889 1.763 1.00 10.31 C ATOM 892 CG1 ILE A 417 -5.084 6.125 2.288 1.00 45.23 C ATOM 893 CG2 ILE A 417 -6.677 4.227 2.853 1.00 61.24 C ATOM 894 CD1 ILE A 417 -5.973 7.171 2.938 1.00 1.52 C ATOM 0 H ILE A 417 -6.106 2.298 1.276 1.00 52.02 H new ATOM 0 HA ILE A 417 -4.359 4.399 0.275 1.00 14.40 H new ATOM 0 HB ILE A 417 -6.522 5.206 0.987 1.00 10.31 H new ATOM 0 HG12 ILE A 417 -4.336 5.803 3.013 1.00 45.23 H new ATOM 0 HG13 ILE A 417 -4.547 6.588 1.460 1.00 45.23 H new ATOM 0 HG21 ILE A 417 -7.373 4.958 3.265 1.00 61.24 H new ATOM 0 HG22 ILE A 417 -7.236 3.396 2.423 1.00 61.24 H new ATOM 0 HG23 ILE A 417 -6.028 3.856 3.647 1.00 61.24 H new ATOM 0 HD11 ILE A 417 -5.362 8.007 3.278 1.00 1.52 H new ATOM 0 HD12 ILE A 417 -6.705 7.528 2.213 1.00 1.52 H new ATOM 0 HD13 ILE A 417 -6.491 6.730 3.790 1.00 1.52 H new ATOM 901 N VAL A 418 -2.516 3.968 1.845 1.00 11.30 N ATOM 902 CA VAL A 418 -1.381 3.743 2.696 1.00 43.44 C ATOM 903 C VAL A 418 -0.932 5.016 3.380 1.00 72.54 C ATOM 904 O VAL A 418 -0.762 6.062 2.748 1.00 3.12 O ATOM 905 CB VAL A 418 -0.194 3.078 1.926 1.00 71.44 C ATOM 906 CG1 VAL A 418 1.125 3.330 2.600 1.00 30.21 C ATOM 907 CG2 VAL A 418 -0.387 1.592 1.871 1.00 25.32 C ATOM 0 H VAL A 418 -2.301 4.493 0.997 1.00 11.30 H new ATOM 0 HA VAL A 418 -1.705 3.045 3.468 1.00 43.44 H new ATOM 0 HB VAL A 418 -0.183 3.517 0.928 1.00 71.44 H new ATOM 0 HG11 VAL A 418 1.922 2.850 2.031 1.00 30.21 H new ATOM 0 HG12 VAL A 418 1.310 4.403 2.649 1.00 30.21 H new ATOM 0 HG13 VAL A 418 1.102 2.920 3.610 1.00 30.21 H new ATOM 0 HG21 VAL A 418 0.444 1.137 1.333 1.00 25.32 H new ATOM 0 HG22 VAL A 418 -0.426 1.192 2.884 1.00 25.32 H new ATOM 0 HG23 VAL A 418 -1.320 1.365 1.356 1.00 25.32 H new ATOM 913 N THR A 419 -0.776 4.927 4.664 1.00 13.24 N ATOM 914 CA THR A 419 -0.221 5.981 5.428 1.00 33.24 C ATOM 915 C THR A 419 1.152 5.566 5.911 1.00 52.21 C ATOM 916 O THR A 419 1.292 4.603 6.684 1.00 11.12 O ATOM 917 CB THR A 419 -1.131 6.375 6.606 1.00 1.31 C ATOM 918 OG1 THR A 419 -1.602 5.195 7.294 1.00 51.43 O ATOM 919 CG2 THR A 419 -2.303 7.222 6.139 1.00 75.34 C ATOM 0 H THR A 419 -1.036 4.106 5.211 1.00 13.24 H new ATOM 0 HA THR A 419 -0.133 6.866 4.797 1.00 33.24 H new ATOM 0 HB THR A 419 -0.542 6.975 7.300 1.00 1.31 H new ATOM 0 HG1 THR A 419 -0.867 4.553 7.382 1.00 51.43 H new ATOM 0 HG21 THR A 419 -2.926 7.484 6.994 1.00 75.34 H new ATOM 0 HG22 THR A 419 -1.930 8.132 5.670 1.00 75.34 H new ATOM 0 HG23 THR A 419 -2.895 6.658 5.418 1.00 75.34 H new ATOM 925 N VAL A 420 2.158 6.255 5.440 1.00 62.05 N ATOM 926 CA VAL A 420 3.515 5.939 5.788 1.00 11.44 C ATOM 927 C VAL A 420 3.956 6.907 6.858 1.00 32.44 C ATOM 928 O VAL A 420 4.035 8.092 6.626 1.00 30.02 O ATOM 929 CB VAL A 420 4.462 6.078 4.566 1.00 4.02 C ATOM 930 CG1 VAL A 420 5.855 5.608 4.906 1.00 13.22 C ATOM 931 CG2 VAL A 420 3.930 5.331 3.361 1.00 3.01 C ATOM 0 H VAL A 420 2.059 7.048 4.806 1.00 62.05 H new ATOM 0 HA VAL A 420 3.561 4.907 6.136 1.00 11.44 H new ATOM 0 HB VAL A 420 4.507 7.136 4.309 1.00 4.02 H new ATOM 0 HG11 VAL A 420 6.499 5.716 4.033 1.00 13.22 H new ATOM 0 HG12 VAL A 420 6.251 6.208 5.725 1.00 13.22 H new ATOM 0 HG13 VAL A 420 5.823 4.560 5.206 1.00 13.22 H new ATOM 0 HG21 VAL A 420 4.619 5.451 2.525 1.00 3.01 H new ATOM 0 HG22 VAL A 420 3.833 4.272 3.603 1.00 3.01 H new ATOM 0 HG23 VAL A 420 2.954 5.731 3.087 1.00 3.01 H new ATOM 937 N GLU A 421 4.205 6.418 8.023 1.00 42.20 N ATOM 938 CA GLU A 421 4.575 7.286 9.111 1.00 30.43 C ATOM 939 C GLU A 421 6.005 7.024 9.551 1.00 4.13 C ATOM 940 O GLU A 421 6.701 6.222 8.943 1.00 51.33 O ATOM 941 CB GLU A 421 