USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 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 363 MET CE :methyl -130:sc= -2.07 (180deg=-1.73!) USER MOD Set 1.2: A 365 THR OG1 : rot 86:sc= -0.145 USER MOD Set 1.3: A 426 ASN : amide:sc= -0.56 K(o=-3.3,f=-8.9!) USER MOD Set 1.4: A 443 MET CE :methyl 156:sc= -0.505 (180deg=-1.87) USER MOD Set 2.1: A 406 GLN : amide:sc= 0.691 K(o=1.5,f=-1.6) USER MOD Set 2.2: A 407 SER OG : rot -16:sc= 0.78 USER MOD Set 3.1: A 374 TYR OH : rot -40:sc= -0.804 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.566 X(o=-0.24,f=-0.6) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 161:sc= -0.0699 (180deg=-0.466) 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 -110:sc= -1.28 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 : amide:sc= -0.962 K(o=-0.96,f=-2.5!) USER MOD Single : A 386 SER OG : rot -29:sc= 0.288 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.402 F(o=-1.7!,f=-0.4) USER MOD Single : A 394 SER OG : rot -12:sc= 0.959 USER MOD Single : A 395 GLN : amide:sc= -3.36! C(o=-3.4!,f=-5.6!) USER MOD Single : A 398 ASN : amide:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 401 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.458) USER MOD Single : A 402 TYR OH : rot -70:sc= -1.39 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 410 ASN : amide:sc= -1.02 K(o=-1,f=-6.9!) USER MOD Single : A 413 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 415 SER OG : rot 180:sc= -0.336 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 430 SER OG : rot -4:sc= -0.089! USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot 180:sc= 0.0425 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 LYS NZ :NH3+ -125:sc= 1.17 (180deg=-0.0123) USER MOD Single : A 445 SER OG : rot 8:sc= 0.462 USER MOD Single : A 450 SER OG : rot 160:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 5.772 13.194 5.249 1.00 1.32 N ATOM 2 CA TYR A 357 6.931 13.934 4.780 1.00 72.35 C ATOM 3 C TYR A 357 7.418 13.344 3.454 1.00 30.35 C ATOM 4 O TYR A 357 7.141 13.893 2.398 1.00 5.44 O ATOM 5 CB TYR A 357 8.041 13.924 5.845 1.00 32.25 C ATOM 6 CG TYR A 357 9.200 14.851 5.558 1.00 42.02 C ATOM 7 CD1 TYR A 357 9.065 16.215 5.749 1.00 21.41 C ATOM 8 CD2 TYR A 357 10.426 14.370 5.121 1.00 72.23 C ATOM 9 CE1 TYR A 357 10.107 17.076 5.512 1.00 32.10 C ATOM 10 CE2 TYR A 357 11.481 15.231 4.880 1.00 31.02 C ATOM 11 CZ TYR A 357 11.311 16.585 5.078 1.00 64.44 C ATOM 12 OH TYR A 357 12.355 17.454 