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 410 ASN : amide:sc= 0.129 K(o=0.51,f=-4.8!) USER MOD Set 1.2: A 436 LYS NZ :NH3+ -172:sc= 0.383 (180deg=0) USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-0.91) USER MOD Set 3.1: A 379 TYR OH : rot 85:sc= 0.0139 USER MOD Set 3.2: A 395 GLN : amide:sc= -3.89 X(o=-3.9,f=-4.4!) USER MOD Set 4.1: A 374 TYR OH : rot -39:sc= -0.619 USER MOD Set 4.2: A 384 GLN : amide:sc= 1.17 K(o=0.55,f=-3.8!) USER MOD Set 5.1: A 363 MET CE :methyl 150:sc= -0.174 (180deg=-0.53) USER MOD Set 5.2: A 365 THR OG1 : rot -50:sc= -0.244 USER MOD Set 5.3: A 426 ASN : amide:sc= -0.553 X(o=-0.97,f=-0.93) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 171:sc= -0.0179 (180deg=-0.151) 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 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -1.83! X(o=-1.8!,f=-1.6) USER MOD Single : A 386 SER OG : rot 79:sc= 0.487 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.0629 F(o=-0.88,f=-0.063) USER MOD Single : A 394 SER OG : rot 180:sc= -0.198 USER MOD Single : A 398 ASN : amide:sc= 0.223 X(o=0.22,f=-0.26) USER MOD Single : A 401 LYS NZ :NH3+ 164:sc= -0.0534 (180deg=-0.309) USER MOD Single : A 402 TYR OH : rot -61:sc= -1.89 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.205 F(o=-1.3,f=-0.21) USER MOD Single : A 415 SER OG : rot 44:sc= 1.23 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -1.21 USER MOD Single : A 435 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 439 TYR OH : rot -92:sc= 0.809 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 153:sc= -0.716 (180deg=-3.64!) USER MOD Single : A 444 LYS NZ :NH3+ -147:sc= 0.802 (180deg=-1.14!) USER MOD Single : A 445 SER OG : rot 26:sc= 0.45 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.219 14.573 5.115 1.00 3.00 N ATOM 2 CA TYR A 357 7.487 13.326 4.954 1.00 34.33 C ATOM 3 C TYR A 357 7.636 12.806 3.532 1.00 41.02 C ATOM 4 O TYR A 357 7.052 13.353 2.607 1.00 75.05 O ATOM 5 CB TYR A 357 5.997 13.541 5.261 1.00 0.21 C ATOM 6 CG TYR A 357 5.708 14.027 6.660 1.00 40.44 C ATOM 7 CD1 TYR A 357 5.753 13.160 7.731 1.00 74.32 C ATOM 8 CD2 TYR A 357 5.383 15.357 6.905 1.00 73.15 C ATOM 9 CE1 TYR A 357 5.487 13.590 9.009 1.00 3.20 C ATOM 10 CE2 TYR A 357 5.115 15.797 8.186 1.00 33.01 C ATOM 11 CZ TYR A 357 5.170 14.907 9.234 1.00 44.15 C ATOM 12 OH TYR A 357 4.902 15.336 10.521 1.00 30.21 O ATOM 0 HA TYR A 357 7.898 12.595 5.650 1.00 34.33 H new ATOM 0 HB2 TYR A 357 5.593 14.261 4.550 1.00 0.21 H new ATOM 0 HB3 TYR A 357 5.467 12.602 5.100 1.00 0.21 H new ATOM 0 HD1 TYR A 357 6.002 12.123 7.562 1.00 74.32 H new ATOM 0 HD2 TYR A 357 5.340 16.055 6.082 1.00 73.15 H new ATOM 0 HE1 TYR A 357 5.527 12.894 9.834 1.00 3.20 H new ATOM 0 HE2 TYR A 357 4.864 16.832 8.364 1.00 33.01 H new ATOM 0 HH TYR A 357 4.696 16.294 10.510 1.00 30.21 H new ATOM 24 N ARG A 358 8.461 11.787 3.355 1.00 22.41 N ATOM 25 CA ARG A 358 8.640 11.144 2.056 1.00 44.03 C ATOM 26 C ARG A 358 8.616 9.640 2.219 1.00 24.51 C ATOM 27 O ARG A 358 8.581 9.125 3.337 1.00 34.22 O ATOM 28 CB ARG A 358 9.980 11.522 1.339 1.00 62.32 C ATOM 29 CG ARG A 358 10.164 12.973 0.897 1.00 10.30 C ATOM 30 CD ARG A 358 10.431 13.912 2.051 1.00 22.41 C ATOM 31 NE ARG A 358 10.559 15.287 1.588 1.00 64.01 N ATOM 32 CZ ARG A 358 11.013 16.311 2.303 1.00 64.12 C ATOM 33 NH1 ARG A 358 11.468 16.126 3.537 1.00 23.24 N ATOM 34 NH2 ARG A 358 11.025 17.523 1.768 1.00 13.22 N ATOM 0 H ARG A 358 9.025 11.381 4.102 1.00 22.41 H new ATOM 0 HA ARG A 358 7.817 11.502 1.437 1.00 44.03 H new ATOM 0 HB2 ARG A 358 10.802 11.269 2.009 1.00 62.32 H new ATOM 0 HB3 ARG A 358 10.080 10.888 0.458 1.00 62.32 H new ATOM 0 HG2 ARG A 358 10.992 13.030 0.190 1.00 10.30 H new ATOM 0 HG3 ARG A 358 9.270 13.302 0.367 1.00 10.30 H new ATOM 0 HD2 ARG A 358 9.620 13.843 2.776 1.00 22.41 H new ATOM 0 HD3 ARG A 358 11.344 13.611 2.565 1.00 22.41 H new ATOM 0 HE ARG A 358 10.274 15.482 0.628 1.00 64.01 H new ATOM 0 HH11 ARG A 358 11.471 15.191 3.945 1.00 23.24 H new ATOM 0 HH12 ARG A 358 11.814 16.919 4.077 1.00 23.24 H new ATOM 0 HH21 ARG A 358 10.688 17.663 0.816 1.00 13.22 H new ATOM 0 HH22 ARG A 358 11.371 18.316 2.308 1.00 13.22 H new ATOM 46 N ALA A 359 8.641 8.960 1.119 1.00 52.32 N ATOM 47 CA ALA A 359 8.739 7.529 1.068 1.00 71.50 C ATOM 48 C ALA A 359 9.755 7.195 -0.009 1.00 53.02 C ATOM 49 O ALA A 359 9.928 7.981 -0.952 1.00 73.23 O ATOM 50 CB ALA A 359 7.389 6.894 0.791 1.00 52.33 C ATOM 0 H ALA A 359 8.592 9.396 0.198 1.00 52.32 H new ATOM 0 HA ALA A 359 9.062 7.127 2.028 1.00 71.50 H new ATOM 0 HB1 ALA A 359 7.497 5.810 0.758 1.00 52.33 H new ATOM 0 HB2 ALA A 359 6.690 7.166 1.582 1.00 52.33 H new ATOM 0 HB3 ALA A 359 7.009 7.250 -0.167 1.00 52.33 H new ATOM 56 N ILE A 360 10.434 6.081 0.107 1.00 24.52 N ATOM 57 CA ILE A 360 11.533 5.802 -0.806 1.00 2.20 C ATOM 58 C ILE A 360 10.985 5.253 -2.120 1.00 65.34 C ATOM 59 O ILE A 360 10.429 4.170 -2.163 1.00 75.23 O ATOM 60 CB ILE A 360 12.515 4.754 -0.220 1.00 4.02 C ATOM 61 CG1 ILE A 360 12.904 5.080 1.237 1.00 42.11 C ATOM 62 CG2 ILE A 360 13.756 4.678 -1.083 1.00 33.04 C ATOM 63 CD1 ILE A 360 13.513 6.454 1.444 1.00 2.15 C ATOM 0 H ILE A 360 10.257 5.361 0.807 1.00 24.52 H new ATOM 0 HA ILE A 360 12.067 6.739 -0.966 1.00 2.20 H new ATOM 0 HB ILE A 360 12.009 3.789 -0.216 1.00 4.02 H new ATOM 0 HG12 ILE A 360 12.015 4.995 1.863 1.00 42.11 H new ATOM 0 HG13 ILE A 360 13.613 4.328 1.585 1.00 42.11 H new ATOM 0 HG21 ILE A 360 14.443 3.941 -0.668 1.00 33.04 H new ATOM 0 HG22 ILE A 360 13.478 4.385 -2.095 1.00 33.04 H new ATOM 0 HG23 ILE A 360 14.242 5.653 -1.108 1.00 33.04 H new ATOM 0 HD11 ILE A 360 13.753 6.590 2.498 1.00 2.15 H new ATOM 0 HD12 ILE A 360 14.423 6.542 0.850 1.00 2.15 H new ATOM 0 HD13 ILE A 360 12.801 7.218 1.132 1.00 2.15 H new ATOM 70 N LYS A 361 11.184 5.992 -3.189 1.00 10.44 N ATOM 71 CA LYS A 361 10.642 5.620 -4.483 1.00 2.41 C ATOM 72 C LYS A 361 11.476 4.554 -5.178 1.00 30.43 C ATOM 73 O LYS A 361 12.716 4.565 -5.102 1.00 11.41 O ATOM 74 CB LYS A 361 10.412 6.833 -5.436 1.00 2.43 C ATOM 75 CG LYS A 361 11.637 7.698 -5.774 1.00 71.03 C ATOM 76 CD LYS A 361 11.991 8.699 -4.675 1.00 11.04 C ATOM 77 CE LYS A 361 13.267 9.471 -5.008 1.00 4.03 C ATOM 78 NZ LYS A 361 13.185 10.187 -6.298 1.00 2.21 N ATOM 0 H LYS A 361 11.720 6.860 -3.190 1.00 10.44 H new ATOM 0 HA LYS A 361 9.662 5.198 -4.260 1.00 2.41 H new ATOM 0 HB2 LYS A 361 9.996 6.456 -6.370 1.00 2.43 H new ATOM 0 HB3 LYS A 361 9.656 7.477 -4.988 1.00 2.43 H new ATOM 0 HG2 LYS A 361 12.494 7.048 -5.954 1.00 71.03 H new ATOM 0 HG3 LYS A 361 11.447 8.239 -6.701 1.00 71.03 H new ATOM 0 HD2 LYS A 361 11.166 9.399 -4.540 1.00 11.04 H new ATOM 0 HD3 LYS A 361 12.120 8.172 -3.730 1.00 11.04 H new ATOM 0 HE2 LYS A 361 13.470 10.188 -4.212 1.00 4.03 H new ATOM 0 HE3 LYS A 361 14.108 8.778 -5.035 1.00 4.03 H new ATOM 0 HZ1 LYS A 361 14.010 10.812 -6.401 1.00 2.21 H new ATOM 0 HZ2 LYS A 361 13.172 9.498 -7.077 1.00 2.21 H new ATOM 0 HZ3 LYS A 361 12.315 10.756 -6.325 1.00 2.21 H new ATOM 92 N GLY A 362 10.787 3.630 -5.838 1.00 42.32 N ATOM 93 CA GLY A 362 11.441 2.581 -6.597 1.00 14.33 C ATOM 94 C GLY A 362 11.627 1.292 -5.816 1.00 23.53 C ATOM 95 O GLY A 362 11.661 0.204 -6.401 1.00 61.31 O ATOM 0 H GLY A 362 9.768 3.590 -5.860 1.00 42.32 H new ATOM 0 HA2 GLY A 362 10.855 2.372 -7.492 1.00 14.33 H new ATOM 0 HA3 GLY A 362 12.415 2.938 -6.930 1.00 14.33 H new ATOM 99 N MET A 363 11.726 1.406 -4.507 1.00 41.32 N ATOM 100 CA MET A 363 11.956 0.248 -3.652 1.00 0.01 C ATOM 101 C MET A 363 10.742 -0.624 -3.473 1.00 12.13 C ATOM 102 O MET A 363 9.595 -0.147 -3.476 1.00 72.54 O ATOM 103 CB MET A 363 12.533 0.646 -2.295 1.00 55.42 C ATOM 104 CG MET A 363 13.995 1.037 -2.341 1.00 41.42 C ATOM 105 SD MET A 363 14.645 1.598 -0.750 1.00 32.30 S ATOM 106 CE MET A 363 14.215 0.240 0.328 1.00 43.13 C ATOM 0 H MET A 363 11.651 2.291 -4.006 1.00 41.32 H new ATOM 0 HA MET A 363 12.695 -0.352 -4.183 1.00 0.01 H new ATOM 0 HB2 MET A 363 11.956 1.481 -1.897 1.00 55.42 H new ATOM 0 HB3 MET A 363 12.411 -0.186 -1.601 1.00 55.42 H new ATOM 0 HG2 MET A 363 14.580 0.183 -2.682 1.00 41.42 H new ATOM 0 HG3 MET A 363 14.128 1.829 -3.078 1.00 41.42 H new ATOM 0 HE1 MET A 363 14.950 0.165 1.129 1.00 43.13 H new ATOM 0 HE2 MET A 363 13.228 0.414 0.756 1.00 43.13 H new ATOM 0 HE3 MET A 363 14.204 -0.688 -0.243 1.00 43.13 H new ATOM 116 N GLU A 364 11.006 -1.906 -3.341 1.00 74.04 N ATOM 117 CA GLU A 364 10.000 -2.887 -3.080 1.00 42.30 C ATOM 118 C GLU A 364 9.924 -3.082 -1.588 1.00 42.43 C ATOM 119 O GLU A 364 10.947 -3.323 -0.937 1.00 4.41 O ATOM 120 CB GLU A 364 10.373 -4.243 -3.699 1.00 42.34 C ATOM 121 CG GLU A 364 10.589 -4.261 -5.202 1.00 25.22 C ATOM 122 CD GLU A 364 10.983 -5.644 -5.684 1.00 13.43 C ATOM 123 OE1 GLU A 364 10.095 -6.489 -5.895 1.00 40.34 O ATOM 124 OE2 GLU A 364 12.198 -5.916 -5.828 1.00 51.11 O ATOM 0 H GLU A 364 11.947 -2.293 -3.415 1.00 74.04 H new ATOM 0 HA GLU A 364 9.057 -2.544 -3.506 1.00 42.30 H new ATOM 0 HB2 GLU A 364 11.284 -4.599 -3.218 1.00 42.34 H new ATOM 0 HB3 GLU A 364 9.585 -4.957 -3.458 1.00 42.34 H new ATOM 0 HG2 GLU A 364 9.677 -3.944 -5.707 1.00 25.22 H new ATOM 0 HG3 GLU A 364 11.366 -3.545 -5.469 1.00 25.22 H new ATOM 131 N THR A 365 8.772 -2.951 -1.046 1.00 11.23 N ATOM 132 CA THR A 365 8.563 -3.243 0.337 1.00 11.22 C ATOM 133 C THR A 365 7.577 -4.383 0.411 1.00 2.25 C ATOM 134 O THR A 365 6.501 -4.312 -0.177 1.00 12.40 O ATOM 135 CB THR A 365 8.048 -2.010 1.094 1.00 63.43 C ATOM 136 OG1 THR A 365 9.008 -0.952 0.971 1.00 55.32 O ATOM 137 CG2 THR A 365 7.827 -2.321 2.564 1.00 53.33 C ATOM 0 H THR A 365 7.939 -2.638 -1.543 1.00 11.23 H new ATOM 0 HA THR A 365 9.503 -3.524 0.812 1.00 11.22 H new ATOM 0 HB THR A 365 7.093 -1.710 0.662 1.00 63.43 H new ATOM 0 HG1 THR A 365 9.898 -1.289 1.205 1.00 55.32 H new ATOM 0 HG21 THR A 365 7.463 -1.429 3.074 1.00 53.33 H new ATOM 0 HG22 THR A 365 7.092 -3.120 2.660 1.00 53.33 H new ATOM 0 HG23 THR A 365 8.768 -2.637 3.014 1.00 53.33 H new ATOM 143 N LYS A 366 7.942 -5.430 1.092 1.00 21.42 N ATOM 144 CA LYS A 366 7.129 -6.605 1.132 1.00 23.42 C ATOM 145 C LYS A 366 7.099 -7.191 2.519 1.00 54.33 C ATOM 146 O LYS A 366 8.107 -7.191 3.214 1.00 14.32 O ATOM 147 CB LYS A 366 7.625 -7.588 0.086 1.00 34.15 C ATOM 148 CG LYS A 366 9.075 -7.983 0.257 1.00 53.31 C ATOM 149 CD LYS A 366 9.645 -8.550 -1.021 1.00 60.32 C ATOM 150 CE LYS A 366 8.880 -9.749 -1.541 1.00 45.51 C ATOM 151 NZ LYS A 366 9.539 -10.326 -2.736 1.00 44.10 N ATOM 0 H LYS A 366 8.806 -5.491 