3.608 7.110 10.258 1.00 74.52 C ATOM 942 CG GLU A 421 2.168 7.384 9.882 1.00 43.55 C ATOM 943 CD GLU A 421 1.233 7.154 11.020 1.00 4.13 C ATOM 944 OE1 GLU A 421 0.899 5.987 11.285 1.00 11.04 O ATOM 945 OE2 GLU A 421 0.819 8.119 11.666 1.00 64.24 O ATOM 0 H GLU A 421 4.162 5.426 8.257 1.00 42.20 H new ATOM 0 HA GLU A 421 4.524 8.320 8.771 1.00 30.43 H new ATOM 0 HB2 GLU A 421 3.688 6.091 10.637 1.00 74.52 H new ATOM 0 HB3 GLU A 421 3.896 7.777 11.071 1.00 74.52 H new ATOM 0 HG2 GLU A 421 2.074 8.415 9.540 1.00 43.55 H new ATOM 0 HG3 GLU A 421 1.885 6.744 9.047 1.00 43.55 H new ATOM 952 N CYS A 422 6.421 7.700 10.592 1.00 43.33 N ATOM 953 CA CYS A 422 7.774 7.601 11.121 1.00 23.14 C ATOM 954 C CYS A 422 8.114 6.173 11.513 1.00 63.35 C ATOM 955 O CYS A 422 7.349 5.509 12.212 1.00 4.50 O ATOM 956 CB CYS A 422 7.916 8.524 12.339 1.00 64.34 C ATOM 957 SG CYS A 422 9.536 8.455 13.203 1.00 35.51 S ATOM 0 H CYS A 422 5.826 8.347 11.110 1.00 43.33 H new ATOM 0 HA CYS A 422 8.470 7.908 10.340 1.00 23.14 H new ATOM 0 HB2 CYS A 422 7.740 9.550 12.017 1.00 64.34 H new ATOM 0 HB3 CYS A 422 7.132 8.275 13.054 1.00 64.34 H new ATOM 962 N GLY A 423 9.238 5.705 11.040 1.00 73.22 N ATOM 963 CA GLY A 423 9.700 4.389 11.373 1.00 13.13 C ATOM 964 C GLY A 423 11.169 4.277 11.128 1.00 30.23 C ATOM 965 O GLY A 423 11.803 5.261 10.739 1.00 64.32 O ATOM 0 H GLY A 423 9.855 6.225 10.416 1.00 73.22 H new ATOM 0 HA2 GLY A 423 9.482 4.174 12.419 1.00 13.13 H new ATOM 0 HA3 GLY A 423 9.168 3.648 10.777 1.00 13.13 H new ATOM 969 N VAL A 424 11.712 3.115 11.347 1.00 20.32 N ATOM 970 CA VAL A 424 13.120 2.881 11.113 1.00 0.41 C ATOM 971 C VAL A 424 13.311 2.377 9.687 1.00 40.30 C ATOM 972 O VAL A 424 14.277 2.726 9.005 1.00 62.15 O ATOM 973 CB VAL A 424 13.701 1.845 12.121 1.00 43.43 C ATOM 974 CG1 VAL A 424 15.194 1.624 11.895 1.00 72.01 C ATOM 975 CG2 VAL A 424 13.440 2.286 13.554 1.00 31.12 C ATOM 0 H VAL A 424 11.201 2.302 11.691 1.00 20.32 H new ATOM 0 HA VAL A 424 13.655 3.820 11.256 1.00 0.41 H new ATOM 0 HB VAL A 424 13.193 0.896 11.949 1.00 43.43 H new ATOM 0 HG11 VAL A 424 15.567 0.896 12.615 1.00 72.01 H new ATOM 0 HG12 VAL A 424 15.358 1.251 10.884 1.00 72.01 H new ATOM 0 HG13 VAL A 424 15.725 2.567 12.024 1.00 72.01 H new ATOM 0 HG21 VAL A 424 13.853 1.549 14.243 1.00 31.12 H new ATOM 0 HG22 VAL A 424 13.913 3.252 13.729 1.00 31.12 H new ATOM 0 HG23 VAL A 424 12.366 2.373 13.718 1.00 31.12 H new ATOM 981 N GLU A 425 12.361 1.600 9.222 1.00 41.51 N ATOM 982 CA GLU A 425 12.424 1.026 7.907 1.00 3.34 C ATOM 983 C GLU A 425 11.057 1.032 7.295 1.00 23.23 C ATOM 984 O GLU A 425 10.046 0.977 7.996 1.00 13.03 O ATOM 985 CB GLU A 425 12.983 -0.411 7.974 1.00 61.35 C ATOM 986 CG GLU A 425 13.187 -1.070 6.611 1.00 3.44 C ATOM 987 CD GLU A 425 13.752 -2.468 6.704 1.00 51.33 C ATOM 988 OE1 GLU A 425 14.985 -2.613 6.797 1.00 52.33 O ATOM 989 OE2 GLU A 425 12.965 -3.445 6.681 1.00 71.44 O ATOM 0 H GLU A 425 11.524 1.350 9.749 1.00 41.51 H new ATOM 0 HA GLU A 425 13.094 1.621 7.286 1.00 3.34 H new ATOM 0 HB2 GLU A 425 13.936 -0.393 8.502 1.00 61.35 H new ATOM 0 HB3 GLU A 425 12.303 -1.026 8.564 1.00 61.35 H new ATOM 0 HG2 GLU A 425 12.233 -1.105 6.085 1.00 3.44 H new ATOM 0 HG3 GLU A 425 13.858 -0.453 6.013 1.00 3.44 H new ATOM 996 N ASN A 426 11.039 1.157 6.001 1.00 20.21 N ATOM 997 CA ASN A 426 9.842 1.076 5.220 1.00 22.20 C ATOM 998 C ASN A 426 9.291 -0.339 5.260 1.00 11.12 C ATOM 999 O ASN A 426 9.791 -1.237 4.598 1.00 43.33 O ATOM 1000 CB ASN A 426 10.099 1.588 3.789 1.00 50.24 C ATOM 1001 CG ASN A 426 11.436 1.125 3.235 1.00 21.40 C ATOM 