4.837 1.00 14.55 O ATOM 0 HA TYR A 357 6.652 14.974 4.608 1.00 72.35 H new ATOM 0 HB2 TYR A 357 7.606 14.196 6.807 1.00 32.25 H new ATOM 0 HB3 TYR A 357 8.422 12.908 5.943 1.00 32.25 H new ATOM 0 HD1 TYR A 357 8.120 16.610 6.092 1.00 21.41 H new ATOM 0 HD2 TYR A 357 10.558 13.309 4.967 1.00 72.23 H new ATOM 0 HE1 TYR A 357 9.979 18.137 5.667 1.00 32.10 H new ATOM 0 HE2 TYR A 357 12.431 14.846 4.539 1.00 31.02 H new ATOM 0 HH TYR A 357 13.139 16.948 4.536 1.00 14.55 H new ATOM 24 N ARG A 358 8.112 12.213 3.508 1.00 13.31 N ATOM 25 CA ARG A 358 8.597 11.556 2.305 1.00 32.12 C ATOM 26 C ARG A 358 8.407 10.059 2.396 1.00 51.10 C ATOM 27 O ARG A 358 8.170 9.515 3.474 1.00 64.04 O ATOM 28 CB ARG A 358 10.098 11.797 2.088 1.00 14.30 C ATOM 29 CG ARG A 358 10.537 13.201 1.757 1.00 1.20 C ATOM 30 CD ARG A 358 12.054 13.235 1.586 1.00 25.45 C ATOM 31 NE ARG A 358 12.514 12.341 0.503 1.00 72.25 N ATOM 32 CZ ARG A 358 13.675 11.649 0.505 1.00 70.32 C ATOM 33 NH1 ARG A 358 14.472 11.667 1.570 1.00 21.44 N ATOM 34 NH2 ARG A 358 14.010 10.914 -0.547 1.00 63.24 N ATOM 0 H ARG A 358 8.351 11.733 4.376 1.00 13.31 H new ATOM 0 HA ARG A 358 8.024 11.978 1.479 1.00 32.12 H new ATOM 0 HB2 ARG A 358 10.623 11.485 2.991 1.00 14.30 H new ATOM 0 HB3 ARG A 358 10.431 11.142 1.283 1.00 14.30 H new ATOM 0 HG2 ARG A 358 10.050 13.539 0.842 1.00 1.20 H new ATOM 0 HG3 ARG A 358 10.235 13.884 2.551 1.00 1.20 H new ATOM 0 HD2 ARG A 358 12.371 14.256 1.371 1.00 25.45 H new ATOM 0 HD3 ARG A 358 12.530 12.944 2.522 1.00 25.45 H new ATOM 0 HE ARG A 358 11.907 12.238 -0.310 1.00 72.25 H new ATOM 0 HH11 ARG A 358 14.209 12.206 2.395 1.00 21.44 H new ATOM 0 HH12 ARG A 358 15.346 11.141 1.562 1.00 21.44 H new ATOM 0 HH21 ARG A 358 13.392 10.871 -1.357 1.00 63.24 H new ATOM 0 HH22 ARG A 358 14.886 10.392 -0.546 1.00 63.24 H new ATOM 46 N ALA A 359 8.515 9.422 1.268 1.00 4.02 N ATOM 47 CA ALA A 359 8.561 7.993 1.157 1.00 74.30 C ATOM 48 C ALA A 359 9.582 7.675 0.070 1.00 70.22 C ATOM 49 O ALA A 359 9.693 8.423 -0.916 1.00 52.51 O ATOM 50 CB ALA A 359 7.184 7.409 0.838 1.00 2.30 C ATOM 0 H ALA A 359 8.576 9.899 0.368 1.00 4.02 H new ATOM 0 HA ALA A 359 8.856 7.538 2.103 1.00 74.30 H new ATOM 0 HB1 ALA A 359 7.258 6.324 0.761 1.00 2.30 H new ATOM 0 HB2 ALA A 359 6.485 7.670 1.633 1.00 2.30 H new ATOM 0 HB3 ALA A 359 6.826 7.816 -0.108 1.00 2.30 H new ATOM 56 N ILE A 360 10.336 6.619 0.245 1.00 1.15 N ATOM 57 CA ILE A 360 11.422 6.297 -0.677 1.00 4.23 C ATOM 58 C ILE A 360 10.895 