1.631 1.00 21.42 H new ATOM 0 HA LYS A 366 6.096 -6.352 0.891 1.00 23.42 H new ATOM 0 HB2 LYS A 366 7.007 -8.485 0.123 1.00 34.15 H new ATOM 0 HB3 LYS A 366 7.492 -7.149 -0.903 1.00 34.15 H new ATOM 0 HG2 LYS A 366 9.657 -7.114 0.563 1.00 53.31 H new ATOM 0 HG3 LYS A 366 9.161 -8.721 1.055 1.00 53.31 H new ATOM 0 HD2 LYS A 366 9.649 -7.772 -1.785 1.00 60.32 H new ATOM 0 HD3 LYS A 366 10.683 -8.836 -0.852 1.00 60.32 H new ATOM 0 HE2 LYS A 366 8.810 -10.506 -0.760 1.00 45.51 H new ATOM 0 HE3 LYS A 366 7.861 -9.453 -1.791 1.00 45.51 H new ATOM 0 HZ1 LYS A 366 8.994 -11.146 -3.071 1.00 44.10 H new ATOM 0 HZ2 LYS A 366 9.584 -9.609 -3.488 1.00 44.10 H new ATOM 0 HZ3 LYS A 366 10.503 -10.629 -2.489 1.00 44.10 H new ATOM 165 N ARG A 367 5.951 -7.675 2.925 1.00 43.11 N ATOM 166 CA ARG A 367 5.766 -8.179 4.272 1.00 2.53 C ATOM 167 C ARG A 367 4.595 -9.146 4.235 1.00 32.13 C ATOM 168 O ARG A 367 3.593 -8.881 3.563 1.00 61.31 O ATOM 169 CB ARG A 367 5.494 -6.955 5.183 1.00 61.42 C ATOM 170 CG ARG A 367 5.573 -7.116 6.717 1.00 45.51 C ATOM 171 CD ARG A 367 4.427 -7.864 7.356 1.00 44.40 C ATOM 172 NE ARG A 367 4.478 -7.730 8.835 1.00 4.05 N ATOM 173 CZ ARG A 367 3.704 -8.385 9.725 1.00 54.33 C ATOM 174 NH1 ARG A 367 2.928 -9.377 9.343 1.00 52.34 N ATOM 175 NH2 ARG A 367 3.751 -8.060 11.013 1.00 52.53 N ATOM 0 H ARG A 367 5.119 -7.733 2.337 1.00 43.11 H new ATOM 0 HA ARG A 367 6.635 -8.710 4.660 1.00 2.53 H new ATOM 0 HB2 ARG A 367 6.200 -6.174 4.900 1.00 61.42 H new ATOM 0 HB3 ARG A 367 4.497 -6.585 4.944 1.00 61.42 H new ATOM 0 HG2 ARG A 367 6.501 -7.632 6.963 1.00 45.51 H new ATOM 0 HG3 ARG A 367 5.631 -6.124 7.166 1.00 45.51 H new ATOM 0 HD2 ARG A 367 3.479 -7.477 6.982 1.00 44.40 H new ATOM 0 HD3 ARG A 367 4.473 -8.917 7.079 1.00 44.40 H new ATOM 0 HE ARG A 367 5.165 -7.079 9.215 1.00 4.05 H new ATOM 0 HH11 ARG A 367 2.907 -9.660 8.363 1.00 52.34 H new ATOM 0 HH12 ARG A 367 2.348 -9.863 10.027 1.00 52.34 H new ATOM 0 HH21 ARG A 367 4.372 -7.315 11.329 1.00 52.53 H new ATOM 0 HH22 ARG A 367 3.166 -8.555 11.686 1.00 52.53 H new ATOM 187 N GLU A 368 4.718 -10.245 4.921 1.00 2.42 N ATOM 188 CA GLU A 368 3.686 -11.275 4.889 1.00 33.33 C ATOM 189 C GLU A 368 2.649 -10.961 5.916 1.00 52.35 C ATOM 190 O GLU A 368 2.978 -10.737 7.072 1.00 31.52 O ATOM 191 CB GLU A 368 4.242 -12.684 5.150 1.00 31.23 C ATOM 192 CG GLU A 368 5.305 -13.196 4.167 1.00 62.31 C ATOM 193 CD GLU A 368 6.615 -12.421 4.198 1.00 43.34 C ATOM 194 OE1 GLU A 368 7.302 -12.419 5.252 1.00 73.12 O ATOM 195 OE2 GLU A 368 6.997 -11.845 3.167 1.00 64.04 O ATOM 0 H GLU A 368 5.519 -10.464 5.514 1.00 2.42 H new ATOM 0 HA GLU A 368 3.259 -11.275 3.886 1.00 33.33 H new ATOM 0 HB2 GLU A 368 4.669 -12.702 6.153 1.00 31.23 H new ATOM 0 HB3 GLU A 368 3.408 -13.386 5.146 1.00 31.23 H new ATOM 0 HG2 GLU A 368 5.511 -14.243 4.387 1.00 62.31 H new ATOM 0 HG3 GLU A 368 4.897 -13.157 3.157 1.00 62.31 H new ATOM 202 N ILE A 369 1.406 -10.913 5.514 1.00 73.41 N ATOM 203 CA ILE A 369 0.354 -10.572 6.418 1.00 64.44 C ATOM 204 C ILE A 369 -0.771 -11.515 6.141 1.00 42.12 C ATOM 205 O ILE A 369 -1.179 -11.649 5.005 1.00 43.43 O ATOM 206 CB ILE A 369 -0.126 -9.121 6.165 1.00 12.02 C ATOM 207 CG1 ILE A 369 1.074 -8.180 6.129 1.00 24.31 C ATOM 208 CG2 ILE A 369 -1.072 -8.689 7.285 1.00 54.33 C ATOM 209 CD1 ILE A 369 0.758 -6.794 5.688 1.00 65.30 C ATOM 0 H ILE A 369 1.102 -11.108 4.560 1.00 73.41 H new ATOM 0 HA ILE A 369 0.697 -10.642 7.450 1.00 64.44 H new ATOM 0 HB ILE A 369 -0.649 -9.080 5.210 1.00 12.02 H new ATOM 0 HG12 ILE A 369 1.518 -8.139 7.124 1.00 24.31 H new ATOM 0 HG13 ILE A 369 1.827 -8.598 5.461 1.00 24.31 H new ATOM 0 HG21 ILE A 369 -1.408 -7.668 7.104 1.00 54.33 H new ATOM 0 HG22 ILE A 369 -1.934 -9.355 7.310 1.00 54.33 H new ATOM 0 HG23 ILE A 369 -0.550 -8.735 8.241 1.00 54.33 H new ATOM 0 HD11 ILE A 369 1.668 -6.194 5.692 1.00 65.30 H new ATOM 0 HD12 ILE A 369 0.344 -6.818 4.680 1.00 65.30 H new ATOM 0 HD13 ILE A 369 0.030 -6.353 6.369 1.00 65.30 H new ATOM 216 N GLY A 370 -1.224 -12.213 7.141 1.00 12.32 N ATOM 217 CA GLY A 370 -2.308 -13.154 6.960 1.00 73.54 C ATOM 218 C GLY A 370 -1.933 -14.341 6.082 1.00 30.55 C ATOM 219 O GLY A 370 -2.792 -15.141 5.713 1.00 61.05 O ATOM 0 H GLY A 370 -0.864 -12.154 8.094 1.00 12.32 H new ATOM 0 HA2 GLY A 370 -2.630 -13.519 7.935 1.00 73.54 H new ATOM 0 HA3 GLY A 370 -3.159 -12.637 6.517 1.00 73.54 H new ATOM 223 N GLY A 371 -0.665 -14.458 5.750 1.00 20.31 N ATOM 224 CA GLY A 371 -0.224 -15.537 4.928 1.00 21.00 C ATOM 225 C GLY A 371 0.099 -15.103 3.526 1.00 50.12 C ATOM 226 O GLY A 371 0.738 -15.843 2.764 1.00 62.14 O ATOM 0 H GLY A 371 0.070 -13.814 6.042 1.00 20.31 H new ATOM 0 HA2 GLY A 371 0.659 -15.992 5.376 1.00 21.00 H new ATOM 0 HA3 GLY A 371 -0.997 -16.305 4.897 1.00 21.00 H new ATOM 230 N TYR A 372 -0.336 -13.924 3.171 1.00 71.20 N ATOM 231 CA TYR A 372 -0.101 -13.406 1.871 1.00 1.00 C ATOM 232 C TYR A 372 0.947 -12.326 1.925 1.00 11.43 C ATOM 233 O TYR A 372 1.000 -11.547 2.873 1.00 71.32 O ATOM 234 CB TYR A 372 -1.412 -12.926 1.206 1.00 34.24 C ATOM 235 CG TYR A 372 -2.257 -12.010 2.056 1.00 3.45 C ATOM 236 CD1 TYR A 372 -1.928 -10.690 2.217 1.00 60.11 C ATOM 237 CD2 TYR A 372 -3.390 -12.484 2.703 1.00 53.50 C ATOM 238 CE1 TYR A 372 -2.693 -9.859 2.991 1.00 41.22 C ATOM 239 CE2 TYR A 372 -4.165 -11.646 3.482 1.00 24.23 C ATOM 240 CZ TYR A 372 -3.808 -10.334 3.621 1.00 74.12 C ATOM 241 OH TYR A 372 -4.575 -9.481 4.388 1.00 14.04 O ATOM 0 H TYR A 372 -0.863 -13.302 3.784 1.00 71.20 H new ATOM 0 HA TYR A 372 0.283 -14.207 1.240 1.00 1.00 H new ATOM 0 HB2 TYR A 372 -1.164 -12.411 0.278 1.00 34.24 H new ATOM 0 HB3 TYR A 372 -2.007 -13.799 0.937 1.00 34.24 H new ATOM 0 HD1 TYR A 372 -1.050 -10.298 1.725 1.00 60.11 H new ATOM 0 HD2 TYR A 372 -3.670 -13.522 2.596 1.00 53.50 H new ATOM 0 HE1 TYR A 372 -2.413 -8.822 3.104 1.00 41.22 H new ATOM 0 HE2 TYR A 372 -5.047 -12.025 3.977 1.00 24.23 H new ATOM 0 HH TYR A 372 -5.333 -9.974 4.767 1.00 14.04 H new ATOM 251 N THR A 373 1.788 -12.299 0.946 1.00 13.02 N ATOM 252 CA THR A 373 2.834 -11.331 0.898 1.00 64.42 C ATOM 253 C THR A 373 2.309 -10.031 0.312 1.00 32.10 C ATOM 254 O THR A 373 1.801 -10.010 -0.811 1.00 71.30 O ATOM 255 CB THR A 373 4.010 -11.851 0.042 1.00 52.05 C ATOM 256 OG1 THR A 373 4.446 -13.125 0.556 1.00 3.42 O ATOM 257 CG2 THR A 373 5.184 -10.872 0.071 1.00 73.42 C ATOM 0 H THR A 373 1.771 -12.946 0.157 1.00 13.02 H new ATOM 0 HA THR A 373 3.190 -11.152 1.913 1.00 64.42 H new ATOM 0 HB THR A 373 3.668 -11.954 -0.988 1.00 52.05 H new ATOM 0 HG1 THR A 373 5.191 -13.459 0.014 1.00 3.42 H new ATOM 0 HG21 THR A 373 5.998 -11.262 -0.539 1.00 73.42 H new ATOM 0 HG22 THR A 373 4.864 -9.908 -0.324 1.00 73.42 H new ATOM 0 HG23 THR A 373 5.528 -10.747 1.098 1.00 73.42 H new ATOM 263 N TYR A 374 2.390 -8.972 1.074 1.00 14.31 N ATOM 264 CA TYR A 374 2.030 -7.694 0.581 1.00 21.20 C ATOM 265 C TYR A 374 3.234 -7.054 0.003 1.00 75.31 C ATOM 266 O TYR A 374 4.297 -7.092 0.606 1.00 61.42 O ATOM 267 CB TYR A 374 1.462 -6.818 1.669 1.00 74.30 C ATOM 268 CG TYR A 374 0.027 -6.522 1.440 1.00 50.44 C ATOM 269 CD1 TYR A 374 -0.349 -5.662 0.419 1.00 62.40 C ATOM 270 CD2 TYR A 374 -0.957 -7.088 2.216 1.00 72.01 C ATOM 271 CE1 TYR A 374 -1.650 -5.373 0.176 1.00 75.22 C ATOM 272 CE2 TYR A 374 -2.291 -6.793 1.973 1.00 62.34 C ATOM 273 CZ TYR A 374 -2.626 -5.938 0.957 1.00 11.34 C ATOM 274 OH TYR A 374 -3.951 -5.661 0.712 1.00 42.42 O ATOM 0 H TYR A 374 2.706 -8.983 2.044 1.00 14.31 H new ATOM 0 HA TYR A 374 1.258 -7.818 -0.179 1.00 21.20 H new ATOM 0 HB2 TYR A 374 1.583 -7.311 2.634 1.00 74.30 H new ATOM 0 HB3 TYR A 374 2.023 -5.885 1.715 1.00 74.30 H new ATOM 0 HD1 TYR A 374 0.415 -5.211 -0.198 1.00 62.40 H new ATOM 0 HD2 TYR A 374 -0.691 -7.763 3.016 1.00 72.01 H new ATOM 0 HE1 TYR A 374 -1.917 -4.702 -0.627 1.00 75.22 H new ATOM 0 HE2 TYR A 374 -3.063 -7.237 2.584 1.00 62.34 H new ATOM 0 HH TYR A 374 -4.049 -4.716 0.471 1.00 42.42 H new ATOM 284 N LYS A 375 3.095 -6.486 -1.152 1.00 23.40 N ATOM 285 CA LYS A 375 4.215 -5.884 -1.805 1.00 53.11 C ATOM 286 C LYS A 375 3.818 -4.528 -2.311 1.00 43.41 C ATOM 287 O LYS A 375 2.856 -4.406 -3.058 1.00 42.55 O ATOM 288 CB LYS A 375 4.652 -6.727 -3.002 1.00 42.22 C ATOM 289 CG LYS A 375 5.993 -6.301 -3.588 1.00 52.54 C ATOM 290 CD LYS A 375 6.266 -6.972 -4.917 1.00 72.55 C ATOM 291 CE LYS A 375 5.354 -6.452 -6.022 1.00 51.32 C ATOM 292 NZ LYS A 375 5.613 -7.141 -7.305 1.00 10.35 N ATOM 0 H LYS A 375 2.215 -6.426 -1.664 1.00 23.40 H new ATOM 0 HA LYS A 375 5.035 -5.809 -1.091 1.00 53.11 H new ATOM 0 HB2 LYS A 375 4.713 -7.772 -2.698 1.00 42.22 H new ATOM 0 HB3 LYS A 375 3.889 -6.665 -3.778 1.00 42.22 H new ATOM 0 HG2 LYS A 375 6.005 -5.219 -3.718 1.00 52.54 H new ATOM 0 HG3 LYS A 375 6.790 -6.547 -2.887 1.00 52.54 H new ATOM 0 HD2 LYS A 375 7.306 -6.807 -5.199 1.00 72.55 H new ATOM 0 HD3 LYS A 375 6.131 -8.049 -4.813 1.00 72.55 H new ATOM 0 HE2 LYS A 375 4.313 -6.596 -5.734 1.00 51.32 H new ATOM 0 HE3 LYS A 375 5.505 -5.380 -6.146 1.00 51.32 H new ATOM 0 HZ1 LYS A 375 4.976 -6.764 -8.036 1.00 10.35 H new ATOM 0 HZ2 LYS A 375 6.600 -6.983 -7.591 1.00 10.35 H new ATOM 0 HZ3 LYS A 375 5.445 -8.161 -7.191 1.00 10.35 H new ATOM 306 N VAL A 376 4.544 -3.541 -1.929 1.00 21.52 N ATOM 307 CA VAL A 376 4.317 -2.205 -2.394 1.00 41.24 C ATOM 308 C VAL A 376 5.567 -1.699 -3.086 1.00 24.44 C ATOM 309 O VAL A 376 6.668 -1.737 -2.519 1.00 24.13 O ATOM 310 CB VAL A 376 3.874 -1.236 -1.231 1.00 63.02 C ATOM 311 CG1 VAL A 376 4.882 -1.224 -0.115 1.00 70.31 C ATOM 312 CG2 VAL A 376 3.665 0.183 -1.738 1.00 4.23 C ATOM 0 H VAL A 376 5.324 -3.630 -1.277 1.00 21.52 H new ATOM 0 HA VAL A 376 3.492 -2.223 -3.106 1.00 41.24 H new ATOM 0 HB VAL A 376 2.927 -1.616 -0.849 1.00 63.02 H new ATOM 0 HG11 VAL A 376 4.547 -0.547 0.671 1.00 70.31 H new ATOM 0 HG12 VAL A 376 4.985 -2.230 0.293 1.00 70.31 H new ATOM 0 HG13 VAL A 376 5.845 -0.887 -0.498 1.00 70.31 H new ATOM 0 HG21 VAL A 376 3.360 0.824 -0.911 1.00 4.23 H new ATOM 0 HG22 VAL A 376 4.596 0.558 -2.164 1.00 4.23 H new ATOM 0 HG23 VAL A 376 2.889 0.185 -2.503 1.00 4.23 H new ATOM 318 N VAL A 377 5.428 -1.313 -4.323 1.00 42.34 N ATOM 319 CA VAL A 377 6.519 -0.723 -5.023 1.00 73.02 C ATOM 320 C VAL A 377 6.176 0.730 -5.224 1.00 42.21 C ATOM 321 O VAL A 377 5.197 1.063 -5.912 1.00 60.13 O ATOM 322 CB VAL A 377 6.786 -1.414 -6.380 1.00 20.32 C ATOM 323 CG1 VAL A 377 7.996 -0.796 -7.055 1.00 31.24 C ATOM 324 CG2 VAL A 377 7.001 -2.906 -6.181 1.00 4.23 C ATOM 0 H VAL A 377 4.567 -1.399 -4.862 