1002 OD1 ASN A 426 12.446 1.817 3.395 1.00 53.43 O ATOM 1003 ND2 ASN A 426 11.470 -0.022 2.647 1.00 33.14 N ATOM 0 H ASN A 426 11.879 1.322 5.446 1.00 20.21 H new ATOM 0 HA ASN A 426 9.077 1.725 5.646 1.00 22.20 H new ATOM 0 HB2 ASN A 426 9.299 1.242 3.134 1.00 50.24 H new ATOM 0 HB3 ASN A 426 10.066 2.677 3.785 1.00 50.24 H new ATOM 0 HD21 ASN A 426 12.354 -0.388 2.294 1.00 33.14 H new ATOM 0 HD22 ASN A 426 10.613 -0.563 2.535 1.00 33.14 H new ATOM 1009 N GLU A 427 8.311 -0.532 6.109 1.00 11.00 N ATOM 1010 CA GLU A 427 7.721 -1.831 6.346 1.00 0.34 C ATOM 1011 C GLU A 427 6.196 -1.742 6.307 1.00 32.11 C ATOM 1012 O GLU A 427 5.626 -0.682 6.634 1.00 42.53 O ATOM 1013 CB GLU A 427 8.177 -2.350 7.713 1.00 20.13 C ATOM 1014 CG GLU A 427 7.743 -3.768 8.013 1.00 22.43 C ATOM 1015 CD GLU A 427 8.346 -4.751 7.046 1.00 32.42 C ATOM 1016 OE1 GLU A 427 7.813 -4.915 5.934 1.00 62.14 O ATOM 1017 OE2 GLU A 427 9.385 -5.370 7.386 1.00 2.44 O ATOM 0 H GLU A 427 7.894 0.217 6.663 1.00 11.00 H new ATOM 0 HA GLU A 427 8.046 -2.518 5.564 1.00 0.34 H new ATOM 0 HB2 GLU A 427 9.264 -2.296 7.766 1.00 20.13 H new ATOM 0 HB3 GLU A 427 7.787 -1.691 8.488 1.00 20.13 H new ATOM 0 HG2 GLU A 427 8.036 -4.031 9.029 1.00 22.43 H new ATOM 0 HG3 GLU A 427 6.656 -3.833 7.968 1.00 22.43 H new ATOM 1024 N ILE A 428 5.539 -2.828 5.895 1.00 73.12 N ATOM 1025 CA ILE A 428 4.090 -2.887 5.902 1.00 74.31 C ATOM 1026 C ILE A 428 3.693 -3.222 7.317 1.00 54.32 C ATOM 1027 O ILE A 428 4.099 -4.255 7.850 1.00 23.35 O ATOM 1028 CB ILE A 428 3.545 -4.034 5.011 1.00 61.34 C ATOM 1029 CG1 ILE A 428 4.190 -4.028 3.621 1.00 42.11 C ATOM 1030 CG2 ILE A 428 2.022 -3.915 4.896 1.00 22.23 C ATOM 1031 CD1 ILE A 428 3.913 -2.784 2.825 1.00 62.11 C ATOM 0 H ILE A 428 5.994 -3.675 5.554 1.00 73.12 H new ATOM 0 HA ILE A 428 3.695 -1.941 5.533 1.00 74.31 H new ATOM 0 HB ILE A 428 3.801 -4.983 5.482 1.00 61.34 H new ATOM 0 HG12 ILE A 428 5.268 -4.144 3.731 1.00 42.11 H new ATOM 0 HG13 ILE A 428 3.832 -4.892 3.062 1.00 42.11 H new ATOM 0 HG21 ILE A 428 1.640 -4.721 4.270 1.00 22.23 H new ATOM 0 HG22 ILE A 428 1.576 -3.984 5.888 1.00 22.23 H new ATOM 0 HG23 ILE A 428 1.765 -2.955 4.448 1.00 22.23 H new ATOM 0 HD11 ILE A 428 4.403 -2.856 1.854 1.00 62.11 H new ATOM 0 HD12 ILE A 428 2.838 -2.676 2.681 1.00 62.11 H new ATOM 0 HD13 ILE A 428 4.296 -1.916 3.361 1.00 62.11 H new ATOM 1038 N VAL A 429 2.943 -2.380 7.915 1.00 74.14 N ATOM 1039 CA VAL A 429 2.537 -2.575 9.277 1.00 1.45 C ATOM 1040 C VAL A 429 1.282 -3.420 9.376 1.00 45.03 C ATOM 1041 O VAL A 429 1.255 -4.411 10.100 1.00 63.23 O ATOM 1042 CB VAL A 429 2.334 -1.219 9.992 1.00 34.44 C ATOM 1043 CG1 VAL A 429 1.644 -1.392 11.334 1.00 34.11 C ATOM 1044 CG2 VAL A 429 3.667 -0.519 10.174 1.00 25.24 C ATOM 0 H VAL A 429 2.584 -1.528 7.484 1.00 74.14 H new ATOM 0 HA VAL A 429 3.340 -3.116 9.778 1.00 1.45 H new ATOM 0 HB VAL A 429 1.689 -0.605 9.364 1.00 34.44 H new ATOM 0 HG11 VAL A 429 1.519 -0.418 11.807 1.00 34.11 H new ATOM 0 HG12 VAL A 429 0.667 -1.851 11.184 1.00 34.11 H new ATOM 0 HG13 VAL A 429 2.251 -2.031 11.975 1.00 34.11 H new ATOM 0 HG21 VAL A 429 3.511 0.435 10.678 1.00 25.24 H new ATOM 0 HG22 VAL A 429 4.327 -1.144 10.775 1.00 25.24 H new ATOM 0 HG23 VAL A 429 4.122 -0.344 9.199 1.00 25.24 H new ATOM 1050 N SER A 430 0.276 -3.058 8.634 1.00 34.32 N ATOM 1051 CA SER A 430 -0.994 -3.715 8.730 1.00 60.35 C ATOM 1052 C SER A 430 -1.847 -3.374 7.538 1.00 42.55 C ATOM 1053 O SER A 430 -1.550 -2.422 6.811 1.00 31.32 O ATOM 1054 CB SER A 430 -1.689 -3.269 10.023 1.00 2.52 C ATOM 1055 OG SER A 430 -1.767 -1.851 10.089 