5.557 -1.889 1.00 21.31 C ATOM 59 O ILE A 360 10.371 4.460 -1.764 1.00 11.25 O ATOM 60 CB ILE A 360 12.501 5.418 0.007 1.00 74.04 C ATOM 61 CG1 ILE A 360 13.069 6.104 1.265 1.00 0.13 C ATOM 62 CG2 ILE A 360 13.625 5.065 -0.972 1.00 15.52 C ATOM 63 CD1 ILE A 360 13.739 7.439 1.001 1.00 65.24 C ATOM 0 H ILE A 360 10.226 5.960 1.016 1.00 1.15 H new ATOM 0 HA ILE A 360 11.870 7.242 -0.985 1.00 4.23 H new ATOM 0 HB ILE A 360 12.019 4.492 0.320 1.00 74.04 H new ATOM 0 HG12 ILE A 360 12.260 6.252 1.980 1.00 0.13 H new ATOM 0 HG13 ILE A 360 13.791 5.435 1.734 1.00 0.13 H new ATOM 0 HG21 ILE A 360 14.368 4.448 -0.466 1.00 15.52 H new ATOM 0 HG22 ILE A 360 13.212 4.515 -1.817 1.00 15.52 H new ATOM 0 HG23 ILE A 360 14.096 5.980 -1.330 1.00 15.52 H new ATOM 0 HD11 ILE A 360 14.110 7.852 1.939 1.00 65.24 H new ATOM 0 HD12 ILE A 360 14.572 7.298 0.312 1.00 65.24 H new ATOM 0 HD13 ILE A 360 13.017 8.128 0.562 1.00 65.24 H new ATOM 70 N LYS A 361 11.037 6.156 -3.047 1.00 53.44 N ATOM 71 CA LYS A 361 10.574 5.544 -4.268 1.00 23.15 C ATOM 72 C LYS A 361 11.582 4.540 -4.820 1.00 71.12 C ATOM 73 O LYS A 361 12.776 4.835 -4.922 1.00 65.54 O ATOM 74 CB LYS A 361 10.142 6.575 -5.353 1.00 2.20 C ATOM 75 CG LYS A 361 11.216 7.543 -5.907 1.00 42.34 C ATOM 76 CD LYS A 361 11.738 8.526 -4.865 1.00 43.04 C ATOM 77 CE LYS A 361 12.648 9.577 -5.487 1.00 73.23 C ATOM 78 NZ LYS A 361 11.930 10.409 -6.479 1.00 21.12 N ATOM 0 H LYS A 361 11.472 7.071 -3.169 1.00 53.44 H new ATOM 0 HA LYS A 361 9.672 4.995 -3.997 1.00 23.15 H new ATOM 0 HB2 LYS A 361 9.728 6.020 -6.194 1.00 2.20 H new ATOM 0 HB3 LYS A 361 9.333 7.176 -4.938 1.00 2.20 H new ATOM 0 HG2 LYS A 361 12.051 6.962 -6.299 1.00 42.34 H new ATOM 0 HG3 LYS A 361 10.795 8.101 -6.744 1.00 42.34 H new ATOM 0 HD2 LYS A 361 10.897 9.017 -4.375 1.00 43.04 H new ATOM 0 HD3 LYS A 361 12.284 7.983 -4.094 1.00 43.04 H new ATOM 0 HE2 LYS A 361 13.054 10.216 -4.703 1.00 73.23 H new ATOM 0 HE3 LYS A 361 13.494 9.086 -5.968 1.00 73.23 H new ATOM 0 HZ1 LYS A 361 12.458 11.290 -6.640 1.00 21.12 H new ATOM 0 HZ2 LYS A 361 11.846 9.887 -7.374 1.00 21.12 H new ATOM 0 HZ3 LYS A 361 10.980 10.635 -6.120 1.00 21.12 H new ATOM 92 N GLY A 362 11.087 3.360 -5.157 1.00 55.23 N ATOM 93 CA GLY A 362 11.912 2.305 -5.700 1.00 55.13 C ATOM 94 C GLY A 362 12.864 1.721 -4.677 1.00 31.00 C ATOM 95 O GLY A 362 14.077 1.887 -4.768 1.00 32.32 O ATOM 0 H GLY A 362 10.102 3.112 -5.060 1.00 55.23 H new ATOM 0 HA2 GLY A 362 11.272 1.513 -6.088 1.00 55.13 H new