1.00 42.34 H new ATOM 0 HA VAL A 377 7.435 -0.838 -4.443 1.00 73.02 H new ATOM 0 HB VAL A 377 5.916 -1.270 -7.020 1.00 20.32 H new ATOM 0 HG11 VAL A 377 8.173 -1.292 -8.009 1.00 31.24 H new ATOM 0 HG12 VAL A 377 7.815 0.265 -7.225 1.00 31.24 H new ATOM 0 HG13 VAL A 377 8.871 -0.917 -6.416 1.00 31.24 H new ATOM 0 HG21 VAL A 377 7.188 -3.379 -7.145 1.00 4.23 H new ATOM 0 HG22 VAL A 377 7.858 -3.066 -5.526 1.00 4.23 H new ATOM 0 HG23 VAL A 377 6.112 -3.345 -5.728 1.00 4.23 H new ATOM 330 N PHE A 378 6.968 1.583 -4.634 1.00 52.31 N ATOM 331 CA PHE A 378 6.685 2.998 -4.590 1.00 35.03 C ATOM 332 C PHE A 378 6.650 3.664 -5.948 1.00 51.34 C ATOM 333 O PHE A 378 7.588 3.561 -6.736 1.00 30.02 O ATOM 334 CB PHE A 378 7.606 3.715 -3.625 1.00 14.11 C ATOM 335 CG PHE A 378 7.416 3.286 -2.194 1.00 75.23 C ATOM 336 CD1 PHE A 378 8.142 2.229 -1.664 1.00 1.23 C ATOM 337 CD2 PHE A 378 6.517 3.944 -1.379 1.00 72.35 C ATOM 338 CE1 PHE A 378 7.972 1.845 -0.354 1.00 0.34 C ATOM 339 CE2 PHE A 378 6.341 3.561 -0.066 1.00 14.02 C ATOM 340 CZ PHE A 378 7.071 2.512 0.447 1.00 3.42 C ATOM 0 H PHE A 378 7.835 1.318 -4.166 1.00 52.31 H new ATOM 0 HA PHE A 378 5.667 3.085 -4.211 1.00 35.03 H new ATOM 0 HB2 PHE A 378 8.640 3.534 -3.918 1.00 14.11 H new ATOM 0 HB3 PHE A 378 7.437 4.789 -3.701 1.00 14.11 H new ATOM 0 HD1 PHE A 378 8.849 1.702 -2.287 1.00 1.23 H new ATOM 0 HD2 PHE A 378 5.944 4.769 -1.775 1.00 72.35 H new ATOM 0 HE1 PHE A 378 8.544 1.021 0.046 1.00 0.34 H new ATOM 0 HE2 PHE A 378 5.632 4.083 0.559 1.00 14.02 H new ATOM 0 HZ PHE A 378 6.937 2.213 1.476 1.00 3.42 H new ATOM 350 N TYR A 379 5.526 4.349 -6.180 1.00 35.24 N ATOM 351 CA TYR A 379 5.185 5.057 -7.415 1.00 60.25 C ATOM 352 C TYR A 379 4.828 4.126 -8.562 1.00 0.44 C ATOM 353 O TYR A 379 4.616 4.565 -9.689 1.00 21.23 O ATOM 354 CB TYR A 379 6.199 6.142 -7.804 1.00 34.34 C ATOM 355 CG TYR A 379 6.196 7.333 -6.850 1.00 51.44 C ATOM 356 CD1 TYR A 379 5.301 8.389 -7.032 1.00 15.31 C ATOM 357 CD2 TYR A 379 7.066 7.398 -5.775 1.00 45.43 C ATOM 358 CE1 TYR A 379 5.281 9.474 -6.167 1.00 41.24 C ATOM 359 CE2 TYR A 379 7.055 8.477 -4.904 1.00 72.40 C ATOM 360 CZ TYR A 379 6.164 9.509 -5.103 1.00 53.04 C ATOM 361 OH TYR A 379 6.152 10.585 -4.229 1.00 41.12 O ATOM 0 H TYR A 379 4.793 4.428 -5.475 1.00 35.24 H new ATOM 0 HA TYR A 379 4.268 5.599 -7.186 1.00 60.25 H new ATOM 0 HB2 TYR A 379 7.198 5.706 -7.828 1.00 34.34 H new ATOM 0 HB3 TYR A 379 5.979 6.491 -8.813 1.00 34.34 H new ATOM 0 HD1 TYR A 379 4.611 8.361 -7.862 1.00 15.31 H new ATOM 0 HD2 TYR A 379 7.767 6.593 -5.612 1.00 45.43 H new ATOM 0 HE1 TYR A 379 4.583 10.283 -6.323 1.00 41.24 H new ATOM 0 HE2 TYR A 379 7.743 8.508 -4.072 1.00 72.40 H new ATOM 0 HH TYR A 379 5.468 10.441 -3.542 1.00 41.12 H new ATOM 371 N GLU A 380 4.701 2.850 -8.262 1.00 10.31 N ATOM 372 CA GLU A 380 4.294 1.894 -9.254 1.00 74.51 C ATOM 373 C GLU A 380 2.968 1.233 -8.930 1.00 34.24 C ATOM 374 O GLU A 380 1.899 1.706 -9.345 1.00 54.44 O ATOM 375 CB GLU A 380 5.368 0.839 -9.531 1.00 21.45 C ATOM 376 CG GLU A 380 6.572 1.353 -10.271 1.00 35.04 C ATOM 377 CD GLU A 380 7.594 0.276 -10.524 1.00 53.34 C ATOM 378 OE1 GLU A 380 7.300 -0.663 -11.294 1.00 2.03 O ATOM 379 OE2 GLU A 380 8.707 0.366 -9.978 1.00 75.00 O ATOM 0 H GLU A 380 4.875 2.457 -7.337 1.00 10.31 H new ATOM 0 HA GLU A 380 4.154 2.474 -10.166 1.00 74.51 H new ATOM 0 HB2 GLU A 380 5.695 0.414 -8.582 1.00 21.45 H new ATOM 0 HB3 GLU A 380 4.922 0.028 -10.107 1.00 21.45 H new ATOM 0 HG2 GLU A 380 6.255 1.780 -11.223 1.00 35.04 H new ATOM 0 HG3 GLU A 380 7.031 2.158 -9.697 1.00 35.04 H new ATOM 386 N ASN A 381 3.028 0.185 -8.146 1.00 73.14 N ATOM 387 CA ASN A 381 1.881 -0.669 -7.887 1.00 3.44 C ATOM 388 C ASN A 381 2.073 -1.531 -6.651 1.00 74.13 C ATOM 389 O ASN A 381 3.196 -1.713 -6.167 1.00 23.04 O ATOM 390 CB ASN A 381 1.557 -1.550 -9.123 1.00 32.43 C ATOM 391 CG ASN A 381 2.804 -1.945 -9.919 1.00 21.22 C ATOM 392 OD1 ASN A 381 3.135 -1.304 -10.915 1.00 24.31 O ATOM 393 ND2 ASN A 381 3.527 -2.925 -9.472 1.00 65.22 N ATOM 0 H ASN A 381 3.878 -0.107 -7.663 1.00 73.14 H new ATOM 0 HA ASN A 381 1.033 -0.012 -7.694 1.00 3.44 H new ATOM 0 HB2 ASN A 381 1.042 -2.452 -8.794 1.00 32.43 H new ATOM 0 HB3 ASN A 381 0.871 -1.011 -9.777 1.00 32.43 H new ATOM 0 HD21 ASN A 381 4.392 -3.179 -9.949 1.00 65.22 H new ATOM 0 HD22 ASN A 381 3.230 -3.441 -8.644 1.00 65.22 H new ATOM 399 N VAL A 382 0.965 -2.054 -6.156 1.00 62.14 N ATOM 400 CA VAL A 382 0.925 -2.885 -4.957 1.00 60.45 C ATOM 401 C VAL A 382 0.310 -4.233 -5.292 1.00 52.42 C ATOM 402 O VAL A 382 -0.590 -4.315 -6.132 1.00 73.33 O ATOM 403 CB VAL A 382 0.079 -2.208 -3.828 1.00 43.42 C ATOM 404 CG1 VAL A 382 0.012 -3.060 -2.562 1.00 61.54 C ATOM 405 CG2 VAL A 382 0.643 -0.868 -3.499 1.00 73.21 C ATOM 0 H VAL A 382 0.049 -1.913 -6.581 1.00 62.14 H new ATOM 0 HA VAL A 382 1.947 -3.013 -4.600 1.00 60.45 H new ATOM 0 HB VAL A 382 -0.937 -2.102 -4.209 1.00 43.42 H new ATOM 0 HG11 VAL A 382 -0.586 -2.547 -1.809 1.00 61.54 H new ATOM 0 HG12 VAL A 382 -0.445 -4.022 -2.795 1.00 61.54 H new ATOM 0 HG13 VAL A 382 1.019 -3.220 -2.178 1.00 61.54 H new ATOM 0 HG21 VAL A 382 0.047 -0.406 -2.712 1.00 73.21 H new ATOM 0 HG22 VAL A 382 1.672 -0.980 -3.156 1.00 73.21 H new ATOM 0 HG23 VAL A 382 0.623 -0.237 -4.387 1.00 73.21 H new ATOM 411 N PHE A 383 0.799 -5.266 -4.655 1.00 5.22 N ATOM 412 CA PHE A 383 0.318 -6.613 -4.851 1.00 71.03 C ATOM 413 C PHE A 383 0.102 -7.321 -3.539 1.00 72.43 C ATOM 414 O PHE A 383 0.787 -7.054 -2.554 1.00 72.32 O ATOM 415 CB PHE A 383 1.286 -7.437 -5.714 1.00 42.13 C ATOM 416 CG PHE A 383 1.286 -7.081 -7.167 1.00 20.55 C ATOM 417 CD1 PHE A 383 1.992 -5.995 -7.633 1.00 12.33 C ATOM 418 CD2 PHE A 383 0.576 -7.849 -8.069 1.00 15.40 C ATOM 419 CE1 PHE A 383 1.991 -5.679 -8.968 1.00 12.24 C ATOM 420 CE2 PHE A 383 0.569 -7.540 -9.409 1.00 35.43 C ATOM 421 CZ PHE A 383 1.279 -6.450 -9.862 1.00 63.14 C ATOM 0 H PHE A 383 1.555 -5.195 -3.974 1.00 5.22 H new ATOM 0 HA PHE A 383 -0.637 -6.528 -5.369 1.00 71.03 H new ATOM 0 HB2 PHE A 383 2.296 -7.312 -5.323 1.00 42.13 H new ATOM 0 HB3 PHE A 383 1.033 -8.492 -5.612 1.00 42.13 H new ATOM 0 HD1 PHE A 383 2.553 -5.385 -6.940 1.00 12.33 H new ATOM 0 HD2 PHE A 383 0.018 -8.704 -7.717 1.00 15.40 H new ATOM 0 HE1 PHE A 383 2.549 -4.824 -9.320 1.00 12.24 H new ATOM 0 HE2 PHE A 383 0.009 -8.149 -10.103 1.00 35.43 H new ATOM 0 HZ PHE A 383 1.278 -6.201 -10.913 1.00 63.14 H new ATOM 431 N GLN A 384 -0.860 -8.191 -3.537 1.00 1.12 N ATOM 432 CA GLN A 384 -1.133 -9.066 -2.445 1.00 62.44 C ATOM 433 C GLN A 384 -0.979 -10.457 -2.987 1.00 63.22 C ATOM 434 O GLN A 384 -1.841 -10.926 -3.736 1.00 33.11 O ATOM 435 CB GLN A 384 -2.554 -8.876 -1.950 1.00 50.04 C ATOM 436 CG GLN A 384 -2.925 -9.745 -0.770 1.00 23.44 C ATOM 437 CD GLN A 384 -4.387 -9.657 -0.453 1.00 12.51 C ATOM 438 OE1 GLN A 384 -5.199 -10.412 -0.987 1.00 1.52 O ATOM 439 NE2 GLN A 384 -4.738 -8.751 0.397 1.00 54.33 N ATOM 0 H GLN A 384 -1.497 -8.314 -4.324 1.00 1.12 H new ATOM 0 HA GLN A 384 -0.462 -8.870 -1.609 1.00 62.44 H new ATOM 0 HB2 GLN A 384 -2.693 -7.831 -1.674 1.00 50.04 H new ATOM 0 HB3 GLN A 384 -3.242 -9.084 -2.769 1.00 50.04 H new ATOM 0 HG2 GLN A 384 -2.661 -10.781 -0.984 1.00 23.44 H new ATOM 0 HG3 GLN A 384 -2.345 -9.442 0.102 1.00 23.44 H new ATOM 0 HE21 GLN A 384 -4.033 -8.145 0.817 1.00 54.33 H new ATOM 0 HE22 GLN A 384 -5.720 -8.641 0.649 1.00 54.33 H new ATOM 447 N ASP A 385 0.131 -11.085 -2.660 1.00 5.42 N ATOM 448 CA ASP A 385 0.507 -12.413 -3.174 1.00 14.42 C ATOM 449 C ASP A 385 0.836 -12.312 -4.652 1.00 75.12 C ATOM 450 O ASP A 385 1.983 -12.091 -5.032 1.00 21.24 O ATOM 451 CB ASP A 385 -0.594 -13.468 -2.941 1.00 40.14 C ATOM 452 CG ASP A 385 -0.188 -14.861 -3.389 1.00 42.43 C ATOM 453 OD1 ASP A 385 0.450 -15.585 -2.613 1.00 42.04 O ATOM 454 OD2 ASP A 385 -0.524 -15.255 -4.525 1.00 62.34 O ATOM 0 H ASP A 385 0.819 -10.691 -2.018 1.00 5.42 H new ATOM 0 HA ASP A 385 1.385 -12.745 -2.621 1.00 14.42 H new ATOM 0 HB2 ASP A 385 -0.847 -13.493 -1.881 1.00 40.14 H new ATOM 0 HB3 ASP A 385 -1.495 -13.169 -3.476 1.00 40.14 H new ATOM 459 N SER A 386 -0.177 -12.418 -5.468 1.00 65.01 N ATOM 460 CA SER A 386 -0.043 -12.273 -6.887 1.00 2.40 C ATOM 461 C SER A 386 -1.177 -11.393 -7.404 1.00 11.31 C ATOM 462 O SER A 386 -1.240 -11.071 -8.590 1.00 40.45 O ATOM 463 CB SER A 386 -0.082 -13.645 -7.565 1.00 12.35 C ATOM 464 OG SER A 386 0.903 -14.516 -7.016 1.00 45.35 O ATOM 0 H SER A 386 -1.130 -12.610 -5.159 1.00 65.01 H new ATOM 0 HA SER A 386 0.914 -11.806 -7.119 1.00 2.40 H new ATOM 0 HB2 SER A 386 -1.071 -14.087 -7.443 1.00 12.35 H new ATOM 0 HB3 SER A 386 0.086 -13.530 -8.636 1.00 12.35 H new ATOM 0 HG SER A 386 0.581 -14.878 -6.164 1.00 45.35 H new ATOM 470 N ILE A 387 -2.066 -10.993 -6.494 1.00 61.53 N ATOM 471 CA ILE A 387 -3.206 -10.162 -6.853 1.00 11.33 C ATOM 472 C ILE A 387 -2.784 -8.702 -6.900 1.00 74.24 C ATOM 473 O ILE A 387 -2.131 -8.211 -5.974 1.00 41.14 O ATOM 474 CB ILE A 387 -4.371 -10.317 -5.825 1.00 41.12 C ATOM 475 CG1 ILE A 387 -4.813 -11.780 -5.741 1.00 45.31 C ATOM 476 CG2 ILE A 387 -5.557 -9.420 -6.199 1.00 44.12 C ATOM 477 CD1 ILE A 387 -5.928 -12.035 -4.750 1.00 23.43 C ATOM 0 H ILE A 387 -2.015 -11.233 -5.504 1.00 61.53 H new ATOM 0 HA ILE A 387 -3.558 -10.487 -7.832 1.00 11.33 H new ATOM 0 HB ILE A 387 -4.006 -10.004 -4.847 1.00 41.12 H new ATOM 0 HG12 ILE A 387 -5.138 -12.107 -6.729 1.00 45.31 H new ATOM 0 HG13 ILE A 387 -3.953 -12.393 -5.469 1.00 45.31 H new ATOM 0 HG21 ILE A 387 -6.354 -9.547 -5.467 1.00 44.12 H new ATOM 0 HG22 ILE A 387 -5.236 -8.378 -6.209 1.00 44.12 H new ATOM 0 HG23 ILE A 387 -5.924 -9.696 -7.187 1.00 44.12 H new ATOM 0 HD11 ILE A 387 -6.181 -13.095 -4.752 1.00 23.43 H new ATOM 0 HD12 ILE A 387 -5.602 -11.742 -3.752 1.00 23.43 H new ATOM 0 HD13 ILE A 387 -6.805 -11.452 -5.031 1.00 23.43 H new ATOM 484 N LEU A 388 -3.162 -8.017 -7.953 1.00 22.41 N ATOM 485 CA LEU A 388 -2.862 -6.617 -8.101 1.00 52.44 C ATOM 486 C LEU A 388 -3.794 -5.833 -7.226 1.00 72.32 C ATOM 487 O LEU A 388 -5.014 -5.857 -7.405 1.00 54.25 O ATOM 488 CB LEU A 388 -3.008 -6.180 -9.569 1.00 42.43 C ATOM 489 CG LEU A 388 -2.827 -4.680 -9.862 1.00 50.24 C ATOM 490 CD1 LEU A 388 -1.440 -4.193 -9.468 1.00 61.34 C ATOM 491 CD2 LEU A 388 -3.107 -4.381 -11.325 1.00 23.53 C ATOM 0 H LEU A 388 -3.687 -8.417 -8.731 1.00 22.41 H new ATOM 0 HA LEU A 388 -1.830 -6.432 -7.802 1.00 52.44 H new ATOM 0 HB2 LEU A 388 -2.281 -6.733 -10.163 1.00 42.43 H new ATOM 0 HB3 LEU A 388 -3.997 -6.478 -9.917 1.00 42.43 H new ATOM 