1.00 72.20 O ATOM 0 H SER A 430 0.312 -2.303 7.949 1.00 34.32 H new ATOM 0 HA SER A 430 -0.846 -4.795 8.748 1.00 60.35 H new ATOM 0 HB2 SER A 430 -2.691 -3.696 10.069 1.00 2.52 H new ATOM 0 HB3 SER A 430 -1.141 -3.648 10.886 1.00 2.52 H new ATOM 0 HG SER A 430 -2.215 -1.586 10.920 1.00 72.20 H new ATOM 1061 N VAL A 431 -2.880 -4.147 7.332 1.00 65.13 N ATOM 1062 CA VAL A 431 -3.813 -3.929 6.272 1.00 14.43 C ATOM 1063 C VAL A 431 -5.210 -4.249 6.756 1.00 41.33 C ATOM 1064 O VAL A 431 -5.512 -5.383 7.151 1.00 50.53 O ATOM 1065 CB VAL A 431 -3.456 -4.732 4.982 1.00 35.12 C ATOM 1066 CG1 VAL A 431 -3.244 -6.193 5.278 1.00 30.04 C ATOM 1067 CG2 VAL A 431 -4.538 -4.571 3.930 1.00 33.41 C ATOM 0 H VAL A 431 -3.096 -4.959 7.910 1.00 65.13 H new ATOM 0 HA VAL A 431 -3.763 -2.877 5.990 1.00 14.43 H new ATOM 0 HB VAL A 431 -2.521 -4.324 4.597 1.00 35.12 H new ATOM 0 HG11 VAL A 431 -2.997 -6.719 4.356 1.00 30.04 H new ATOM 0 HG12 VAL A 431 -2.426 -6.305 5.990 1.00 30.04 H new ATOM 0 HG13 VAL A 431 -4.155 -6.614 5.703 1.00 30.04 H new ATOM 0 HG21 VAL A 431 -4.268 -5.139 3.040 1.00 33.41 H new ATOM 0 HG22 VAL A 431 -5.485 -4.941 4.323 1.00 33.41 H new ATOM 0 HG23 VAL A 431 -4.639 -3.517 3.671 1.00 33.41 H new ATOM 1073 N LEU A 432 -6.039 -3.285 6.771 1.00 45.30 N ATOM 1074 CA LEU A 432 -7.355 -3.500 7.226 1.00 62.22 C ATOM 1075 C LEU A 432 -8.271 -3.304 6.065 1.00 63.45 C ATOM 1076 O LEU A 432 -8.113 -2.350 5.301 1.00 2.13 O ATOM 1077 CB LEU A 432 -7.700 -2.536 8.358 1.00 34.42 C ATOM 1078 CG LEU A 432 -8.963 -2.854 9.152 1.00 3.10 C ATOM 1079 CD1 LEU A 432 -8.812 -4.201 9.850 1.00 24.54 C ATOM 1080 CD2 LEU A 432 -9.242 -1.756 10.166 1.00 5.23 C ATOM 0 H LEU A 432 -5.831 -2.332 6.472 1.00 45.30 H new ATOM 0 HA LEU A 432 -7.459 -4.510 7.623 1.00 62.22 H new ATOM 0 HB2 LEU A 432 -6.859 -2.505 9.050 1.00 34.42 H new ATOM 0 HB3 LEU A 432 -7.803 -1.536 7.937 1.00 34.42 H new ATOM 0 HG LEU A 432 -9.808 -2.908 8.465 1.00 3.10 H new ATOM 0 HD11 LEU A 432 -9.718 -4.422 10.415 1.00 24.54 H new ATOM 0 HD12 LEU A 432 -8.650 -4.980 9.105 1.00 24.54 H new ATOM 0 HD13 LEU A 432 -7.960 -4.165 10.529 1.00 24.54 H new ATOM 0 HD21 LEU A 432 -10.146 -1.998 10.724 1.00 5.23 H new ATOM 0 HD22 LEU A 432 -8.401 -1.675 10.855 1.00 5.23 H new ATOM 0 HD23 LEU A 432 -9.379 -0.807 9.647 1.00 5.23 H new ATOM 1088 N GLU A 433 -9.200 -4.182 5.906 1.00 61.33 N ATOM 1089 CA GLU A 433 -10.114 -4.086 4.821 1.00 51.32 C ATOM 1090 C GLU A 433 -11.178 -3.096 5.233 1.00 31.44 C ATOM 1091 O GLU A 433 -11.935 -3.338 6.182 1.00 30.13 O ATOM 1092 CB GLU A 433 -10.691 -5.469 4.530 1.00 74.32 C ATOM 1093 CG GLU A 433 -11.550 -5.572 3.293 1.00 42.02 C ATOM 1094 CD GLU A 433 -12.034 -6.986 3.071 1.00 14.30 C ATOM 1095 OE1 GLU A 433 -11.277 -7.815 2.510 1.00 61.04 O ATOM 1096 OE2 GLU A 433 -13.174 -7.298 3.462 1.00 0.10 O ATOM 0 H GLU A 433 -9.347 -4.983 6.521 1.00 61.33 H new ATOM 0 HA GLU A 433 -9.637 -3.741 3.904 1.00 51.32 H new ATOM 0 HB2 GLU A 433 -9.866 -6.175 4.437 1.00 74.32 H new ATOM 0 HB3 GLU A 433 -11.284 -5.783 5.389 1.00 74.32 H new ATOM 0 HG2 GLU A 433 -12.406 -4.904 3.387 1.00 42.02 H new ATOM 0 HG3 GLU A 433 -10.980 -5.241 2.425 1.00 42.02 H new ATOM 1103 N ALA A 434 -11.209 -1.967 4.555 1.00 62.02 N ATOM 1104 CA ALA A 434 -12.072 -0.881 4.932 1.00 22.34 C ATOM 1105 C ALA A 434 -13.472 -1.228 4.563 1.00 10.14 C ATOM 1106 O ALA A 434 -14.350 -1.334 5.419 1.00 0.32 O ATOM 1107 CB ALA A 434 -11.629 0.413 4.264 1.00 14.23 C ATOM 0 H ALA A 434 -10.637 -1.783 3.731 1.00 62.02 H new ATOM 0 HA ALA A 434 -12.016 -0.724 6.009 1.00 22.34 H new ATOM 0 HB1 ALA A 