ATOM 0 HA3 GLY A 362 12.484 2.694 -6.542 1.00 55.13 H new ATOM 99 N MET A 363 12.303 1.060 -3.703 1.00 33.00 N ATOM 100 CA MET A 363 13.058 0.362 -2.662 1.00 1.11 C ATOM 101 C MET A 363 12.268 -0.879 -2.266 1.00 10.25 C ATOM 102 O MET A 363 12.832 -1.890 -1.838 1.00 10.21 O ATOM 103 CB MET A 363 13.361 1.275 -1.452 1.00 65.14 C ATOM 104 CG MET A 363 14.249 0.619 -0.389 1.00 20.24 C ATOM 105 SD MET A 363 14.776 1.759 0.928 1.00 34.42 S ATOM 106 CE MET A 363 13.212 2.273 1.611 1.00 41.21 C ATOM 0 H MET A 363 11.292 0.981 -3.595 1.00 33.00 H new ATOM 0 HA MET A 363 14.034 0.067 -3.048 1.00 1.11 H new ATOM 0 HB2 MET A 363 13.847 2.184 -1.807 1.00 65.14 H new ATOM 0 HB3 MET A 363 12.420 1.576 -0.991 1.00 65.14 H new ATOM 0 HG2 MET A 363 13.709 -0.215 0.059 1.00 20.24 H new ATOM 0 HG3 MET A 363 15.133 0.203 -0.873 1.00 20.24 H new ATOM 0 HE1 MET A 363 13.184 3.361 1.677 1.00 41.21 H new ATOM 0 HE2 MET A 363 12.403 1.927 0.968 1.00 41.21 H new ATOM 0 HE3 MET A 363 13.092 1.846 2.607 1.00 41.21 H new ATOM 116 N GLU A 364 10.944 -0.763 -2.440 1.00 33.34 N ATOM 117 CA GLU A 364 9.970 -1.850 -2.334 1.00 14.12 C ATOM 118 C GLU A 364 9.794 -2.466 -0.975 1.00 51.43 C ATOM 119 O GLU A 364 10.735 -2.645 -0.204 1.00 21.41 O ATOM 120 CB GLU A 364 10.128 -2.879 -3.454 1.00 51.42 C ATOM 121 CG GLU A 364 9.670 -2.368 -4.821 1.00 52.05 C ATOM 122 CD GLU A 364 10.339 -1.072 -5.262 1.00 33.00 C ATOM 123 OE1 GLU A 364 9.851 0.039 -4.864 1.00 4.20 O ATOM 124 OE2 GLU A 364 11.351 -1.138 -5.988 1.00 72.12 O ATOM 0 H GLU A 364 10.508 0.130 -2.668 1.00 33.34 H new ATOM 0 HA GLU A 364 9.012 -1.350 -2.480 1.00 14.12 H new ATOM 0 HB2 GLU A 364 11.175 -3.177 -3.518 1.00 51.42 H new ATOM 0 HB3 GLU A 364 9.558 -3.772 -3.199 1.00 51.42 H new ATOM 0 HG2 GLU A 364 9.867 -3.137 -5.568 1.00 52.05 H new ATOM 0 HG3 GLU A 364 8.591 -2.216 -4.796 1.00 52.05 H new ATOM 131 N THR A 365 8.568 -2.739 -0.664 1.00 71.10 N ATOM 132 CA THR A 365 8.230 -3.280 0.603 1.00 44.40 C ATOM 133 C THR A 365 7.383 -4.510 0.419 1.00 63.22 C ATOM 134 O THR A 365 6.450 -4.504 -0.388 1.00 1.52 O ATOM 135 CB THR A 365 7.500 -2.247 1.471 1.00 42.03 C ATOM 136 OG1 THR A 365 8.296 -1.064 1.551 1.00 34.10 O ATOM 137 CG2 THR A 365 7.283 -2.788 2.866 1.00 65.13 C ATOM 0 H THR A 365 7.774 -2.591 -1.287 1.00 71.10 H new ATOM 0 HA THR A 365 9.150 -3.553 1.120 1.00 44.40 H new ATOM 0 HB THR A 365 6.532 -2.026 1.022 1.00 42.03 H new ATOM 0 HG1 THR A 365 8.107 -0.489 0.780 1.00 34.10 H new ATOM 0 HG21 THR A 365 