0 HG LEU A 388 -3.550 -4.137 -9.253 1.00 50.24 H new ATOM 0 HD11 LEU A 388 -1.351 -3.130 -9.690 1.00 61.34 H new ATOM 0 HD12 LEU A 388 -1.287 -4.355 -8.401 1.00 61.34 H new ATOM 0 HD13 LEU A 388 -0.687 -4.745 -10.030 1.00 61.34 H new ATOM 0 HD21 LEU A 388 -2.973 -3.315 -11.511 1.00 23.53 H new ATOM 0 HD22 LEU A 388 -2.417 -4.948 -11.951 1.00 23.53 H new ATOM 0 HD23 LEU A 388 -4.132 -4.665 -11.565 1.00 23.53 H new ATOM 499 N LEU A 389 -3.239 -5.180 -6.265 1.00 14.50 N ATOM 500 CA LEU A 389 -3.981 -4.455 -5.340 1.00 74.10 C ATOM 501 C LEU A 389 -4.372 -3.133 -5.954 1.00 34.55 C ATOM 502 O LEU A 389 -5.534 -2.893 -6.204 1.00 42.34 O ATOM 503 CB LEU A 389 -3.103 -4.257 -4.152 1.00 45.52 C ATOM 504 CG LEU A 389 -3.748 -4.229 -2.807 1.00 45.22 C ATOM 505 CD1 LEU A 389 -4.799 -3.148 -2.674 1.00 65.02 C ATOM 506 CD2 LEU A 389 -4.288 -5.591 -2.438 1.00 64.11 C ATOM 0 H LEU A 389 -2.231 -5.145 -6.112 1.00 14.50 H new ATOM 0 HA LEU A 389 -4.896 -4.971 -5.048 1.00 74.10 H new ATOM 0 HB2 LEU A 389 -2.358 -5.053 -4.150 1.00 45.52 H new ATOM 0 HB3 LEU A 389 -2.566 -3.318 -4.285 1.00 45.52 H new ATOM 0 HG LEU A 389 -2.969 -3.970 -2.091 1.00 45.22 H new ATOM 0 HD11 LEU A 389 -5.230 -3.181 -1.673 1.00 65.02 H new ATOM 0 HD12 LEU A 389 -4.341 -2.173 -2.840 1.00 65.02 H new ATOM 0 HD13 LEU A 389 -5.584 -3.311 -3.413 1.00 65.02 H new ATOM 0 HD21 LEU A 389 -4.753 -5.543 -1.453 1.00 64.11 H new ATOM 0 HD22 LEU A 389 -5.029 -5.900 -3.175 1.00 64.11 H new ATOM 0 HD23 LEU A 389 -3.472 -6.313 -2.419 1.00 64.11 H new ATOM 514 N GLY A 390 -3.412 -2.295 -6.219 1.00 15.22 N ATOM 515 CA GLY A 390 -3.736 -1.041 -6.785 1.00 54.22 C ATOM 516 C GLY A 390 -2.558 -0.414 -7.435 1.00 4.41 C ATOM 517 O GLY A 390 -1.409 -0.789 -7.154 1.00 54.35 O ATOM 0 H GLY A 390 -2.420 -2.462 -6.052 1.00 15.22 H new ATOM 0 HA2 GLY A 390 -4.533 -1.167 -7.518 1.00 54.22 H new ATOM 0 HA3 GLY A 390 -4.119 -0.379 -6.009 1.00 54.22 H new ATOM 521 N ASN A 391 -2.821 0.506 -8.302 1.00 75.23 N ATOM 522 CA ASN A 391 -1.804 1.286 -8.943 1.00 2.22 C ATOM 523 C ASN A 391 -1.813 2.639 -8.308 1.00 2.20 C ATOM 524 O ASN A 391 -2.871 3.133 -7.911 1.00 23.52 O ATOM 525 CB ASN A 391 -2.047 1.414 -10.456 1.00 60.40 C ATOM 526 CG ASN A 391 -1.892 0.105 -11.210 1.00 41.31 C ATOM 527 OD1 ASN A 391 -2.965 -0.631 -11.345 1.00 3.24 O flip ATOM 528 ND2 ASN A 391 -0.797 -0.234 -11.673 1.00 61.31 N flip ATOM 0 H ASN A 391 -3.769 0.745 -8.594 1.00 75.23 H new ATOM 0 HA ASN A 391 -0.839 0.795 -8.820 1.00 2.22 H new ATOM 0 HB2 ASN A 391 -3.052 1.803 -10.622 1.00 60.40 H new ATOM 0 HB3 ASN A 391 -1.350 2.145 -10.867 1.00 60.40 H new ATOM 0 HD21 ASN A 391 0.018 0.367 -11.548 1.00 61.31 H new ATOM 0 HD22 ASN A 391 -0.708 -1.114 -12.181 1.00 61.31 H new ATOM 534 N PHE A 392 -0.671 3.223 -8.191 1.00 34.14 N ATOM 535 CA PHE A 392 -0.529 4.513 -7.552 1.00 3.13 C ATOM 536 C PHE A 392 -1.216 5.597 -8.367 1.00 44.43 C ATOM 537 O PHE A 392 -0.840 5.863 -9.510 1.00 2.20 O ATOM 538 CB PHE A 392 0.949 4.832 -7.329 1.00 14.42 C ATOM 539 CG PHE A 392 1.639 3.988 -6.275 1.00 51.31 C ATOM 540 CD1 PHE A 392 1.501 2.606 -6.239 1.00 50.33 C ATOM 541 CD2 PHE A 392 2.433 4.591 -5.326 1.00 4.11 C ATOM 542 CE1 PHE A 392 2.141 1.855 -5.285 1.00 75.24 C ATOM 543 CE2 PHE A 392 3.087 3.843 -4.364 1.00 23.14 C ATOM 544 CZ PHE A 392 2.943 2.472 -4.347 1.00 2.34 C ATOM 0 H PHE A 392 0.205 2.828 -8.534 1.00 34.14 H new ATOM 0 HA PHE A 392 -1.017 4.478 -6.578 1.00 3.13 H new ATOM 0 HB2 PHE A 392 1.478 4.708 -8.274 1.00 14.42 H new ATOM 0 HB3 PHE A 392 1.040 5.881 -7.048 1.00 14.42 H new ATOM 0 HD1 PHE A 392 0.880 2.115 -6.974 1.00 50.33 H new ATOM 0 HD2 PHE A 392 2.547 5.665 -5.333 1.00 4.11 H new ATOM 0 HE1 PHE A 392 2.017 0.782 -5.269 1.00 75.24 H new ATOM 0 HE2 PHE A 392 3.709 4.331 -3.628 1.00 23.14 H new ATOM 0 HZ PHE A 392 3.456 1.883 -3.602 1.00 2.34 H new ATOM 554 N ALA A 393 -2.225 6.205 -7.786 1.00 74.45 N ATOM 555 CA ALA A 393 -2.979 7.216 -8.482 1.00 72.14 C ATOM 556 C ALA A 393 -2.576 8.607 -8.034 1.00 75.42 C ATOM 557 O ALA A 393 -2.326 9.484 -8.859 1.00 23.52 O ATOM 558 CB ALA A 393 -4.468 7.003 -8.264 1.00 74.13 C ATOM 0 H ALA A 393 -2.540 6.016 -6.835 1.00 74.45 H new ATOM 0 HA ALA A 393 -2.759 7.129 -9.546 1.00 72.14 H new ATOM 0 HB1 ALA A 393 -5.027 7.773 -8.795 1.00 74.13 H new ATOM 0 HB2 ALA A 393 -4.754 6.021 -8.642 1.00 74.13 H new ATOM 0 HB3 ALA A 393 -4.692 7.061 -7.199 1.00 74.13 H new ATOM 564 N SER A 394 -2.507 8.817 -6.734 1.00 73.33 N ATOM 565 CA SER A 394 -2.148 10.114 -6.179 1.00 74.43 C ATOM 566 C SER A 394 -1.664 9.950 -4.756 1.00 34.33 C ATOM 567 O SER A 394 -2.183 9.103 -4.017 1.00 34.12 O ATOM 568 CB SER A 394 -3.357 11.062 -6.192 1.00 23.22 C ATOM 569 OG SER A 394 -3.846 11.271 -7.515 1.00 52.33 O ATOM 0 H SER A 394 -2.696 8.100 -6.034 1.00 73.33 H new ATOM 0 HA SER A 394 -1.354 10.540 -6.793 1.00 74.43 H new ATOM 0 HB2 SER A 394 -4.151 10.648 -5.571 1.00 23.22 H new ATOM 0 HB3 SER A 394 -3.075 12.019 -5.752 1.00 23.22 H new ATOM 0 HG SER A 394 -4.616 11.877 -7.487 1.00 52.33 H new ATOM 575 N GLN A 395 -0.656 10.703 -4.378 1.00 43.02 N ATOM 576 CA GLN A 395 -0.172 10.670 -3.027 1.00 32.50 C ATOM 577 C GLN A 395 0.289 12.039 -2.557 1.00 72.30 C ATOM 578 O GLN A 395 0.912 12.804 -3.321 1.00 74.13 O ATOM 579 CB GLN A 395 0.927 9.658 -2.921 1.00 12.33 C ATOM 580 CG GLN A 395 2.050 9.868 -3.900 1.00 64.33 C ATOM 581 CD GLN A 395 3.002 8.726 -3.913 1.00 2.10 C ATOM 582 OE1 GLN A 395 3.961 8.693 -3.169 1.00 2.35 O ATOM 583 NE2 GLN A 395 2.765 7.795 -4.780 1.00 10.30 N ATOM 0 H GLN A 395 -0.158 11.346 -4.993 1.00 43.02 H new ATOM 0 HA GLN A 395 -0.992 10.379 -2.370 1.00 32.50 H new ATOM 0 HB2 GLN A 395 1.332 9.681 -1.909 1.00 12.33 H new ATOM 0 HB3 GLN A 395 0.507 8.664 -3.073 1.00 12.33 H new ATOM 0 HG2 GLN A 395 1.638 10.007 -4.899 1.00 64.33 H new ATOM 0 HG3 GLN A 395 2.585 10.783 -3.646 1.00 64.33 H new ATOM 0 HE21 GLN A 395 1.948 7.860 -5.387 1.00 10.30 H new ATOM 0 HE22 GLN A 395 3.395 6.997 -4.856 1.00 10.30 H new ATOM 591 N GLU A 396 -0.014 12.342 -1.316 1.00 34.14 N ATOM 592 CA GLU A 396 0.345 13.604 -0.721 1.00 24.00 C ATOM 593 C GLU A 396 1.068 13.383 0.589 1.00 1.01 C ATOM 594 O GLU A 396 0.517 12.772 1.527 1.00 32.23 O ATOM 595 CB GLU A 396 -0.892 14.488 -0.510 1.00 75.33 C ATOM 596 CG GLU A 396 -0.590 15.809 0.195 1.00 4.22 C ATOM 597 CD GLU A 396 -1.789 16.709 0.293 1.00 72.33 C ATOM 598 OE1 GLU A 396 -2.577 16.592 1.257 1.00 23.52 O ATOM 599 OE2 GLU A 396 -1.965 17.554 -0.593 1.00 5.51 O ATOM 0 H GLU A 396 -0.519 11.715 -0.689 1.00 34.14 H new ATOM 0 HA GLU A 396 1.015 14.122 -1.407 1.00 24.00 H new ATOM 0 HB2 GLU A 396 -1.346 14.699 -1.478 1.00 75.33 H new ATOM 0 HB3 GLU A 396 -1.628 13.935 0.074 1.00 75.33 H new ATOM 0 HG2 GLU A 396 -0.215 15.602 1.197 1.00 4.22 H new ATOM 0 HG3 GLU A 396 0.204 16.328 -0.342 1.00 4.22 H new ATOM 606 N GLY A 397 2.290 13.854 0.650 1.00 55.43 N ATOM 607 CA GLY A 397 3.060 13.747 1.847 1.00 50.53 C ATOM 608 C GLY A 397 3.556 12.352 2.064 1.00 75.23 C ATOM 609 O GLY A 397 4.512 11.921 1.427 1.00 33.04 O ATOM 0 H GLY A 397 2.767 14.316 -0.124 1.00 55.43 H new ATOM 0 HA2 GLY A 397 3.907 14.431 1.797 1.00 50.53 H new ATOM 0 HA3 GLY A 397 2.453 14.054 2.699 1.00 50.53 H new ATOM 613 N ASN A 398 2.893 11.644 2.931 1.00 73.31 N ATOM 614 CA ASN A 398 3.273 10.286 3.269 1.00 22.12 C ATOM 615 C ASN A 398 2.054 9.375 3.221 1.00 12.11 C ATOM 616 O ASN A 398 2.075 8.248 3.718 1.00 73.24 O ATOM 617 CB ASN A 398 3.910 10.261 4.666 1.00 4.12 C ATOM 618 CG ASN A 398 2.959 10.695 5.780 1.00 43.41 C ATOM 619 OD1 ASN A 398 2.832 11.879 6.079 1.00 35.42 O ATOM 620 ND2 ASN A 398 2.332 9.745 6.415 1.00 12.13 N ATOM 0 H ASN A 398 2.071 11.984 3.430 1.00 73.31 H new ATOM 0 HA ASN A 398 4.002 9.924 2.544 1.00 22.12 H new ATOM 0 HB2 ASN A 398 4.266 9.252 4.876 1.00 4.12 H new ATOM 0 HB3 ASN A 398 4.783 10.914 4.670 1.00 4.12 H new ATOM 0 HD21 ASN A 398 1.710 9.974 7.190 1.00 12.13 H new ATOM 0 HD22 ASN A 398 2.463 8.773 6.137 1.00 12.13 H new ATOM 626 N VAL A 399 1.004 9.853 2.595 1.00 52.13 N ATOM 627 CA VAL A 399 -0.230 9.105 2.490 1.00 72.32 C ATOM 628 C VAL A 399 -0.455 8.837 1.027 1.00 21.35 C ATOM 629 O VAL A 399 -0.558 9.774 0.220 1.00 75.31 O ATOM 630 CB VAL A 399 -1.423 9.891 3.083 1.00 61.11 C ATOM 631 CG1 VAL A 399 -2.691 9.063 3.037 1.00 0.24 C ATOM 632 CG2 VAL A 399 -1.124 10.331 4.512 1.00 3.23 C ATOM 0 H VAL A 399 0.979 10.768 2.145 1.00 52.13 H new ATOM 0 HA VAL A 399 -0.156 8.177 3.056 1.00 72.32 H new ATOM 0 HB VAL A 399 -1.575 10.782 2.474 1.00 61.11 H new ATOM 0 HG11 VAL A 399 -3.516 9.637 3.459 1.00 0.24 H new ATOM 0 HG12 VAL A 399 -2.920 8.806 2.003 1.00 0.24 H new ATOM 0 HG13 VAL A 399 -2.551 8.150 3.616 1.00 0.24 H new ATOM 0 HG21 VAL A 399 -1.977 10.882 4.909 1.00 3.23 H new ATOM 0 HG22 VAL A 399 -0.939 9.454 5.132 1.00 3.23 H new ATOM 0 HG23 VAL A 399 -0.243 10.972 4.518 1.00 3.23 H new ATOM 638 N LEU A 400 -0.500 7.585 0.672 1.00 3.14 N ATOM 639 CA LEU A 400 -0.496 7.206 -0.708 1.00 32.41 C ATOM 640 C LEU A 400 -1.799 6.456 -1.076 1.00 41.01 C ATOM 641 O LEU A 400 -2.201 5.516 -0.381 1.00 2.40 O ATOM 642 CB LEU A 400 0.721 6.285 -0.968 1.00 13.33 C ATOM 643 CG LEU A 400 2.095 6.639 -0.276 1.00 52.51 C ATOM 644 CD1 LEU A 400 3.203 5.714 -0.745 1.00 14.04 C ATOM 645 CD2 LEU A 400 2.514 8.083 -0.460 1.00 21.24 C ATOM 0 H LEU A 400 -0.540 6.804 1.327 1.00 3.14 H new ATOM 0 HA LEU A 400 -0.431 8.103 -1.323 1.00 32.41 H new ATOM 0 HB2 LEU A 400 0.445 5.276 -0.660 1.00 13.33 H new ATOM 0 HB3 LEU A 400 0.890 6.255 -2.044 1.00 13.33 H new ATOM 0 HG LEU A 400 1.928 6.492 0.791 1.00 52.51 H new ATOM 0 HD11 LEU A 400 4.136 5.984 -0.250 1.00 14.04 H new ATOM 0 HD12 LEU A 400 2.946 4.684 -0.498 1.00 14.04 H new ATOM 0 HD13 LEU A 400 3.324 5.809 -1.824 1.00 14.04 H new ATOM 0 HD21 LEU A 400 3.466 8.252 0.042 1.00 21.24 H new ATOM 0 HD22 LEU A 400 2.621 8.298 -1.523 1.00 21.24 H new ATOM 0 HD23 LEU A 400 1.756 8.739 -0.032 1.00 21.24 H new ATOM 653 N LYS A 401 -2.440 6.871 -2.162 1.00 4.32 N ATOM 654 CA LYS A 401 -3.663 6.226 -2.662 1.00 43.14 C ATOM 655 C LYS A 401 -3.405 5.382 -3.889 1.00 11.15 C ATOM 656 O LYS A 401 -2.887 5.877 -4.913 1.00 2.30 O ATOM 657 CB LYS A 401 -4.770 7.240 -2.972 1.00 63.22 C ATOM 658 CG LYS A 401 -5.660 7.617 -1.804 1.00 73.23 C ATOM 659 CD LYS A 401 -6.435 6.392 -1.320 1.00 52.23 C ATOM 660 CE LYS A 401 -7.537 6.751 -0.334 1.00 73.43 C ATOM 661 NZ LYS A 401 -8.559 7.656 -0.921 1.00 14.44 N ATOM 0 H LYS A 401 -2.132 7.663 -2.726 1.00 4.32 H new ATOM 0 HA LYS A 401 -3.999 5.576 -1.854 1.00 43.14 