434 -12.295 1.223 4.562 1.00 14.23 H new ATOM 0 HB2 ALA A 434 -10.610 0.650 4.570 1.00 14.23 H new ATOM 0 HB3 ALA A 434 -11.664 0.294 3.181 1.00 14.23 H new ATOM 1113 N GLN A 435 -13.682 -1.433 3.297 1.00 1.40 N ATOM 1114 CA GLN A 435 -14.964 -1.839 2.836 1.00 72.02 C ATOM 1115 C GLN A 435 -14.850 -3.302 2.448 1.00 21.42 C ATOM 1116 O GLN A 435 -15.115 -4.193 3.256 1.00 33.11 O ATOM 1117 CB GLN A 435 -15.431 -0.991 1.634 1.00 4.40 C ATOM 1118 CG GLN A 435 -15.243 0.513 1.788 1.00 2.53 C ATOM 1119 CD GLN A 435 -15.869 1.097 3.031 1.00 64.04 C ATOM 1120 OE1 GLN A 435 -16.883 0.614 3.535 1.00 42.30 O ATOM 1121 NE2 GLN A 435 -15.269 2.138 3.532 1.00 13.41 N ATOM 0 H GLN A 435 -12.977 -1.324 2.568 1.00 1.40 H new ATOM 0 HA GLN A 435 -15.708 -1.697 3.620 1.00 72.02 H new ATOM 0 HB2 GLN A 435 -14.890 -1.319 0.746 1.00 4.40 H new ATOM 0 HB3 GLN A 435 -16.487 -1.193 1.456 1.00 4.40 H new ATOM 0 HG2 GLN A 435 -14.176 0.734 1.795 1.00 2.53 H new ATOM 0 HG3 GLN A 435 -15.666 1.011 0.915 1.00 2.53 H new ATOM 0 HE21 GLN A 435 -14.431 2.508 3.084 1.00 13.41 H new ATOM 0 HE22 GLN A 435 -15.637 2.584 4.372 1.00 13.41 H new ATOM 1129 N LYS A 436 -14.397 -3.532 1.223 1.00 21.40 N ATOM 1130 CA LYS A 436 -14.139 -4.860 0.673 1.00 30.02 C ATOM 1131 C LYS A 436 -12.989 -4.786 -0.288 1.00 51.13 C ATOM 1132 O LYS A 436 -11.991 -5.473 -0.147 1.00 62.31 O ATOM 1133 CB LYS A 436 -15.336 -5.461 -0.100 1.00 32.13 C ATOM 1134 CG LYS A 436 -16.527 -5.910 0.715 1.00 22.13 C ATOM 1135 CD LYS A 436 -17.396 -4.777 1.237 1.00 33.33 C ATOM 1136 CE LYS A 436 -18.549 -5.308 2.077 1.00 63.11 C ATOM 1137 NZ LYS A 436 -18.080 -6.061 3.266 1.00 64.24 N ATOM 0 H LYS A 436 -14.193 -2.780 0.565 1.00 21.40 H new ATOM 0 HA LYS A 436 -13.932 -5.500 1.531 1.00 30.02 H new ATOM 0 HB2 LYS A 436 -15.680 -4.719 -0.821 1.00 32.13 H new ATOM 0 HB3 LYS A 436 -14.975 -6.317 -0.671 1.00 32.13 H new ATOM 0 HG2 LYS A 436 -17.142 -6.571 0.103 1.00 22.13 H new ATOM 0 HG3 LYS A 436 -16.172 -6.498 1.561 1.00 22.13 H new ATOM 0 HD2 LYS A 436 -16.790 -4.097 1.836 1.00 33.33 H new ATOM 0 HD3 LYS A 436 -17.789 -4.201 0.399 1.00 33.33 H new ATOM 0 HE2 LYS A 436 -19.174 -4.475 2.400 1.00 63.11 H new ATOM 0 HE3 LYS A 436 -19.175 -5.956 1.463 1.00 63.11 H new ATOM 0 HZ1 LYS A 436 -18.864 -6.168 3.941 1.00 64.24 H new ATOM 0 HZ2 LYS A 436 -17.746 -7.001 2.972 1.00 64.24 H new ATOM 0 HZ3 LYS A 436 -17.301 -5.543 3.720 1.00 64.24 H new ATOM 1151 N CYS A 437 -13.150 -3.933 -1.262 1.00 25.21 N ATOM 1152 CA CYS A 437 -12.189 -3.772 -2.331 1.00 63.31 C ATOM 1153 C CYS A 437 -11.175 -2.705 -1.977 1.00 64.33 C ATOM 1154 O CYS A 437 -10.170 -2.513 -2.658 1.00 1.32 O ATOM 1155 CB CYS A 437 -12.919 -3.335 -3.574 1.00 63.50 C ATOM 1156 SG CYS A 437 -14.288 -4.426 -4.049 1.00 71.55 S ATOM 0 H CYS A 437 -13.961 -3.320 -1.341 1.00 25.21 H new ATOM 0 HA CYS A 437 -11.675 -4.720 -2.489 1.00 63.31 H new ATOM 0 HB2 CYS A 437 -13.307 -2.328 -3.420 1.00 63.50 H new ATOM 0 HB3 CYS A 437 -12.209 -3.280 -4.399 1.00 63.50 H new ATOM 1161 N GLU A 438 -11.457 -2.033 -0.921 1.00 33.21 N ATOM 1162 CA GLU A 438 -10.686 -0.927 -0.450 1.00 22.30 C ATOM 1163 C GLU A 438 -10.063 -1.282 0.872 1.00 50.14 C ATOM 1164 O GLU A 438 -10.756 -1.757 1.785 1.00 60.31 O ATOM 1165 CB GLU A 438 -11.600 0.274 -0.323 1.00 64.34 C ATOM 1166 CG GLU A 438 -11.004 1.470 0.375 1.00 50.41 C ATOM 1167 CD GLU A 438 -11.975 2.607 0.490 1.00 3.24 C ATOM 1168 OE1 GLU A 438 -12.780 2.626 1.448 1.00 2.50 O ATOM 1169 OE2 GLU A 438 -11.946 3.509 -0.361 1.00 13.32 O ATOM 0 H GLU A 438 -12.263 -2.242 -0.333 1.00 33.21 H new ATOM 0 HA GLU A 438 -9.883 -0.687 -1.147 1.00 22.30 H new ATOM 0 HB2 GLU A 438 -11.914 0.577 -1.322 1.00 64.34 H new ATOM 0 HB3 GLU A 438 -12.498 -0.029 0.216 1.00 64.34 H new ATOM 0 HG2 GLU A 438 -10.671 1.178 1.371 1.00 50.41 H new ATOM 0 HG3 GLU A 438 -10.121 1.803 -0.171 1.00 50.41 H new ATOM 1176 N TYR A 439 -8.777 -1.082 0.973 1.00 61.34 N ATOM 1177 CA TYR A 439 -8.032 -1.445 2.156 1.00 41.10 C ATOM 1178 C TYR A 439 -7.280 -0.249 2.693 1.00 13.44 C ATOM 1179 O TYR A 439 -6.920 0.652 1.942 1.00 4.14 O ATOM 1180 CB TYR A 439 -7.024 -2.553 1.797 1.00 15.14 C ATOM 1181 CG TYR A 439 -7.670 -3.717 1.093 1.00 43.52 C ATOM 1182 CD1 TYR A 439 -7.828 -3.717 -0.291 1.00 44.24 C ATOM 1183 CD2 TYR A 439 -8.156 -4.791 1.801 1.00 12.31 C ATOM 1184 CE1 TYR A 439 -8.456 -4.752 -0.933 1.00 54.02 C ATOM 1185 CE2 TYR A 439 -8.779 -5.839 1.164 1.00 15.53 C ATOM 1186 CZ TYR A 439 -8.928 -5.815 -0.203 1.00 45.02 C ATOM 1187 OH TYR A 439 -9.590 -6.851 -0.834 1.00 12.21 O ATOM 0 H TYR A 439 -8.211 -0.661 0.236 1.00 61.34 H new ATOM 0 HA TYR A 439 -8.727 -1.798 2.917 1.00 41.10 H new ATOM 0 HB2 TYR A 439 -6.243 -2.136 1.161 1.00 15.14 H new ATOM 0 HB3 TYR A 439 -6.539 -2.907 2.707 1.00 15.14 H new ATOM 0 HD1 TYR A 439 -7.449 -2.887 -0.868 1.00 44.24 H new ATOM 0 HD2 TYR A 439 -8.047 -4.812 2.875 1.00 12.31 H new ATOM 0 HE1 TYR A 439 -8.579 -4.732 -2.006 1.00 54.02 H new ATOM 0 HE2 TYR A 439 -9.150 -6.677 1.735 1.00 15.53 H new ATOM 0 HH TYR A 439 -10.557 -6.697 -0.789 1.00 12.21 H new ATOM 1197 N LEU A 440 -7.078 -0.221 3.975 1.00 42.05 N ATOM 1198 CA LEU A 440 -6.256 0.779 4.575 1.00 64.15 C ATOM 1199 C LEU A 440 -5.017 0.081 5.087 1.00 61.01 C ATOM 1200 O LEU A 440 -5.104 -0.918 5.798 1.00 20.45 O ATOM 1201 CB LEU A 440 -7.032 1.614 5.652 1.00 34.45 C ATOM 1202 CG LEU A 440 -7.536 0.920 6.940 1.00 14.33 C ATOM 1203 CD1 LEU A 440 -6.429 0.764 7.983 1.00 1.42 C ATOM 1204 CD2 LEU A 440 -8.725 1.667 7.517 1.00 21.50 C ATOM 0 H LEU A 440 -7.479 -0.891 4.632 1.00 42.05 H new ATOM 0 HA LEU A 440 -5.955 1.535 3.850 1.00 64.15 H new ATOM 0 HB2 LEU A 440 -6.384 2.436 5.957 1.00 34.45 H new ATOM 0 HB3 LEU A 440 -7.898 2.057 5.160 1.00 34.45 H new ATOM 0 HG LEU A 440 -7.855 -0.085 6.664 1.00 14.33 H new ATOM 0 HD11 LEU A 440 -6.830 0.272 8.869 1.00 1.42 H new ATOM 0 HD12 LEU A 440 -5.621 0.162 7.568 1.00 1.42 H new ATOM 0 HD13 LEU A 440 -6.046 1.747 8.256 1.00 1.42 H new ATOM 0 HD21 LEU A 440 -9.066 1.165 8.422 1.00 21.50 H new ATOM 0 HD22 LEU A 440 -8.431 2.689 7.758 1.00 21.50 H new ATOM 0 HD23 LEU A 440 -9.533 1.685 6.786 1.00 21.50 H new ATOM 1212 N ILE A 441 -3.897 0.543 4.676 1.00 13.11 N ATOM 1213 CA ILE A 441 -2.647 -0.096 4.999 1.00 44.35 C ATOM 1214 C ILE A 441 -1.722 0.872 5.723 1.00 22.04 C ATOM 1215 O ILE A 441 -1.570 2.033 5.316 1.00 23.42 O ATOM 1216 CB ILE A 441 -1.986 -0.641 3.695 1.00 53.31 C ATOM 1217 CG1 ILE A 441 -2.856 -1.741 3.075 1.00 65.43 C ATOM 1218 CG2 ILE A 441 -0.566 -1.157 3.948 1.00 24.34 C ATOM 1219 CD1 ILE A 441 -2.447 -2.173 1.685 1.00 2.52 C ATOM 0 H ILE A 441 -3.804 1.380 4.101 1.00 13.11 H new ATOM 0 HA ILE A 441 -2.835 -0.934 5.670 1.00 44.35 H new ATOM 0 HB ILE A 441 -1.911 0.189 2.993 1.00 53.31 H new ATOM 0 HG12 ILE A 441 -2.836 -2.612 3.730 1.00 65.43 H new ATOM 0 HG13 ILE A 441 -3.888 -1.391 3.041 1.00 65.43 H new ATOM 0 HG21 ILE A 441 -0.142 -1.527 3.015 1.00 24.34 H new ATOM 0 HG22 ILE A 441 0.053 -0.346 4.331 1.00 24.34 H new ATOM 0 HG23 ILE A 441 -0.597 -1.965 4.678 1.00 24.34 H new ATOM 0 HD11 ILE A 441 -3.122 -2.953 1.333 1.00 2.52 H new ATOM 0 HD12 ILE A 441 -2.496 -1.319 1.009 1.00 2.52 H new ATOM 0 HD13 ILE