6.764 -2.043 3.469 1.00 65.13 H new ATOM 0 HG22 THR A 365 6.682 -3.696 2.815 1.00 65.13 H new ATOM 0 HG23 THR A 365 8.247 -3.016 3.322 1.00 65.13 H new ATOM 143 N LYS A 366 7.711 -5.549 1.120 1.00 44.14 N ATOM 144 CA LYS A 366 6.956 -6.760 1.102 1.00 50.42 C ATOM 145 C LYS A 366 6.871 -7.302 2.489 1.00 3.43 C ATOM 146 O LYS A 366 7.846 -7.230 3.237 1.00 72.35 O ATOM 147 CB LYS A 366 7.590 -7.788 0.206 1.00 51.41 C ATOM 148 CG LYS A 366 7.650 -7.382 -1.232 1.00 14.24 C ATOM 149 CD LYS A 366 8.287 -8.426 -2.138 1.00 65.51 C ATOM 150 CE LYS A 366 7.462 -9.705 -2.210 1.00 1.23 C ATOM 151 NZ LYS A 366 8.012 -10.671 -3.186 1.00 11.53 N ATOM 0 H LYS A 366 8.526 -5.579 1.732 1.00 44.14 H new ATOM 0 HA LYS A 366 5.961 -6.539 0.716 1.00 50.42 H new ATOM 0 HB2 LYS A 366 8.601 -7.990 0.559 1.00 51.41 H new ATOM 0 HB3 LYS A 366 7.032 -8.721 0.287 1.00 51.41 H new ATOM 0 HG2 LYS A 366 6.639 -7.176 -1.584 1.00 14.24 H new ATOM 0 HG3 LYS A 366 8.212 -6.451 -1.314 1.00 14.24 H new ATOM 0 HD2 LYS A 366 8.403 -8.013 -3.140 1.00 65.51 H new ATOM 0 HD3 LYS A 366 9.287 -8.660 -1.773 1.00 65.51 H new ATOM 0 HE2 LYS A 366 7.426 -10.168 -1.224 1.00 1.23 H new ATOM 0 HE3 LYS A 366 6.436 -9.459 -2.484 1.00 1.23 H new ATOM 0 HZ1 LYS A 366 7.419 -11.525 -3.201 1.00 11.53 H new ATOM 0 HZ2 LYS A 366 8.023 -10.240 -4.133 1.00 11.53 H new ATOM 0 HZ3 LYS A 366 8.982 -10.928 -2.912 1.00 11.53 H new ATOM 165 N ARG A 367 5.735 -7.845 2.847 1.00 64.42 N ATOM 166 CA ARG A 367 5.554 -8.366 4.177 1.00 52.45 C ATOM 167 C ARG A 367 4.360 -9.313 4.155 1.00 35.43 C ATOM 168 O ARG A 367 3.347 -9.014 3.523 1.00 23.21 O ATOM 169 CB ARG A 367 5.351 -7.166 5.133 1.00 72.14 C ATOM 170 CG ARG A 367 5.481 -7.401 6.644 1.00 33.24 C ATOM 171 CD ARG A 367 4.324 -8.104 7.300 1.00 45.55 C ATOM 172 NE ARG A 367 4.492 -8.082 8.766 1.00 64.23 N ATOM 173 CZ ARG A 367 3.732 -8.712 9.678 1.00 64.15 C ATOM 174 NH1 ARG A 367 2.828 -9.604 9.314 1.00 23.43 N ATOM 175 NH2 ARG A 367 3.928 -8.474 10.966 1.00 12.51 N ATOM 0 H ARG A 367 4.923 -7.938 2.237 1.00 64.42 H new ATOM 0 HA ARG A 367 6.418 -8.931 4.528 1.00 52.45 H new ATOM 0 HB2 ARG A 367 6.070 -6.396 4.855 1.00 72.14 H new ATOM 0 HB3 ARG A 367 4.358 -6.758 4.946 1.00 72.14 H new ATOM 0 HG2 ARG A 367 6.385 -7.982 6.826 1.00 33.24 H new ATOM 0 HG3 ARG A 367 5.619 -6.436 7.132 1.00 33.24 H new ATOM 0 HD2 ARG A 367 3.388 -7.618 7.025 1.00 45.55 H new ATOM 0 HD3 ARG A 367 4.265 -9.134 6.947 1.00 45.55 H new ATOM 0 HE ARG A 367 5.269 -7.529 9.126 1.00 64.23 