H new ATOM 0 HB2 LYS A 401 -4.308 8.147 -3.361 1.00 63.22 H new ATOM 0 HB3 LYS A 401 -5.396 6.835 -3.767 1.00 63.22 H new ATOM 0 HG2 LYS A 401 -5.056 8.020 -0.991 1.00 73.23 H new ATOM 0 HG3 LYS A 401 -6.355 8.402 -2.104 1.00 73.23 H new ATOM 0 HD2 LYS A 401 -6.872 5.880 -2.178 1.00 52.23 H new ATOM 0 HD3 LYS A 401 -5.745 5.692 -0.849 1.00 52.23 H new ATOM 0 HE2 LYS A 401 -8.022 5.838 0.011 1.00 73.43 H new ATOM 0 HE3 LYS A 401 -7.095 7.228 0.541 1.00 73.43 H new ATOM 0 HZ1 LYS A 401 -9.409 7.654 -0.322 1.00 14.44 H new ATOM 0 HZ2 LYS A 401 -8.177 8.622 -0.976 1.00 14.44 H new ATOM 0 HZ3 LYS A 401 -8.807 7.327 -1.876 1.00 14.44 H new ATOM 675 N TYR A 402 -3.754 4.114 -3.798 1.00 4.21 N ATOM 676 CA TYR A 402 -3.587 3.205 -4.917 1.00 51.03 C ATOM 677 C TYR A 402 -4.947 2.689 -5.300 1.00 33.44 C ATOM 678 O TYR A 402 -5.700 2.287 -4.432 1.00 14.52 O ATOM 679 CB TYR A 402 -2.730 2.002 -4.536 1.00 64.41 C ATOM 680 CG TYR A 402 -1.630 2.287 -3.570 1.00 32.10 C ATOM 681 CD1 TYR A 402 -0.742 3.306 -3.780 1.00 3.43 C ATOM 682 CD2 TYR A 402 -1.491 1.525 -2.432 1.00 75.32 C ATOM 683 CE1 TYR A 402 0.257 3.555 -2.894 1.00 35.50 C ATOM 684 CE2 TYR A 402 -0.482 1.770 -1.546 1.00 3.53 C ATOM 685 CZ TYR A 402 0.386 2.785 -1.785 1.00 74.14 C ATOM 686 OH TYR A 402 1.407 3.019 -0.916 1.00 55.31 O ATOM 0 H TYR A 402 -4.155 3.689 -2.962 1.00 4.21 H new ATOM 0 HA TYR A 402 -3.101 3.742 -5.731 1.00 51.03 H new ATOM 0 HB2 TYR A 402 -3.377 1.236 -4.110 1.00 64.41 H new ATOM 0 HB3 TYR A 402 -2.296 1.583 -5.444 1.00 64.41 H new ATOM 0 HD1 TYR A 402 -0.837 3.921 -4.663 1.00 3.43 H new ATOM 0 HD2 TYR A 402 -2.189 0.724 -2.238 1.00 75.32 H new ATOM 0 HE1 TYR A 402 0.948 4.366 -3.073 1.00 35.50 H new ATOM 0 HE2 TYR A 402 -0.375 1.160 -0.661 1.00 3.53 H new ATOM 0 HH TYR A 402 2.263 2.897 -1.377 1.00 55.31 H new ATOM 696 N GLU A 403 -5.259 2.697 -6.555 1.00 72.41 N ATOM 697 CA GLU A 403 -6.538 2.228 -7.043 1.00 4.45 C ATOM 698 C GLU A 403 -6.378 1.607 -8.410 1.00 63.04 C ATOM 699 O GLU A 403 -5.263 1.565 -8.939 1.00 5.14 O ATOM 700 CB GLU A 403 -7.603 3.336 -7.026 1.00 0.54 C ATOM 701 CG GLU A 403 -7.224 4.600 -7.760 1.00 52.13 C ATOM 702 CD GLU A 403 -8.315 5.638 -7.696 1.00 15.34 C ATOM 703 OE1 GLU A 403 -8.498 6.259 -6.625 1.00 0.15 O ATOM 704 OE2 GLU A 403 -9.016 5.839 -8.707 1.00 61.50 O ATOM 0 H GLU A 403 -4.633 3.031 -7.288 1.00 72.41 H new ATOM 0 HA GLU A 403 -6.900 1.456 -6.364 1.00 4.45 H new ATOM 0 HB2 GLU A 403 -8.521 2.943 -7.462 1.00 0.54 H new ATOM 0 HB3 GLU A 403 -7.825 3.589 -5.989 1.00 0.54 H new ATOM 0 HG2 GLU A 403 -6.309 5.008 -7.330 1.00 52.13 H new ATOM 0 HG3 GLU A 403 -7.009 4.364 -8.802 1.00 52.13 H new ATOM 711 N ASN A 404 -7.473 1.087 -8.958 1.00 23.22 N ATOM 712 CA ASN A 404 -7.491 0.484 -10.302 1.00 1.21 C ATOM 713 C ASN A 404 -6.658 -0.789 -10.346 1.00 61.15 C ATOM 714 O ASN A 404 -6.018 -1.088 -11.354 1.00 30.24 O ATOM 715 CB ASN A 404 -6.970 1.486 -11.370 1.00 54.21 C ATOM 716 CG ASN A 404 -7.781 2.766 -11.474 1.00 34.11 C ATOM 717 OD1 ASN A 404 -9.064 2.691 -11.232 1.00 24.55 O flip ATOM 718 ND2 ASN A 404 -7.242 3.823 -11.796 1.00 73.14 N flip ATOM 0 H ASN A 404 -8.378 1.068 -8.488 1.00 23.22 H new ATOM 0 HA ASN A 404 -8.527 0.232 -10.529 1.00 1.21 H new ATOM 0 HB2 ASN A 404 -5.936 1.742 -11.137 1.00 54.21 H new ATOM 0 HB3 ASN A 404 -6.965 0.993 -12.342 1.00 54.21 H new ATOM 0 HD21 ASN A 404 -6.239 3.849 -11.978 1.00 73.14 H new ATOM 0 HD22 ASN A 404 -7.798 4.674 -11.881 1.00 73.14 H new ATOM 724 N GLY A 405 -6.693 -1.548 -9.266 1.00 73.21 N ATOM 725 CA GLY A 405 -6.003 -2.825 -9.238 1.00 13.21 C ATOM 726 C GLY A 405 -6.788 -3.941 -9.939 1.00 61.31 C ATOM 727 O GLY A 405 -7.373 -3.729 -11.001 1.00 5.51 O ATOM 0 H GLY A 405 -7.186 -1.307 -8.406 1.00 73.21 H new ATOM 0 HA2 GLY A 405 -5.029 -2.717 -9.716 1.00 13.21 H new ATOM 0 HA3 GLY A 405 -5.820 -3.111 -8.202 1.00 13.21 H new ATOM 731 N GLN A 406 -6.807 -5.110 -9.349 1.00 20.33 N ATOM 732 CA GLN A 406 -7.483 -6.263 -9.930 1.00 34.14 C ATOM 733 C GLN A 406 -8.999 -6.185 -9.626 1.00 3.34 C ATOM 734 O GLN A 406 -9.399 -5.702 -8.558 1.00 30.14 O ATOM 735 CB GLN A 406 -6.786 -7.567 -9.412 1.00 52.34 C ATOM 736 CG GLN A 406 -7.207 -8.903 -10.051 1.00 52.30 C ATOM 737 CD GLN A 406 -8.543 -9.437 -9.592 1.00 53.31 C ATOM 738 OE1 GLN A 406 -8.873 -9.220 -8.343 1.00 24.05 O flip ATOM 739 NE2 GLN A 406 -9.243 -10.098 -10.346 1.00 55.22 N flip ATOM 0 H GLN A 406 -6.357 -5.298 -8.453 1.00 20.33 H new ATOM 0 HA GLN A 406 -7.400 -6.274 -11.017 1.00 34.14 H new ATOM 0 HB2 GLN A 406 -5.711 -7.452 -9.552 1.00 52.34 H new ATOM 0 HB3 GLN A 406 -6.962 -7.638 -8.339 1.00 52.34 H new ATOM 0 HG2 GLN A 406 -7.235 -8.778 -11.133 1.00 52.30 H new ATOM 0 HG3 GLN A 406 -6.441 -9.649 -9.836 1.00 52.30 H new ATOM 0 HE21 GLN A 406 -8.953 -10.246 -11.313 1.00 55.22 H new ATOM 0 HE22 GLN A 406 -10.117 -10.502 -10.008 1.00 55.22 H new ATOM 747 N SER A 407 -9.820 -6.610 -10.589 1.00 32.45 N ATOM 748 CA SER A 407 -11.285 -6.536 -10.512 1.00 34.22 C ATOM 749 C SER A 407 -11.886 -7.329 -9.340 1.00 73.24 C ATOM 750 O SER A 407 -11.608 -8.509 -9.149 1.00 23.54 O ATOM 751 CB SER A 407 -11.890 -7.012 -11.829 1.00 14.05 C ATOM 752 OG SER A 407 -11.422 -6.221 -12.904 1.00 71.13 O ATOM 0 H SER A 407 -9.483 -7.022 -11.459 1.00 32.45 H new ATOM 0 HA SER A 407 -11.535 -5.491 -10.329 1.00 34.22 H new ATOM 0 HB2 SER A 407 -11.630 -8.057 -11.999 1.00 14.05 H new ATOM 0 HB3 SER A 407 -12.977 -6.958 -11.777 1.00 14.05 H new ATOM 0 HG SER A 407 -11.818 -6.540 -13.742 1.00 71.13 H new ATOM 758 N CYS A 408 -12.708 -6.660 -8.586 1.00 11.22 N ATOM 759 CA CYS A 408 -13.411 -7.230 -7.465 1.00 42.24 C ATOM 760 C CYS A 408 -14.869 -6.826 -7.577 1.00 44.24 C ATOM 761 O CYS A 408 -15.184 -5.882 -8.302 1.00 53.32 O ATOM 762 CB CYS A 408 -12.822 -6.664 -6.194 1.00 15.43 C ATOM 763 SG CYS A 408 -12.833 -4.849 -6.192 1.00 44.22 S ATOM 0 H CYS A 408 -12.917 -5.673 -8.735 1.00 11.22 H new ATOM 0 HA CYS A 408 -13.324 -8.316 -7.454 1.00 42.24 H new ATOM 0 HB2 CYS A 408 -13.387 -7.031 -5.337 1.00 15.43 H new ATOM 0 HB3 CYS A 408 -11.799 -7.021 -6.078 1.00 15.43 H new ATOM 768 N TRP A 409 -15.757 -7.543 -6.936 1.00 2.13 N ATOM 769 CA TRP A 409 -17.161 -7.172 -6.947 1.00 14.11 C ATOM 770 C TRP A 409 -17.481 -6.157 -5.851 1.00 53.02 C ATOM 771 O TRP A 409 -16.850 -6.157 -4.788 1.00 22.53 O ATOM 772 CB TRP A 409 -18.085 -8.409 -6.857 1.00 4.55 C ATOM 773 CG TRP A 409 -19.541 -8.080 -6.701 1.00 35.21 C ATOM 774 CD1 TRP A 409 -20.339 -8.373 -5.638 1.00 54.32 C ATOM 775 CD2 TRP A 409 -20.352 -7.356 -7.620 1.00 71.44 C ATOM 776 NE1 TRP A 409 -21.601 -7.894 -5.857 1.00 60.32 N ATOM 777 CE2 TRP A 409 -21.635 -7.262 -7.069 1.00 71.14 C ATOM 778 CE3 TRP A 409 -20.109 -6.786 -8.853 1.00 1.44 C ATOM 779 CZ2 TRP A 409 -22.681 -6.615 -7.721 1.00 43.43 C ATOM 780 CZ3 TRP A 409 -21.132 -6.145 -9.506 1.00 44.25 C ATOM 781 CH2 TRP A 409 -22.409 -6.062 -8.940 1.00 4.02 C ATOM 0 H TRP A 409 -15.541 -8.384 -6.401 1.00 2.13 H new ATOM 0 HA TRP A 409 -17.357 -6.693 -7.906 1.00 14.11 H new ATOM 0 HB2 TRP A 409 -17.955 -9.012 -7.756 1.00 4.55 H new ATOM 0 HB3 TRP A 409 -17.770 -9.023 -6.013 1.00 4.55 H new ATOM 0 HD1 TRP A 409 -20.022 -8.905 -4.753 1.00 54.32 H new ATOM 0 HE1 TRP A 409 -22.390 -7.992 -5.219 1.00 60.32 H new ATOM 0 HE3 TRP A 409 -19.127 -6.844 -9.298 1.00 1.44 H new ATOM 0 HZ2 TRP A 409 -23.666 -6.553 -7.282 1.00 43.43 H new ATOM 0 HZ3 TRP A 409 -20.948 -5.698 -10.472 1.00 44.25 H new ATOM 0 HH2 TRP A 409 -23.194 -5.551 -9.477 1.00 4.02 H new ATOM 792 N ASN A 410 -18.455 -5.276 -6.162 1.00 62.52 N ATOM 793 CA ASN A 410 -18.987 -4.231 -5.270 1.00 71.20 C ATOM 794 C ASN A 410 -18.013 -3.055 -5.207 1.00 5.23 C ATOM 795 O ASN A 410 -18.149 -2.114 -4.432 1.00 22.05 O ATOM 796 CB ASN A 410 -19.349 -4.822 -3.888 1.00 54.14 C ATOM 797 CG ASN A 410 -20.159 -3.885 -2.991 1.00 3.24 C ATOM 798 OD1 ASN A 410 -19.618 -3.110 -2.202 1.00 34.41 O ATOM 799 ND2 ASN A 410 -21.463 -3.957 -3.107 1.00 4.12 N ATOM 0 H ASN A 410 -18.908 -5.275 -7.076 1.00 62.52 H new ATOM 0 HA ASN A 410 -19.920 -3.838 -5.673 1.00 71.20 H new ATOM 0 HB2 ASN A 410 -19.915 -5.741 -4.037 1.00 54.14 H new ATOM 0 HB3 ASN A 410 -18.429 -5.094 -3.371 1.00 54.14 H new ATOM 0 HD21 ASN A 410 -22.060 -3.360 -2.534 1.00 4.12 H new ATOM 0 HD22 ASN A 410 -21.881 -4.610 -3.770 1.00 4.12 H new ATOM 805 N GLY A 411 -17.058 -3.127 -6.079 1.00 52.41 N ATOM 806 CA GLY A 411 -16.081 -2.119 -6.286 1.00 52.43 C ATOM 807 C GLY A 411 -15.646 -2.242 -7.712 1.00 34.33 C ATOM 808 O GLY A 411 -15.976 -3.246 -8.342 1.00 31.42 O ATOM 0 H GLY A 411 -16.937 -3.932 -6.693 1.00 52.41 H new ATOM 0 HA2 GLY A 411 -16.495 -1.130 -6.090 1.00 52.43 H new ATOM 0 HA3 GLY A 411 -15.237 -2.251 -5.609 1.00 52.43 H new ATOM 812 N PRO A 412 -14.950 -1.277 -8.288 1.00 71.25 N ATOM 813 CA PRO A 412 -14.532 -1.387 -9.679 1.00 64.45 C ATOM 814 C PRO A 412 -13.286 -2.270 -9.821 1.00 71.23 C ATOM 815 O PRO A 412 -13.189 -3.109 -10.721 1.00 12.13 O ATOM 816 CB PRO A 412 -14.197 0.066 -10.067 1.00 23.54 C ATOM 817 CG PRO A 412 -14.505 0.910 -8.857 1.00 73.55 C ATOM 818 CD PRO A 412 -14.545 -0.014 -7.682 1.00 11.20 C ATOM 0 HA PRO A 412 -15.297 -1.843 -10.308 1.00 64.45 H new ATOM 0 HB2 PRO A 412 -13.149 0.161 -10.350 1.00 23.54 H new ATOM 0 HB3 PRO A 412 -14.789 0.386 -10.925 1.00 23.54 H new ATOM 0 HG2 PRO A 412 -13.744 1.678 -8.718 1.00 73.55 H new ATOM 0 HG3 PRO A 412 -15.459 1.424 -8.977 1.00 73.55 H new ATOM 0 HD2 PRO A 412 -13.574 -0.091 -7.193 1.00 11.20 H new ATOM 0 HD3 PRO A 412 -15.256 0.320 -6.927 1.00 11.20 H new ATOM 826 N HIS A 413 -12.372 -2.103 -8.895 1.00 52.01 N ATOM 827 CA HIS A 413 -11.104 -2.814 -8.817 1.00 42.41 C ATOM 828 C HIS A 413 -10.599 -2.594 -7.413 1.00 1.41 C ATOM 829 O HIS A 413 -11.123 -1.704 -6.720 1.00 21.33 O ATOM 830 CB HIS A 413 -10.034 -2.235 -9.797 1.00 3.14 C ATOM 831 CG HIS A 413 -10.321 -2.363 -11.268 1.00 20.21 C ATOM 832 ND1 HIS A 413 -10.058 -3.500 -11.991 1.00 10.13 N ATOM 833 CD2 HIS A 413 -10.850 -1.480 -12.150 1.00 21.45 C ATOM 834 CE1 HIS A 413 -10.404 -3.318 -13.235 1.00 14.53 C ATOM 835 NE2 HIS A 413 -10.888 -2.103 -13.362 1.00 30.01 N ATOM 0 H HIS A 413 -12.492 -1.435 -8.134 1.00 52.01 H new ATOM 0 HA HIS A 413 -11.259 -3.861 -9.078 1.00 42.41 H new ATOM 0 HB2 HIS A 413 -9.900 -1.178 -9.568 1.00 3.14 H new ATOM 0 HB3 HIS A 413 -9.084 -2.728 -9.592 1.00 3.14 H new ATOM 0 HD2 HIS A 413 -11.179 -0.474 -11.934 1.00 21.45 H new ATOM 0 HE1 HIS A 413 -10.309 -4.045 -14.028 1.00 14.53 H new ATOM 0 HE2 HIS A 413 -11.236 -1.692 -14.228 1.00 30.01 H new ATOM 