A 441 -1.428 -2.558 1.709 1.00 2.52 H new ATOM 1226 N LYS A 442 -1.132 0.414 6.801 1.00 24.45 N ATOM 1227 CA LYS A 442 -0.233 1.214 7.550 1.00 31.10 C ATOM 1228 C LYS A 442 1.182 0.865 7.162 1.00 51.05 C ATOM 1229 O LYS A 442 1.503 -0.309 6.970 1.00 51.21 O ATOM 1230 CB LYS A 442 -0.440 0.958 9.044 1.00 63.13 C ATOM 1231 CG LYS A 442 0.477 1.768 9.959 1.00 0.03 C ATOM 1232 CD LYS A 442 0.266 3.255 9.793 1.00 45.12 C ATOM 1233 CE LYS A 442 -1.150 3.636 10.135 1.00 12.45 C ATOM 1234 NZ LYS A 442 -1.370 5.079 10.008 1.00 55.32 N ATOM 0 H LYS A 442 -1.271 -0.526 7.172 1.00 24.45 H new ATOM 0 HA LYS A 442 -0.418 2.268 7.341 1.00 31.10 H new ATOM 0 HB2 LYS A 442 -1.476 1.183 9.298 1.00 63.13 H new ATOM 0 HB3 LYS A 442 -0.286 -0.103 9.243 1.00 63.13 H new ATOM 0 HG2 LYS A 442 0.294 1.489 10.997 1.00 0.03 H new ATOM 0 HG3 LYS A 442 1.516 1.522 9.742 1.00 0.03 H new ATOM 0 HD2 LYS A 442 0.959 3.799 10.435 1.00 45.12 H new ATOM 0 HD3 LYS A 442 0.488 3.546 8.766 1.00 45.12 H new ATOM 0 HE2 LYS A 442 -1.838 3.104 9.478 1.00 12.45 H new ATOM 0 HE3 LYS A 442 -1.375 3.322 11.154 1.00 12.45 H new ATOM 0 HZ1 LYS A 442 -2.356 5.303 10.252 1.00 55.32 H new ATOM 0 HZ2 LYS A 442 -0.731 5.586 10.653 1.00 55.32 H new ATOM 0 HZ3 LYS A 442 -1.180 5.374 9.029 1.00 55.32 H new ATOM 1248 N MET A 443 2.016 1.861 7.025 1.00 52.42 N ATOM 1249 CA MET A 443 3.410 1.654 6.745 1.00 45.03 C ATOM 1250 C MET A 443 4.215 2.628 7.529 1.00 2.23 C ATOM 1251 O MET A 443 3.687 3.626 8.028 1.00 24.53 O ATOM 1252 CB MET A 443 3.753 1.806 5.254 1.00 2.42 C ATOM 1253 CG MET A 443 3.144 0.765 4.334 1.00 22.42 C ATOM 1254 SD MET A 443 3.703 0.935 2.621 1.00 14.34 S ATOM 1255 CE MET A 443 5.474 0.712 2.816 1.00 73.42 C ATOM 0 H MET A 443 1.746 2.841 7.105 1.00 52.42 H new ATOM 0 HA MET A 443 3.645 0.628 7.028 1.00 45.03 H new ATOM 0 HB2 MET A 443 3.428 2.792 4.923 1.00 2.42 H new ATOM 0 HB3 MET A 443 4.837 1.774 5.143 1.00 2.42 H new ATOM 0 HG2 MET A 443 3.400 -0.230 4.698 1.00 22.42 H new ATOM 0 HG3 MET A 443 2.058 0.847 4.367 1.00 22.42 H new ATOM 0 HE1 MET A 443 5.921 0.489 1.847 1.00 73.42 H new ATOM 0 HE2 MET A 443 5.914 1.625 3.217 1.00 73.42 H new ATOM 0 HE3 MET A 443 5.663 -0.113 3.502 1.00 73.42 H new ATOM 1265 N LYS A 444 5.462 2.352 7.670 1.00 53.34 N ATOM 1266 CA LYS A 444 6.358 3.256 8.326 1.00 70.20 C ATOM 1267 C LYS A 444 7.560 3.389 7.463 1.00 45.23 C ATOM 1268 O LYS A 444 7.781 2.556 6.590 1.00 24.22 O ATOM 1269 CB LYS A 444 6.772 2.761 9.713 1.00 40.44 C ATOM 1270 CG LYS A 444 5.631 2.453 10.634 1.00 64.42 C ATOM 1271 CD LYS A 444 4.950 3.712 11.097 1.00 72.41 C ATOM 1272 CE LYS A 444 3.696 3.363 11.844 1.00 71.31 C ATOM 1273 NZ LYS A 444 2.958 4.531 12.404 1.00 23.44 N ATOM 0 H LYS A 444 5.898 1.493 7.335 1.00 53.34 H new ATOM 0 HA LYS A 444 5.856 4.213 8.472 1.00 70.20 H new ATOM 0 HB2 LYS A 444 7.380 1.864 9.597 1.00 40.44 H new ATOM 0 HB3 LYS A 444 7.404 3.516 10.180 1.00 40.44 H new ATOM 0 HG2 LYS A 444 4.911 1.814 10.124 1.00 64.42 H new ATOM 0 HG3 LYS A 444 5.997 1.896 11.497 1.00 64.42 H new ATOM 0 HD2 LYS A 444 5.620 4.284 11.739 1.00 72.41 H new ATOM 0 HD3 LYS A 444 4.711 4.344 10.241 1.00 72.41 H new ATOM 0 HE2 LYS A 444 3.031 2.817 11.175 1.00 71.31 H new ATOM 0 HE3 LYS A 444 3.952 2.687 12.660 1.00 71.31 H new ATOM 0 HZ1 LYS A 444 2.429 4.235 13.249 1.00 23.44 H new ATOM 0 HZ2 LYS A 444 3.634 5.277 12.663 1.00 23.44 H new ATOM 0 HZ3 LYS A 444 2.295 4.897 11.691 1.00 23.44 H new ATOM 1287 N SER A 445 8.299 4.419 7.677 1.00 62.21 N ATOM 1288 CA SER A 445 9.518 4.685 6.923 1.00 73.33 C ATOM 1289 C SER A 445 10.305 5.788 7.623 