844 N ARG A 414 -9.617 -3.363 -6.975 1.00 2.05 N ATOM 845 CA ARG A 414 -9.037 -3.138 -5.664 1.00 14.42 C ATOM 846 C ARG A 414 -8.352 -1.791 -5.552 1.00 51.44 C ATOM 847 O ARG A 414 -8.000 -1.149 -6.570 1.00 35.54 O ATOM 848 CB ARG A 414 -8.112 -4.263 -5.194 1.00 42.35 C ATOM 849 CG ARG A 414 -8.824 -5.510 -4.712 1.00 75.00 C ATOM 850 CD ARG A 414 -7.828 -6.577 -4.270 1.00 33.20 C ATOM 851 NE ARG A 414 -8.492 -7.796 -3.789 1.00 22.04 N ATOM 852 CZ ARG A 414 -7.900 -8.781 -3.078 1.00 34.33 C ATOM 853 NH1 ARG A 414 -6.617 -8.686 -2.722 1.00 53.33 N ATOM 854 NH2 ARG A 414 -8.595 -9.848 -2.721 1.00 11.00 N ATOM 0 H ARG A 414 -9.210 -4.137 -7.499 1.00 2.05 H new ATOM 0 HA ARG A 414 -9.890 -3.136 -4.985 1.00 14.42 H new ATOM 0 HB2 ARG A 414 -7.448 -4.535 -6.014 1.00 42.35 H new ATOM 0 HB3 ARG A 414 -7.484 -3.885 -4.387 1.00 42.35 H new ATOM 0 HG2 ARG A 414 -9.483 -5.258 -3.881 1.00 75.00 H new ATOM 0 HG3 ARG A 414 -9.453 -5.904 -5.510 1.00 75.00 H new ATOM 0 HD2 ARG A 414 -7.174 -6.828 -5.105 1.00 33.20 H new ATOM 0 HD3 ARG A 414 -7.195 -6.175 -3.479 1.00 33.20 H new ATOM 0 HE ARG A 414 -9.481 -7.908 -4.010 1.00 22.04 H new ATOM 0 HH11 ARG A 414 -6.074 -7.864 -2.987 1.00 53.33 H new ATOM 0 HH12 ARG A 414 -6.180 -9.435 -2.185 1.00 53.33 H new ATOM 0 HH21 ARG A 414 -9.578 -9.927 -2.982 1.00 11.00 H new ATOM 0 HH22 ARG A 414 -8.148 -10.592 -2.184 1.00 11.00 H new ATOM 866 N SER A 415 -8.175 -1.377 -4.338 1.00 61.25 N ATOM 867 CA SER A 415 -7.617 -0.118 -4.007 1.00 74.13 C ATOM 868 C SER A 415 -7.138 -0.185 -2.550 1.00 72.30 C ATOM 869 O SER A 415 -7.573 -1.054 -1.795 1.00 4.13 O ATOM 870 CB SER A 415 -8.707 0.978 -4.191 1.00 60.31 C ATOM 871 OG SER A 415 -8.238 2.284 -3.891 1.00 60.24 O ATOM 0 H SER A 415 -8.428 -1.934 -3.522 1.00 61.25 H new ATOM 0 HA SER A 415 -6.773 0.129 -4.651 1.00 74.13 H new ATOM 0 HB2 SER A 415 -9.067 0.955 -5.219 1.00 60.31 H new ATOM 0 HB3 SER A 415 -9.558 0.747 -3.550 1.00 60.31 H new ATOM 0 HG SER A 415 -7.354 2.415 -4.293 1.00 60.24 H new ATOM 877 N ALA A 416 -6.249 0.691 -2.170 1.00 41.22 N ATOM 878 CA ALA A 416 -5.758 0.734 -0.827 1.00 64.23 C ATOM 879 C ALA A 416 -5.162 2.071 -0.541 1.00 0.22 C ATOM 880 O ALA A 416 -4.666 2.754 -1.450 1.00 25.41 O ATOM 881 CB ALA A 416 -4.713 -0.346 -0.586 1.00 15.44 C ATOM 0 H ALA A 416 -5.846 1.396 -2.787 1.00 41.22 H new ATOM 0 HA ALA A 416 -6.601 0.556 -0.159 1.00 64.23 H new ATOM 0 HB1 ALA A 416 -4.360 -0.287 0.443 1.00 15.44 H new ATOM 0 HB2 ALA A 416 -5.156 -1.326 -0.762 1.00 15.44 H new ATOM 0 HB3 ALA A 416 -3.874 -0.199 -1.267 1.00 15.44 H new ATOM 887 N ILE A 417 -5.238 2.464 0.687 1.00 22.52 N ATOM 888 CA ILE A 417 -4.583 3.649 1.120 1.00 44.11 C ATOM 889 C ILE A 417 -3.443 3.240 2.030 1.00 12.31 C ATOM 890 O ILE A 417 -3.635 2.496 2.990 1.00 22.00 O ATOM 891 CB ILE A 417 -5.531 4.683 1.855 1.00 62.21 C ATOM 892 CG1 ILE A 417 -4.780 6.003 2.087 1.00 60.44 C ATOM 893 CG2 ILE A 417 -6.062 4.146 3.190 1.00 12.11 C ATOM 894 CD1 ILE A 417 -5.577 7.054 2.848 1.00 62.21 C ATOM 0 H ILE A 417 -5.755 1.973 1.416 1.00 22.52 H new ATOM 0 HA ILE A 417 -4.225 4.174 0.234 1.00 44.11 H new ATOM 0 HB ILE A 417 -6.392 4.850 1.208 1.00 62.21 H new ATOM 0 HG12 ILE A 417 -3.862 5.793 2.636 1.00 60.44 H new ATOM 0 HG13 ILE A 417 -4.487 6.415 1.121 1.00 60.44 H new ATOM 0 HG21 ILE A 417 -6.706 4.894 3.652 1.00 12.11 H new ATOM 0 HG22 ILE A 417 -6.633 3.234 3.014 1.00 12.11 H new ATOM 0 HG23 ILE A 417 -5.225 3.928 3.853 1.00 12.11 H new ATOM 0 HD11 ILE A 417 -4.972 7.953 2.968 1.00 62.21 H new ATOM 0 HD12 ILE A 417 -6.483 7.297 2.292 1.00 62.21 H new ATOM 0 HD13 ILE A 417 -5.847 6.665 3.830 1.00 62.21 H new ATOM 901 N VAL A 418 -2.281 3.651 1.702 1.00 23.53 N ATOM 902 CA VAL A 418 -1.155 3.395 2.528 1.00 21.34 C ATOM 903 C VAL A 418 -0.744 4.643 3.226 1.00 51.41 C ATOM 904 O VAL A 418 -0.551 5.684 2.605 1.00 11.54 O ATOM 905 CB VAL A 418 0.033 2.756 1.764 1.00 2.01 C ATOM 906 CG1 VAL A 418 1.334 3.026 2.463 1.00 25.54 C ATOM 907 CG2 VAL A 418 -0.144 1.255 1.693 1.00 14.24 C ATOM 0 H VAL A 418 -2.076 4.177 0.852 1.00 23.53 H new ATOM 0 HA VAL A 418 -1.460 2.654 3.267 1.00 21.34 H new ATOM 0 HB VAL A 418 0.051 3.194 0.766 1.00 2.01 H new ATOM 0 HG11 VAL A 418 2.149 2.566 1.905 1.00 25.54 H new ATOM 0 HG12 VAL A 418 1.498 4.102 2.524 1.00 25.54 H new ATOM 0 HG13 VAL A 418 1.301 2.606 3.468 1.00 25.54 H new ATOM 0 HG21 VAL A 418 0.695 0.815 1.155 1.00 14.24 H new ATOM 0 HG22 VAL A 418 -0.183 0.845 2.702 1.00 14.24 H new ATOM 0 HG23 VAL A 418 -1.072 1.022 1.171 1.00 14.24 H new ATOM 913 N THR A 419 -0.651 4.559 4.498 1.00 3.11 N ATOM 914 CA THR A 419 -0.202 5.652 5.256 1.00 45.43 C ATOM 915 C THR A 419 1.187 5.274 5.746 1.00 13.12 C ATOM 916 O THR A 419 1.333 4.344 6.536 1.00 53.30 O ATOM 917 CB THR A 419 -1.146 5.849 6.451 1.00 32.12 C ATOM 918 OG1 THR A 419 -2.496 5.656 5.984 1.00 54.21 O ATOM 919 CG2 THR A 419 -1.056 7.261 6.958 1.00 30.43 C ATOM 0 H THR A 419 -0.885 3.728 5.040 1.00 3.11 H new ATOM 0 HA THR A 419 -0.180 6.577 4.679 1.00 45.43 H new ATOM 0 HB THR A 419 -0.875 5.149 7.241 1.00 32.12 H new ATOM 0 HG1 THR A 419 -3.120 5.775 6.730 1.00 54.21 H new ATOM 0 HG21 THR A 419 -1.730 7.387 7.805 1.00 30.43 H new ATOM 0 HG22 THR A 419 -0.034 7.470 7.274 1.00 30.43 H new ATOM 0 HG23 THR A 419 -1.339 7.952 6.163 1.00 30.43 H new ATOM 925 N VAL A 420 2.192 5.959 5.271 1.00 53.01 N ATOM 926 CA VAL A 420 3.554 5.641 5.638 1.00 74.13 C ATOM 927 C VAL A 420 3.967 6.621 6.677 1.00 72.45 C ATOM 928 O VAL A 420 4.090 7.773 6.396 1.00 60.33 O ATOM 929 CB VAL A 420 4.523 5.780 4.429 1.00 33.22 C ATOM 930 CG1 VAL A 420 5.915 5.334 4.800 1.00 62.13 C ATOM 931 CG2 VAL A 420 4.028 5.023 3.217 1.00 71.20 C ATOM 0 H VAL A 420 2.097 6.744 4.627 1.00 53.01 H new ATOM 0 HA VAL A 420 3.598 4.611 5.991 1.00 74.13 H new ATOM 0 HB VAL A 420 4.555 6.837 4.164 1.00 33.22 H new ATOM 0 HG11 VAL A 420 6.573 5.441 3.938 1.00 62.13 H new ATOM 0 HG12 VAL A 420 6.288 5.949 5.619 1.00 62.13 H new ATOM 0 HG13 VAL A 420 5.892 4.290 5.111 1.00 62.13 H new ATOM 0 HG21 VAL A 420 4.735 5.147 2.397 1.00 71.20 H new ATOM 0 HG22 VAL A 420 3.938 3.964 3.461 1.00 71.20 H new ATOM 0 HG23 VAL A 420 3.054 5.411 2.919 1.00 71.20 H new ATOM 937 N GLU A 421 4.160 6.177 7.862 1.00 64.54 N ATOM 938 CA GLU A 421 4.462 7.081 8.930 1.00 75.21 C ATOM 939 C GLU A 421 5.888 6.917 9.405 1.00 41.43 C ATOM 940 O GLU A 421 6.655 6.149 8.832 1.00 71.22 O ATOM 941 CB GLU A 421 3.495 6.867 10.063 1.00 71.34 C ATOM 942 CG GLU A 421 2.051 7.027 9.662 1.00 33.23 C ATOM 943 CD GLU A 421 1.139 6.749 10.794 1.00 0.30 C ATOM 944 OE1 GLU A 421 0.972 5.576 11.142 1.00 12.53 O ATOM 945 OE2 GLU A 421 0.601 7.694 11.386 1.00 71.23 O ATOM 0 H GLU A 421 4.116 5.193 8.127 1.00 64.54 H new ATOM 0 HA GLU A 421 4.358 8.101 8.559 1.00 75.21 H new ATOM 0 HB2 GLU A 421 3.642 5.867 10.471 1.00 71.34 H new ATOM 0 HB3 GLU A 421 3.722 7.573 10.862 1.00 71.34 H new ATOM 0 HG2 GLU A 421 1.883 8.041 9.299 1.00 33.23 H new ATOM 0 HG3 GLU A 421 1.825 6.352 8.837 1.00 33.23 H new ATOM 952 N CYS A 422 6.225 7.636 10.441 1.00 61.25 N ATOM 953 CA CYS A 422 7.546 7.630 11.018 1.00 23.22 C ATOM 954 C CYS A 422 7.915 6.229 11.489 1.00 73.15 C ATOM 955 O CYS A 422 7.158 5.588 12.213 1.00 51.20 O ATOM 956 CB CYS A 422 7.573 8.633 12.185 1.00 34.14 C ATOM 957 SG CYS A 422 9.116 8.701 13.168 1.00 63.32 S ATOM 0 H CYS A 422 5.574 8.258 10.921 1.00 61.25 H new ATOM 0 HA CYS A 422 8.282 7.926 10.270 1.00 23.22 H new ATOM 0 HB2 CYS A 422 7.380 9.628 11.784 1.00 34.14 H new ATOM 0 HB3 CYS A 422 6.750 8.395 12.858 1.00 34.14 H new ATOM 962 N GLY A 423 9.064 5.765 11.056 1.00 74.13 N ATOM 963 CA GLY A 423 9.526 4.454 11.421 1.00 21.22 C ATOM 964 C GLY A 423 11.005 4.345 11.259 1.00 0.12 C ATOM 965 O GLY A 423 11.666 5.333 10.917 1.00 12.32 O ATOM 0 H GLY A 423 9.697 6.283 10.447 1.00 74.13 H new ATOM 0 HA2 GLY A 423 9.253 4.243 12.455 1.00 21.22 H new ATOM 0 HA3 GLY A 423 9.032 3.705 10.802 1.00 21.22 H new ATOM 969 N VAL A 424 11.536 3.173 11.503 1.00 21.44 N ATOM 970 CA VAL A 424 12.962 2.946 11.385 1.00 35.43 C ATOM 971 C VAL A 424 13.283 2.392 9.985 1.00 53.45 C ATOM 972 O VAL A 424 14.343 2.658 9.422 1.00 11.24 O ATOM 973 CB VAL A 424 13.462 1.952 12.477 1.00 33.33 C ATOM 974 CG1 VAL A 424 14.973 1.790 12.427 1.00 24.21 C ATOM 975 CG2 VAL A 424 13.024 2.408 13.863 1.00 41.22 C ATOM 0 H VAL A 424 11.000 2.353 11.787 1.00 21.44 H new ATOM 0 HA VAL A 424 13.476 3.896 11.529 1.00 35.43 H new ATOM 0 HB VAL A 424 13.011 0.981 12.271 1.00 33.33 H new ATOM 0 HG11 VAL A 424 15.290 1.091 13.201 1.00 24.21 H new ATOM 0 HG12 VAL A 424 15.266 1.407 11.450 1.00 24.21 H new ATOM 0 HG13 VAL A 424 15.448 2.756 12.595 1.00 24.21 H new ATOM 0 HG21 VAL A 424 13.384 1.700 14.610 1.00 41.22 H new ATOM 0 HG22 VAL A 424 13.439 3.395 14.069 1.00 41.22 H new ATOM 0 HG23 VAL A 424 11.936 2.456 13.903 1.00 41.22 H new ATOM 981 N GLU A 425 12.347 1.649 9.429 1.00 0.14 N ATOM 982 CA GLU A 425 12.504 1.035 8.118 1.00 12.13 C ATOM 983 C GLU A 425 11.185 1.003 7.420 1.00 21.23 C ATOM 984 O GLU A 425 10.139 1.155 8.053 1.00 22.50 O ATOM 985 CB GLU A 425 13.038 -0.390 8.266 1.00 52.33 C ATOM 986 CG GLU A 425 12.109 -1.310 9.028 1.00 53.44 C ATOM 987 CD GLU A 425 12.667 -2.681 9.207 1.00 43.51 C ATOM 988 OE1 GLU A 425 12.463 -3.538 8.336 1.00 63.34 O ATOM 989 OE2 GLU A 425 13.317 -2.928 10.240 1.00 11.15 O ATOM 0 H GLU A 425 11.450 1.451 9.873 1.00 0.14 H new ATOM 0 HA GLU A 425 13.213 1.622 7.534 1.00 12.13 H new ATOM 0 HB2 GLU A 425 13.216 -0.807 7.275 1.00 52.33 H new ATOM 0 HB3 GLU A 425 14.001 -0.357 8.775 1.00 52.33 H new ATOM 0 HG2 GLU A 425 11.900 -0.878 10.007 1.00 53.44 H new ATOM 0 HG3 GLU A 425 11.158 -1.377 8.499 1.00 53.44 H new ATOM 996 N ASN A 426 11.245 0.844 6.132 1.00 34.51 N ATOM 997 CA ASN A 426 10.077 0.699 5.305 1.00 2.23 C ATOM 998 C ASN A 426 9.449 -0.680 5.507 1.00 31.32 C ATOM 999 O ASN A 426 9.917 -1.680 4.980 1.00 43.42 O ATOM 1000 CB ASN A 426 10.426 0.969 3.823 1.00 4.03 C ATOM 1001 CG ASN A 426 11.748 0.329 3.394 1.00 31.24 C ATOM 1002 OD1 ASN A 426 12.794 0.970 3.435 1.00 72.45 O ATOM 1003 ND2 ASN A 426 11.725 -0.918 3.084 1.00 2.14 N ATOM 0 H ASN A 426 12.123 0.810 5.613 1.00 34.51 H new ATOM 0 HA ASN A 426 9.335 1.440 5.602 1.00 2.23 H new ATOM 0 HB2 ASN A 426 9.623 0.589 3.191 1.00 4.03 H new ATOM 0 HB3 ASN A 426 10.479 2.045 3.658 1.00 4.03 H new ATOM 0 HD21 ASN A 426 12.594 -1.405 2.863 1.00 2.14 H new ATOM 0 HD22 ASN A 426 10.838 -1.421 3.059 1.00 2.14 H new ATOM 1009 N GLU A 427 8.435 -0.729 6.319 1.00 44.11 N ATOM 1010 CA GLU A 427 7.770 -1.978 6.642 1.00 43.05 C ATOM 1011 C GLU A 427 6.255 -1.830 6.526 1.00 30.02 C ATOM 1012 O GLU A 427 5.718 -0.738 6.769 1.00 44.54 O ATOM 1013 CB GLU A 427 8.154 -2.393 8.067 1.00 61.32 C ATOM 1014 CG GLU A 427 7.540 -3.695 8.529 1.00 74.11 C ATOM 1015 CD GLU A 427 7.899 -4.032 9.944 1.00 30.34 C ATOM 1016 OE1 GLU A 427 7.190 -3.572 10.868 1.00 20.45 O ATOM 1017 OE2 GLU A 427 8.870 -4.781 10.158 1.00 62.40 O ATOM 0 H GLU A 427 8.038 0.089 6.781 1.00 44.11 H new ATOM 0 HA GLU A 427 8.087 -2.746 5.936 1.00 43.05 H new ATOM 0 HB2 GLU A 427 9.239 -2.476 8.127 1.00 61.32 H new ATOM 0 HB3 GLU A 427 7.856 -1.602 8.755 1.00 61.32 H new ATOM 0 HG2 GLU A 427 6.456 -3.633 8.438 1.00 74.11 H new ATOM 0 HG3 GLU A 427 7.869 -4.501 7.873 1.00 74.11 H new ATOM 1024 N ILE A 428 5.564 -2.915 6.146 1.00 10.24 N ATOM 1025 CA ILE A 428 4.118 -2.910 6.124 1.00 74.43 C ATOM 1026 C ILE A 428 3.679 -3.239 7.535 1.00 35.10 C ATOM 1027 O ILE A 428 4.076 -4.267 8.094 1.00 45.33 O ATOM 1028 CB ILE A 428 3.519 -3.997 5.194 1.00 54.31 C ATOM 1029 CG1 ILE A 428 4.150 -3.972 3.789 1.00 53.11 C ATOM 1030 CG2 ILE A 428 2.010 -3.780 5.086 1.00 25.32 C ATOM 1031 CD1 ILE A 428 3.883 -2.712 3.014 1.00 74.02 C ATOM 0 H ILE A 428 5.991 -3.794 5.854 1.00 10.24 H new ATOM 0 HA ILE A 428 3.778 -1.941 5.759 1.00 74.43 H new ATOM 0 HB ILE A 428 3.736 -4.972 5.629 1.00 54.31 H new ATOM 0 HG12 ILE A 428 5.228 -4.104 3.885 1.00 53.11 H new ATOM 0 HG13 ILE A 428 3.774 -4.822 3.219 1.00 53.11 H new ATOM 0 HG21 ILE A 428 1.579 -4.540 4.434 1.00 25.32 H new ATOM 0 HG22 ILE A 428 1.560 -3.854 6.076 1.00 25.32 H new ATOM 0 HG23 ILE A 428 1.813 -2.791 4.671 1.00 25.32 H new ATOM 0 HD11 ILE A 428 4.362 -2.777 2.037 1.00 74.02 H new ATOM 0 HD12 ILE A 428 2.808 -2.586 2.883 1.00 74.02 H new ATOM 0 HD13 ILE A 428 4.285 -1.858 3.559 1.00 74.02 H new ATOM 1038 N VAL A 429 2.902 -2.397 8.098 1.00 41.33 N ATOM 1039 CA VAL A 429 2.479 -2.540 9.462 1.00 14.24 C ATOM 1040 C VAL A 429 1.157 -3.291 9.598 1.00 4.05 C ATOM 1041 O VAL A 429 1.043 -4.223 10.393 1.00 5.24 O ATOM 1042 CB VAL A 429 2.387 -1.147 10.140 1.00 13.31 C ATOM 1043 CG1 VAL A 429 1.697 -1.219 11.473 1.00 33.43 C ATOM 1044 CG2 VAL A 429 3.767 -0.550 10.300 1.00 73.02 C ATOM 0 H VAL A 429 2.528 -1.572 7.630 1.00 41.33 H new ATOM 0 HA VAL A 429 3.232 -3.143 9.969 1.00 14.24 H new ATOM 0 HB VAL A 429 1.790 -0.505 9.492 1.00 13.31 H new ATOM 0 HG11 VAL A 429 1.653 -0.223 11.914 1.00 33.43 H new ATOM 0 HG12 VAL A 429 0.685 -1.601 11.339 1.00 33.43 H new ATOM 0 HG13 VAL A 429 2.252 -1.885 12.134 1.00 33.43 H new ATOM 0 HG21 VAL A 429 3.688 0.427 10.777 1.00 73.02 H new ATOM 0 HG22 VAL A 429 4.378 -1.207 10.919 1.00 73.02 H new ATOM 0 HG23 VAL A 429 4.231 -0.439 9.320 1.00 73.02 H new ATOM 1050 N SER A 430 0.180 -2.917 8.827 1.00 54.03 N ATOM 1051 CA SER A 430 -1.153 -3.468 8.988 1.00 21.01 C ATOM 1052 C SER A 430 -1.933 -3.294 7.711 1.00 4.21 C ATOM 1053 O SER A 430 -1.626 -2.402 6.926 1.00 5.33 O ATOM 1054 CB SER A 430 -1.899 -2.727 10.127 1.00 42.13 C ATOM 1055 OG SER A 430 -1.188 -2.795 11.364 1.00 45.13 O ATOM 0 H SER A 430 0.271 -2.232 8.076 1.00 54.03 H new ATOM 0 HA SER A 430 -1.065 -4.527 9.232 1.00 21.01 H new ATOM 0 HB2 SER A 430 -2.042 -1.683 9.848 1.00 42.13 H new ATOM 0 HB3 SER A 430 -2.890 -3.162 10.254 1.00 42.13 H new ATOM 0 HG SER A 430 -1.689 -2.315 12.056 1.00 45.13 H new ATOM 1061 N VAL A 431 -2.918 -4.131 7.514 1.00 53.02 N ATOM 1062 CA VAL A 431 -3.812 -4.031 6.400 1.00 63.01 C ATOM 1063 C VAL A 431 -5.204 -4.374 6.866 1.00 61.42 C ATOM 1064 O VAL A 431 -5.492 -5.499 7.271 1.00 3.15 O ATOM 1065 CB VAL A 431 -3.372 -4.866 5.147 1.00 24.31 C ATOM 1066 CG1 VAL A 431 -3.071 -6.296 5.492 1.00 5.35 C ATOM 1067 CG2 VAL A 431 -4.433 -4.805 4.063 1.00 62.44 C ATOM 0 H VAL A 431 -3.121 -4.913 8.136 1.00 53.02 H new ATOM 0 HA VAL A 431 -3.789 -3.002 6.042 1.00 63.01 H new ATOM 0 HB VAL A 431 -2.451 -4.417 4.775 1.00 24.31 H new ATOM 0 HG11 VAL A 431 -2.771 -6.832 4.592 1.00 5.35 H new ATOM 0 HG12 VAL A 431 -2.262 -6.332 6.222 1.00 5.35 H new ATOM 0 HG13 VAL A 431 -3.961 -6.764 5.913 1.00 5.35 H new ATOM 0 HG21 VAL A 431 -4.108 -5.390 3.203 1.00 62.44 H new ATOM 0 HG22 VAL A 431 -5.369 -5.212 4.446 1.00 62.44 H new ATOM 0 HG23 VAL A 431 -4.585 -3.769 3.760 1.00 62.44 H new ATOM 1073 N LEU A 432 -6.027 -3.399 6.867 1.00 3.20 N ATOM 1074 CA LEU A 432 -7.351 -3.526 7.360 1.00 71.43 C ATOM 1075 C LEU A 432 -8.314 -3.264 6.223 1.00 51.34 C ATOM 1076 O LEU A 432 -8.094 -2.361 5.428 1.00 20.33 O ATOM 1077 CB LEU A 432 -7.554 -2.535 8.502 1.00 11.01 C ATOM 1078 CG LEU A 432 -8.835 -2.662 9.305 1.00 20.04 C ATOM 1079 CD1 LEU A 432 -8.886 -4.022 9.987 1.00 53.10 C ATOM 1080 CD2 LEU A 432 -8.913 -1.548 10.332 1.00 52.31 C ATOM 0 H LEU A 432 -5.800 -2.468 6.519 1.00 3.20 H new ATOM 0 HA LEU A 432 -7.531 -4.529 7.746 1.00 71.43 H new ATOM 0 HB2 LEU A 432 -6.713 -2.632 9.188 1.00 11.01 H new ATOM 0 HB3 LEU A 432 -7.512 -1.528 8.088 1.00 11.01 H new ATOM 0 HG LEU A 432 -9.690 -2.577 8.634 1.00 20.04 H new ATOM 0 HD11 LEU A 432 -9.808 -4.106 10.562 1.00 53.10 H new ATOM 0 HD12 LEU A 432 -8.855 -4.809 9.233 1.00 53.10 H new ATOM 0 HD13 LEU A 432 -8.031 -4.126 10.655 1.00 53.10 H new ATOM 0 HD21 LEU A 432 -9.835 -1.645 10.905 1.00 52.31 H new ATOM 0 HD22 LEU A 432 -8.059 -1.614 11.006 1.00 52.31 H new ATOM 0 HD23 LEU A 432 -8.901 -0.584 9.824 1.00 52.31 H new ATOM 1088 N GLU A 433 -9.346 -4.045 6.123 1.00 34.02 N ATOM 1089 CA GLU A 433 -10.278 -3.906 5.031 1.00 15.43 C ATOM 1090 C GLU A 433 -11.239 -2.763 5.342 1.00 0.41 C ATOM 1091 O GLU A 433 -12.032 -2.834 6.279 1.00 51.54 O ATOM 1092 CB GLU A 433 -11.035 -5.218 4.853 1.00 24.13 C ATOM 1093 CG GLU A 433 -11.979 -5.270 3.669 1.00 10.51 C ATOM 1094 CD GLU A 433 -12.732 -6.581 3.619 1.00 73.44 C ATOM 1095 OE1 GLU A 433 -13.746 -6.714 4.313 1.00 31.21 O ATOM 1096 OE2 GLU A 433 -12.299 -7.518 2.906 1.00 25.45 O ATOM 0 H GLU A 433 -9.570 -4.789 6.783 1.00 34.02 H new ATOM 0 HA GLU A 433 -9.751 -3.679 4.104 1.00 15.43 H new ATOM 0 HB2 GLU A 433 -10.310 -6.025 4.753 1.00 24.13 H new ATOM 0 HB3 GLU A 433 -11.607 -5.414 5.760 1.00 24.13 H new ATOM 0 HG2 GLU A 433 -12.688 -4.444 3.731 1.00 10.51 H new ATOM 0 HG3 GLU A 433 -11.415 -5.138 2.746 1.00 10.51 H new ATOM 1103 N ALA A 434 -11.128 -1.694 4.563 1.00 12.12 N ATOM 1104 CA ALA A 434 -11.925 -0.498 4.765 1.00 65.32 C ATOM 1105 C ALA A 434 -13.341 -0.738 4.327 1.00 13.34 C ATOM 1106 O ALA A 434 -14.296 -0.466 5.054 1.00 43.15 O ATOM 1107 CB ALA A 434 -11.330 0.674 3.991 1.00 41.22 C ATOM 0 H ALA A 434 -10.483 -1.635 3.775 1.00 12.12 H new ATOM 0 HA ALA A 434 -11.921 -0.254 5.827 1.00 65.32 H new ATOM 0 HB1 ALA A 434 -11.939 1.563 4.153 1.00 41.22 H new ATOM 0 HB2 ALA A 434 -10.314 0.862 4.339 1.00 41.22 H new ATOM 0 HB3 ALA A 434 -11.311 0.436 2.928 1.00 41.22 H new ATOM 1113 N GLN A 435 -13.473 -1.260 3.141 1.00 50.21 N ATOM 1114 CA GLN A 435 -14.759 -1.544 2.570 1.00 12.35 C ATOM 1115 C GLN A 435 -14.798 -3.009 2.136 1.00 24.10 C ATOM 1116 O GLN A 435 -15.383 -3.840 2.808 1.00 75.22 O ATOM 1117 CB GLN A 435 -15.041 -0.585 1.402 1.00 43.20 C ATOM 1118 CG GLN A 435 -15.139 0.888 1.811 1.00 33.34 C ATOM 1119 CD GLN A 435 -15.298 1.831 0.627 1.00 1.25 C ATOM 1120 OE1 GLN A 435 -16.410 2.120 0.188 1.00 34.21 O ATOM 1121 NE2 GLN A 435 -14.202 2.362 0.143 1.00 53.35 N ATOM 0 H GLN A 435 -12.686 -1.502 2.539 1.00 50.21 H new ATOM 0 HA GLN A 435 -15.545 -1.387 3.309 1.00 12.35 H new ATOM 0 HB2 GLN A 435 -14.251 -0.693 0.659 1.00 43.20 H new ATOM 0 HB3 GLN A 435 -15.974 -0.880 0.921 1.00 43.20 H new ATOM 0 HG2 GLN A 435 -15.986 1.015 2.485 1.00 33.34 H new ATOM 0 HG3 GLN A 435 -14.244 1.164 2.369 1.00 33.34 H new ATOM 0 HE21 GLN A 435 -13.295 2.101 0.530 1.00 53.35 H new ATOM 0 HE22 GLN A 435 -14.256 3.036 -0.620 1.00 53.35 H new ATOM 1129 N LYS A 436 -14.153 -3.306 1.024 1.00 20.34 N ATOM 1130 CA LYS A 436 -13.983 -4.682 0.554 1.00 40.33 C ATOM 1131 C LYS A 436 -12.916 -4.756 -0.515 1.00 1.51 C ATOM 1132 O LYS A 436 -12.112 -5.663 -0.534 1.00 11.02 O ATOM 1133 CB LYS A 436 -15.291 -5.380 0.084 1.00 33.42 C ATOM 1134 CG LYS A 436 -16.050 -4.741 -1.087 1.00 2.55 C ATOM 1135 CD LYS A 436 -16.846 -3.507 -0.682 1.00 21.22 C ATOM 1136 CE LYS A 436 -17.958 -3.858 0.306 1.00 71.34 C ATOM 1137 NZ LYS A 436 -18.831 -2.708 0.592 1.00 34.25 N ATOM 0 H LYS A 436 -13.729 -2.605 0.416 1.00 20.34 H new ATOM 0 HA LYS A 436 -13.663 -5.245 1.430 1.00 40.33 H new ATOM 0 HB2 LYS A 436 -15.045 -6.405 -0.193 1.00 33.42 H new ATOM 0 HB3 LYS A 436 -15.969 -5.434 0.936 1.00 33.42 H new ATOM 0 HG2 LYS A 436 -15.339 -4.467 -1.867 1.00 2.55 H new ATOM 0 HG3 LYS A 436 -16.728 -5.478 -1.518 1.00 2.55 H new ATOM 0 HD2 LYS A 436 -16.177 -2.772 -0.233 1.00 21.22 H new ATOM 0 HD3 LYS A 436 -17.279 -3.044 -1.569 1.00 21.22 H new ATOM 0 HE2 LYS A 436 -18.556 -4.675 -0.098 1.00 71.34 H new ATOM 0 HE3 LYS A 436 -17.516 -4.216 1.236 1.00 71.34 H new ATOM 0 HZ1 LYS A 436 -19.484 -2.951 1.364 1.00 34.25 H new ATOM 0 HZ2 LYS A 436 -18.250 -1.893 0.874 1.00 34.25 H new ATOM 0 HZ3 LYS A 436 -19.377 -2.466 -0.260 1.00 34.25 H new ATOM 1151 N CYS A 437 -12.923 -3.795 -1.398 1.00 52.31 N ATOM 1152 CA CYS A 437 -11.914 -3.697 -2.437 1.00 44.41 C ATOM 1153 C CYS A 437 -10.835 -2.741 -2.020 1.00 72.33 C ATOM 1154 O CYS A 437 -9.749 -2.739 -2.563 1.00 61.31 O ATOM 1155 CB CYS A 437 -12.539 -3.209 -3.726 1.00 54.11 C ATOM 1156 SG CYS A 437 -13.735 -4.350 -4.457 1.00 11.42 S ATOM 0 H CYS A 437 -13.624 -3.055 -1.424 1.00 52.31 H new ATOM 0 HA CYS A 437 -11.483 -4.686 -2.594 1.00 44.41 H new ATOM 0 HB2 CYS A 437 -13.033 -2.256 -3.537 1.00 54.11 H new ATOM 0 HB3 CYS A 437 -11.747 -3.019 -4.450 1.00 54.11 H new ATOM 1161 N GLU A 438 -11.150 -1.954 -1.040 1.00 51.41 N ATOM 1162 CA GLU A 438 -10.274 -0.936 -0.536 1.00 65.53 C ATOM 1163 C GLU A 438 -9.838 -1.288 0.858 1.00 50.23 C ATOM 1164 O GLU A 438 -10.667 -1.663 1.711 1.00 5.43 O ATOM 1165 CB GLU A 438 -10.958 0.427 -0.552 1.00 43.24 C ATOM 1166 CG GLU A 438 -10.122 1.540 0.062 1.00 20.42 C ATOM 1167 CD GLU A 438 -10.829 2.860 0.076 1.00 25.41 C ATOM 1168 OE1 GLU A 438 -11.546 3.136 1.051 1.00 20.34 O ATOM 1169 OE2 GLU A 438 -10.675 3.647 -0.882 1.00 71.34 O ATOM 0 H GLU A 438 -12.046 -2.000 -0.554 1.00 51.41 H new ATOM 0 HA GLU A 438 -9.397 -0.879 -1.181 1.00 65.53 H new ATOM 0 HB2 GLU A 438 -11.197 0.691 -1.582 1.00 43.24 H new ATOM 0 HB3 GLU A 438 -11.903 0.355 -0.013 1.00 43.24 H new ATOM 0 HG2 GLU A 438 -9.855 1.266 1.083 1.00 20.42 H new ATOM 0 HG3 GLU A 438 -9.191 1.638 -0.496 