1.00 41.40 C ATOM 1290 O SER A 445 9.708 6.677 8.237 1.00 53.35 O ATOM 1291 CB SER A 445 9.176 5.105 5.459 1.00 2.14 C ATOM 1292 OG SER A 445 10.347 5.321 4.670 1.00 25.20 O ATOM 0 H SER A 445 8.090 5.123 8.385 1.00 62.21 H new ATOM 0 HA SER A 445 10.122 3.778 6.880 1.00 73.33 H new ATOM 0 HB2 SER A 445 8.565 4.331 4.994 1.00 2.14 H new ATOM 0 HB3 SER A 445 8.578 6.016 5.475 1.00 2.14 H new ATOM 0 HG SER A 445 10.086 5.580 3.762 1.00 25.20 H new ATOM 1298 N PRO A 446 11.650 5.749 7.563 1.00 74.21 N ATOM 1299 CA PRO A 446 12.494 6.781 8.175 1.00 62.31 C ATOM 1300 C PRO A 446 12.312 8.124 7.487 1.00 33.55 C ATOM 1301 O PRO A 446 12.437 9.179 8.104 1.00 3.40 O ATOM 1302 CB PRO A 446 13.914 6.262 7.945 1.00 73.42 C ATOM 1303 CG PRO A 446 13.800 5.338 6.786 1.00 4.32 C ATOM 1304 CD PRO A 446 12.459 4.693 6.922 1.00 41.43 C ATOM 0 HA PRO A 446 12.254 6.945 9.225 1.00 62.31 H new ATOM 0 HB2 PRO A 446 14.604 7.079 7.733 1.00 73.42 H new ATOM 0 HB3 PRO A 446 14.294 5.745 8.827 1.00 73.42 H new ATOM 0 HG2 PRO A 446 13.882 5.879 5.843 1.00 4.32 H new ATOM 0 HG3 PRO A 446 14.597 4.594 6.797 1.00 4.32 H new ATOM 0 HD2 PRO A 446 12.050 4.402 5.954 1.00 41.43 H new ATOM 0 HD3 PRO A 446 12.504 3.791 7.533 1.00 41.43 H new ATOM 1312 N ALA A 447 11.953 8.072 6.218 1.00 31.30 N ATOM 1313 CA ALA A 447 11.758 9.263 5.432 1.00 3.22 C ATOM 1314 C ALA A 447 10.413 9.891 5.754 1.00 42.14 C ATOM 1315 O ALA A 447 10.163 11.044 5.434 1.00 63.00 O ATOM 1316 CB ALA A 447 11.858 8.940 3.948 1.00 32.14 C ATOM 0 H ALA A 447 11.790 7.203 5.710 1.00 31.30 H new ATOM 0 HA ALA A 447 12.541 9.979 5.681 1.00 3.22 H new ATOM 0 HB1 ALA A 447 11.708 9.850 3.367 1.00 32.14 H new ATOM 0 HB2 ALA A 447 12.844 8.529 3.731 1.00 32.14 H new ATOM 0 HB3 ALA A 447 11.093 8.210 3.682 1.00 32.14 H new ATOM 1322 N ALA A 448 9.554 9.138 6.415 1.00 43.34 N ATOM 1323 CA ALA A 448 8.223 9.611 6.750 1.00 43.21 C ATOM 1324 C ALA A 448 8.206 10.170 8.145 1.00 23.34 C ATOM 1325 O ALA A 448 7.147 10.503 8.692 1.00 10.44 O ATOM 1326 CB ALA A 448 7.235 8.489 6.651 1.00 25.32 C ATOM 0 H ALA A 448 9.756 8.190 6.733 1.00 43.34 H new ATOM 0 HA ALA A 448 7.948 10.396 6.045 1.00 43.21 H new ATOM 0 HB1 ALA A 448 6.241 8.856 6.905 1.00 25.32 H new ATOM 0 HB2 ALA A 448 7.229 8.098 5.633 1.00 25.32 H new ATOM 0 HB3 ALA A 448 7.516 7.695 7.343 1.00 25.32 H new ATOM 1332 N CYS A 449 9.364 10.299 8.708 1.00 11.04 N ATOM 1333 CA CYS A 449 9.492 10.760 10.039 1.00 14.34 C ATOM 1334 C CYS A 449 9.924 12.205 10.005 1.00 32.13 C ATOM 1335 O CYS A 449 10.935 12.550 9.387 1.00 4.35 O ATOM 1336 CB CYS A 449 10.523 9.910 10.768 1.00 41.03 C ATOM 1337 SG CYS A 449 10.527 10.110 12.563 1.00 64.33 S ATOM 0 H CYS A 449 10.249 10.084 8.248 1.00 11.04 H new ATOM 0 HA CYS A 449 8.542 10.680 10.567 1.00 14.34 H new ATOM 0 HB2 CYS A 449 10.342 8.861 10.533 1.00 41.03 H new ATOM 0 HB3 CYS A 449 11.514 10.156 10.386 1.00 41.03 H new ATOM 1342 N SER A 450 9.128 13.054 10.598 1.00 0.03 N ATOM 1343 CA SER A 450 9.403 14.464 10.643 1.00 73.12 C ATOM 1344 C SER A 450 8.763 15.048 11.888 1.00 20.52 C ATOM 1345 O SER A 450 9.393 15.019 12.954 1.00 38.13 O ATOM 1346 CB SER A 450 8.853 15.153 9.383 1.00 4.31 C ATOM 1347 OG SER A 450 9.405 14.565 8.210 1.00 23.20 O ATOM 1348 OXT SER A 450 7.612 15.501 11.819 1.00 38.13 O ATOM 0 H SER A 450 8.264 12.784 11.067 1.00 0.03 H new ATOM 0 HA SER A 450 10.480 14.628 10.676 1.00 73.12 H new ATOM 0 HB2 SER A 450 7.766 15.070 9.361 1.00 4.31 H new ATOM 0 HB3 SER A 450 9.091 16.216 9.410 1.00 4.31 H new ATOM 0 HG SER A 450 8.958 14.932 7.419 1.00 23.20 H new TER 1354 SER A 450