1.00 20.42 H new ATOM 1176 N TYR A 439 -8.563 -1.186 1.089 1.00 21.44 N ATOM 1177 CA TYR A 439 -7.975 -1.536 2.352 1.00 30.53 C ATOM 1178 C TYR A 439 -7.170 -0.358 2.874 1.00 61.01 C ATOM 1179 O TYR A 439 -6.669 0.449 2.092 1.00 62.31 O ATOM 1180 CB TYR A 439 -7.041 -2.746 2.145 1.00 63.23 C ATOM 1181 CG TYR A 439 -7.712 -3.900 1.429 1.00 33.42 C ATOM 1182 CD1 TYR A 439 -7.751 -3.942 0.040 1.00 12.21 C ATOM 1183 CD2 TYR A 439 -8.331 -4.922 2.127 1.00 71.22 C ATOM 1184 CE1 TYR A 439 -8.380 -4.958 -0.625 1.00 72.15 C ATOM 1185 CE2 TYR A 439 -8.962 -5.956 1.461 1.00 51.32 C ATOM 1186 CZ TYR A 439 -8.982 -5.965 0.083 1.00 52.24 C ATOM 1187 OH TYR A 439 -9.616 -6.986 -0.588 1.00 0.13 O ATOM 0 H TYR A 439 -7.891 -0.853 0.398 1.00 21.44 H new ATOM 0 HA TYR A 439 -8.754 -1.788 3.071 1.00 30.53 H new ATOM 0 HB2 TYR A 439 -6.168 -2.430 1.574 1.00 63.23 H new ATOM 0 HB3 TYR A 439 -6.680 -3.089 3.115 1.00 63.23 H new ATOM 0 HD1 TYR A 439 -7.274 -3.155 -0.526 1.00 12.21 H new ATOM 0 HD2 TYR A 439 -8.321 -4.912 3.207 1.00 71.22 H new ATOM 0 HE1 TYR A 439 -8.402 -4.967 -1.705 1.00 72.15 H new ATOM 0 HE2 TYR A 439 -9.436 -6.751 2.017 1.00 51.32 H new ATOM 0 HH TYR A 439 -10.563 -6.761 -0.707 1.00 0.13 H new ATOM 1197 N LEU A 440 -7.076 -0.235 4.169 1.00 3.43 N ATOM 1198 CA LEU A 440 -6.226 0.760 4.759 1.00 64.01 C ATOM 1199 C LEU A 440 -5.002 0.078 5.313 1.00 75.20 C ATOM 1200 O LEU A 440 -5.092 -0.790 6.192 1.00 25.12 O ATOM 1201 CB LEU A 440 -6.916 1.690 5.816 1.00 41.44 C ATOM 1202 CG LEU A 440 -7.572 1.063 7.066 1.00 3.42 C ATOM 1203 CD1 LEU A 440 -7.843 2.148 8.095 1.00 33.24 C ATOM 1204 CD2 LEU A 440 -8.894 0.407 6.715 1.00 3.45 C ATOM 0 H LEU A 440 -7.581 -0.815 4.839 1.00 3.43 H new ATOM 0 HA LEU A 440 -5.950 1.455 3.966 1.00 64.01 H new ATOM 0 HB2 LEU A 440 -6.168 2.403 6.162 1.00 41.44 H new ATOM 0 HB3 LEU A 440 -7.684 2.262 5.296 1.00 41.44 H new ATOM 0 HG LEU A 440 -6.889 0.312 7.463 1.00 3.42 H new ATOM 0 HD11 LEU A 440 -8.306 1.705 8.977 1.00 33.24 H new ATOM 0 HD12 LEU A 440 -6.904 2.624 8.378 1.00 33.24 H new ATOM 0 HD13 LEU A 440 -8.514 2.894 7.669 1.00 33.24 H new ATOM 0 HD21 LEU A 440 -9.335 -0.027 7.613 1.00 3.45 H new ATOM 0 HD22 LEU A 440 -9.572 1.154 6.302 1.00 3.45 H new ATOM 0 HD23 LEU A 440 -8.726 -0.378 5.978 1.00 3.45 H new ATOM 1212 N ILE A 441 -3.886 0.429 4.768 1.00 1.41 N ATOM 1213 CA ILE A 441 -2.627 -0.159 5.100 1.00 41.04 C ATOM 1214 C ILE A 441 -1.734 0.881 5.746 1.00 4.41 C ATOM 1215 O ILE A 441 -1.611 2.007 5.254 1.00 73.22 O ATOM 1216 CB ILE A 441 -1.953 -0.724 3.817 1.00 52.44 C ATOM 1217 CG1 ILE A 441 -2.800 -1.860 3.228 1.00 54.15 C ATOM 1218 CG2 ILE A 441 -0.529 -1.209 4.099 1.00 41.15 C ATOM 1219 CD1 ILE A 441 -2.374 -2.315 1.852 1.00 41.12 C ATOM 0 H ILE A 441 -3.820 1.156 4.056 1.00 1.41 H new ATOM 0 HA ILE A 441 -2.784 -0.977 5.803 1.00 41.04 H new ATOM 0 HB ILE A 441 -1.889 0.084 3.089 1.00 52.44 H new ATOM 0 HG12 ILE A 441 -2.762 -2.713 3.906 1.00 54.15 H new ATOM 0 HG13 ILE A 441 -3.839 -1.535 3.183 1.00 54.15 H new ATOM 0 HG21 ILE A 441 -0.088 -1.597 3.181 1.00 41.15 H new ATOM 0 HG22 ILE A 441 0.072 -0.378 4.467 1.00 41.15 H new ATOM 0 HG23 ILE A 441 -0.556 -1.998 4.851 1.00 41.15 H new ATOM 0 HD11 ILE A 441 -3.028 -3.119 1.516 1.00 41.12 H new ATOM 0 HD12 ILE A 441 -2.440 -1.479 1.156 1.00 41.12 H new ATOM 0 HD13 ILE A 441 -1.346 -2.675 1.890 1.00 41.12 H new ATOM 1226 N LYS A 442 -1.135 0.528 6.836 1.00 10.35 N ATOM 1227 CA LYS A 442 -0.260 1.408 7.502 1.00 51.03 C ATOM 1228 C LYS A 442 1.148 0.899 7.336 1.00 50.23 C ATOM 1229 O LYS A 442 1.377 -0.307 7.356 1.00 2.20 O ATOM 1230 CB LYS A 442 -0.687 1.534 8.964 1.00 21.53 C ATOM 1231 CG LYS A 442 0.183 2.426 9.829 1.00 25.54 C ATOM 1232 CD LYS A 442 -0.482 2.685 11.176 1.00 64.45 C ATOM 1233 CE LYS A 442 -0.817 1.405 11.916 1.00 3.40 C ATOM 1234 NZ LYS A 442 -1.497 1.667 13.202 1.00 72.11 N ATOM 0 H LYS A 442 -1.245 -0.382 7.283 1.00 10.35 H new ATOM 0 HA LYS A 442 -0.299 2.411 7.076 1.00 51.03 H new ATOM 0 HB2 LYS A 442 -1.708 1.915 8.994 1.00 21.53 H new ATOM 0 HB3 LYS A 442 -0.705 0.537 9.405 1.00 21.53 H new ATOM 0 HG2 LYS A 442 1.155 1.957 9.982 1.00 25.54 H new ATOM 0 HG3 LYS A 442 0.363 3.372 9.319 1.00 25.54 H new ATOM 0 HD2 LYS A 442 0.179 3.294 11.792 1.00 64.45 H new ATOM 0 HD3 LYS A 442 -1.395 3.261 11.022 1.00 64.45 H new ATOM 0 HE2 LYS A 442 -1.455 0.781 11.290 1.00 3.40 H new ATOM 0 HE3 LYS A 442 0.098 0.842 12.099 1.00 3.40 H new ATOM 0 HZ1 LYS A 442 -1.707 0.764 13.674 1.00 72.11 H new ATOM 0 HZ2 LYS A 442 -0.879 2.240 13.811 1.00 72.11 H new ATOM 0 HZ3 LYS A 442 -2.384 2.181 13.027 1.00 72.11 H new ATOM 1248 N MET A 443 2.062 1.796 7.127 1.00 25.34 N ATOM 1249 CA MET A 443 3.448 1.489 6.914 1.00 31.15 C ATOM 1250 C MET A 443 4.264 2.462 7.667 1.00 21.30 C ATOM 1251 O MET A 443 3.743 3.460 8.162 1.00 11.21 O ATOM 1252 CB MET A 443 3.844 1.610 5.439 1.00 74.55 C ATOM 1253 CG MET A 443 3.212 0.623 4.498 1.00 41.40 C ATOM 1254 SD MET A 443 3.837 0.801 2.819 1.00 23.30 S ATOM 1255 CE MET A 443 5.598 0.576 3.083 1.00 63.04 C ATOM 0 H MET A 443 1.860 2.795 7.099 1.00 25.34 H new ATOM 0 HA MET A 443 3.614 0.463 7.242 1.00 31.15 H new ATOM 0 HB2 MET A 443 3.595 2.615 5.099 1.00 74.55 H new ATOM 0 HB3 MET A 443 4.927 1.508 5.366 1.00 74.55 H new ATOM 0 HG2 MET A 443 3.404 -0.390 4.851 1.00 41.40 H new ATOM 0 HG3 MET A 443 2.131 0.761 4.499 1.00 41.40 H new ATOM 0 HE1 MET A 443 6.055 0.186 2.174 1.00 63.04 H new ATOM 0 HE2 MET A 443 6.053 1.533 3.336 1.00 63.04 H new ATOM 0 HE3 MET A 443 5.756 -0.128 3.900 1.00 63.04 H new ATOM 1265 N LYS A 444 5.521 2.193 7.773 1.00 5.32 N ATOM 1266 CA LYS A 444 6.421 3.114 8.393 1.00 4.45 C ATOM 1267 C LYS A 444 7.636 3.227 7.539 1.00 0.31 C ATOM 1268 O LYS A 444 7.919 2.336 6.738 1.00 4.33 O ATOM 1269 CB LYS A 444 6.835 2.674 9.789 1.00 11.31 C ATOM 1270 CG LYS A 444 5.703 2.367 10.702 1.00 13.44 C ATOM 1271 CD LYS A 444 4.991 3.615 11.116 1.00 51.22 C ATOM 1272 CE LYS A 444 3.772 3.248 11.884 1.00 53.03 C ATOM 1273 NZ LYS A 444 2.987 4.400 12.388 1.00 20.10 N ATOM 0 H LYS A 444 5.955 1.334 7.435 1.00 5.32 H new ATOM 0 HA LYS A 444 5.910 4.071 8.493 1.00 4.45 H new ATOM 0 HB2 LYS A 444 7.467 1.790 9.705 1.00 11.31 H new ATOM 0 HB3 LYS A 444 7.444 3.459 10.238 1.00 11.31 H new ATOM 0 HG2 LYS A 444 5.004 1.694 10.206 1.00 13.44 H new ATOM 0 HG3 LYS A 444 6.075 1.847 11.585 1.00 13.44 H new ATOM 0 HD2 LYS A 444 5.646 4.237 11.726 1.00 51.22 H new ATOM 0 HD3 LYS A 444 4.720 4.202 10.238 1.00 51.22 H new ATOM 0 HE2 LYS A 444 3.129 2.638 11.249 1.00 53.03 H new ATOM 0 HE3 LYS A 444 4.066 2.628 12.731 1.00 53.03 H new ATOM 0 HZ1 LYS A 444 2.547 4.149 13.296 1.00 20.10 H new ATOM 0 HZ2 LYS A 444 3.616 5.217 12.522 1.00 20.10 H new ATOM 0 HZ3 LYS A 444 2.246 4.643 11.700 1.00 20.10 H new ATOM 1287 N SER A 445 8.308 4.318 7.680 1.00 33.13 N ATOM 1288 CA SER A 445 9.568 4.608 6.987 1.00 10.33 C ATOM 1289 C SER A 445 10.281 5.759 7.692 1.00 73.43 C ATOM 1290 O SER A 445 9.629 6.648 8.245 1.00 24.22 O ATOM 1291 CB SER A 445 9.344 4.953 5.483 1.00 23.32 C ATOM 1292 OG SER A 445 8.832 3.850 4.762 1.00 40.32 O ATOM 0 H SER A 445 8.006 5.073 8.296 1.00 33.13 H new ATOM 0 HA SER A 445 10.186 3.711 7.022 1.00 10.33 H new ATOM 0 HB2 SER A 445 8.654 5.793 5.402 1.00 23.32 H new ATOM 0 HB3 SER A 445 10.287 5.272 5.039 1.00 23.32 H new ATOM 0 HG SER A 445 8.344 3.258 5.372 1.00 40.32 H new ATOM 1298 N PRO A 446 11.627 5.766 7.702 1.00 30.10 N ATOM 1299 CA PRO A 446 12.403 6.834 8.350 1.00 15.31 C ATOM 1300 C PRO A 446 12.219 8.177 7.643 1.00 2.21 C ATOM 1301 O PRO A 446 12.311 9.239 8.259 1.00 63.33 O ATOM 1302 CB PRO A 446 13.857 6.357 8.231 1.00 34.20 C ATOM 1303 CG PRO A 446 13.854 5.385 7.098 1.00 62.40 C ATOM 1304 CD PRO A 446 12.504 4.731 7.112 1.00 71.02 C ATOM 0 HA PRO A 446 12.089 7.001 9.380 1.00 15.31 H new ATOM 0 HB2 PRO A 446 14.531 7.191 8.034 1.00 34.20 H new ATOM 0 HB3 PRO A 446 14.194 5.886 9.154 1.00 34.20 H new ATOM 0 HG2 PRO A 446 14.031 5.892 6.150 1.00 62.40 H new ATOM 0 HG3 PRO A 446 14.646 4.646 7.217 1.00 62.40 H new ATOM 0 HD2 PRO A 446 12.181 4.455 6.108 1.00 71.02 H new ATOM 0 HD3 PRO A 446 12.506 3.819 7.708 1.00 71.02 H new ATOM 1312 N ALA A 447 11.923 8.113 6.361 1.00 1.31 N ATOM 1313 CA ALA A 447 11.723 9.294 5.550 1.00 25.14 C ATOM 1314 C ALA A 447 10.335 9.883 5.784 1.00 70.03 C ATOM 1315 O ALA A 447 10.069 11.026 5.435 1.00 51.23 O ATOM 1316 CB ALA A 447 11.919 8.959 4.081 1.00 74.02 C ATOM 0 H ALA A 447 11.814 7.236 5.851 1.00 1.31 H new ATOM 0 HA ALA A 447 12.461 10.042 5.840 1.00 25.14 H new ATOM 0 HB1 ALA A 447 11.766 9.855 3.480 1.00 74.02 H new ATOM 0 HB2 ALA A 447 12.931 8.586 3.925 1.00 74.02 H new ATOM 0 HB3 ALA A 447 11.201 8.195 3.783 1.00 74.02 H new ATOM 1322 N ALA A 448 9.455 9.100 6.391 1.00 60.15 N ATOM 1323 CA ALA A 448 8.100 9.552 6.665 1.00 35.25 C ATOM 1324 C ALA A 448 8.026 10.140 8.046 1.00 72.20 C ATOM 1325 O ALA A 448 6.948 10.408 8.578 1.00 14.33 O ATOM 1326 CB ALA A 448 7.129 8.416 6.534 1.00 0.22 C ATOM 0 H ALA A 448 9.655 8.150 6.703 1.00 60.15 H new ATOM 0 HA ALA A 448 7.834 10.318 5.937 1.00 35.25 H new ATOM 0 HB1 ALA A 448 6.121 8.773 6.743 1.00 0.22 H new ATOM 0 HB2 ALA A 448 7.170 8.017 5.520 1.00 0.22 H new ATOM 0 HB3 ALA A 448 7.390 7.631 7.244 1.00 0.22 H new ATOM 1332 N CYS A 449 9.166 10.327 8.628 1.00 0.21 N ATOM 1333 CA CYS A 449 9.245 10.920 9.904 1.00 44.43 C ATOM 1334 C CYS A 449 9.777 12.320 9.691 1.00 42.00 C ATOM 1335 O CYS A 449 10.888 12.484 9.163 1.00 50.44 O ATOM 1336 CB CYS A 449 10.204 10.113 10.763 1.00 5.20 C ATOM 1337 SG CYS A 449 10.037 10.402 12.543 1.00 35.52 S ATOM 0 H CYS A 449 10.066 10.069 8.223 1.00 0.21 H new ATOM 0 HA CYS A 449 8.278 10.948 10.406 1.00 44.43 H new ATOM 0 HB2 CYS A 449 10.048 9.053 10.563 1.00 5.20 H new ATOM 0 HB3 CYS A 449 11.226 10.347 10.463 1.00 5.20 H new ATOM 1342 N SER A 450 8.988 13.314 10.086 1.00 62.45 N ATOM 1343 CA SER A 450 9.310 14.720 9.883 1.00 14.34 C ATOM 1344 C SER A 450 9.470 15.009 8.366 1.00 43.43 C ATOM 1345 O SER A 450 8.451 15.240 7.690 1.00 37.51 O ATOM 1346 CB SER A 450 10.575 15.124 10.694 1.00 61.41 C ATOM 1347 OG SER A 450 10.841 16.527 10.615 1.00 54.01 O ATOM 1348 OXT SER A 450 10.599 14.964 7.843 1.00 37.51 O ATOM 0 H SER A 450 8.098 13.163 10.561 1.00 62.45 H new ATOM 0 HA SER A 450 8.490 15.333 10.257 1.00 14.34 H new ATOM 0 HB2 SER A 450 10.442 14.839 11.738 1.00 61.41 H new ATOM 0 HB3 SER A 450 11.437 14.571 10.320 1.00 61.41 H new ATOM 0 HG SER A 450 11.642 16.738 11.139 1.00 54.01 H new TER 1354 SER A 450