H new ATOM 0 HH11 ARG A 367 2.698 -9.825 8.327 1.00 23.43 H new ATOM 0 HH12 ARG A 367 2.260 -10.072 10.020 1.00 23.43 H new ATOM 0 HH21 ARG A 367 4.651 -7.817 11.259 1.00 12.51 H new ATOM 0 HH22 ARG A 367 3.356 -8.948 11.665 1.00 12.51 H new ATOM 187 N GLU A 368 4.484 -10.441 4.806 1.00 32.34 N ATOM 188 CA GLU A 368 3.415 -11.438 4.805 1.00 33.14 C ATOM 189 C GLU A 368 2.435 -11.148 5.896 1.00 12.44 C ATOM 190 O GLU A 368 2.801 -11.053 7.055 1.00 12.12 O ATOM 191 CB GLU A 368 3.957 -12.860 4.909 1.00 33.11 C ATOM 192 CG GLU A 368 4.833 -13.252 3.737 1.00 33.34 C ATOM 193 CD GLU A 368 5.390 -14.647 3.841 1.00 61.11 C ATOM 194 OE1 GLU A 368 4.687 -15.615 3.471 1.00 42.10 O ATOM 195 OE2 GLU A 368 6.546 -14.803 4.286 1.00 5.20 O ATOM 0 H GLU A 368 5.309 -10.703 5.346 1.00 32.34 H new ATOM 0 HA GLU A 368 2.898 -11.371 3.848 1.00 33.14 H new ATOM 0 HB2 GLU A 368 4.530 -12.957 5.831 1.00 33.11 H new ATOM 0 HB3 GLU A 368 3.121 -13.556 4.979 1.00 33.11 H new ATOM 0 HG2 GLU A 368 4.254 -13.169 2.817 1.00 33.34 H new ATOM 0 HG3 GLU A 368 5.659 -12.545 3.659 1.00 33.34 H new ATOM 202 N ILE A 369 1.193 -10.986 5.527 1.00 63.23 N ATOM 203 CA ILE A 369 0.161 -10.611 6.451 1.00 14.44 C ATOM 204 C ILE A 369 -1.002 -11.523 6.209 1.00 13.04 C ATOM 205 O ILE A 369 -1.455 -11.641 5.088 1.00 32.53 O ATOM 206 CB ILE A 369 -0.278 -9.163 6.172 1.00 45.40 C ATOM 207 CG1 ILE A 369 0.943 -8.257 6.142 1.00 63.44 C ATOM 208 CG2 ILE A 369 -1.241 -8.698 7.258 1.00 34.42 C ATOM 209 CD1 ILE A 369 0.679 -6.887 5.631 1.00 11.02 C ATOM 0 H ILE A 369 0.868 -11.112 4.568 1.00 63.23 H new ATOM 0 HA ILE A 369 0.518 -10.685 7.478 1.00 14.44 H new ATOM 0 HB ILE A 369 -0.782 -9.119 5.207 1.00 45.40 H new ATOM 0 HG12 ILE A 369 1.350 -8.183 7.150 1.00 63.44 H new ATOM 0 HG13 ILE A 369 1.710 -8.721 5.522 1.00 63.44 H new ATOM 0 HG21 ILE A 369 -1.549 -7.672 7.056 1.00 34.42 H new ATOM 0 HG22 ILE A 369 -2.118 -9.345 7.268 1.00 34.42 H new ATOM 0 HG23 ILE A 369 -0.745 -8.744 8.228 1.00 34.42 H new ATOM 0 HD11 ILE A 369 1.603 -6.309 5.644 1.00 11.02 H new ATOM 0 HD12 ILE A 369 0.302 -6.946 4.610 1.00 11.02 H new ATOM 0 HD13 ILE A 369 -0.063 -6.399 6.264 1.00 11.02 H new ATOM 216 N GLY A 370 -1.443 -12.214 7.229 1.00 64.23 N ATOM 217 CA GLY A 370 -2.536 -13.153 7.073 1.00 55.13 C ATOM 218 C GLY A 370 -2.153 -14.339 6.196 1.00 20.23 C ATOM 219 O GLY A 370 -2.998 -15.146 5.832 1.00 74.23 O ATOM 0 H GLY A 370 -1.067 -12.148 8.175 1.00 64.23 H new ATOM 0 HA2 GLY A 370 -2.846 -13.513 8.054 1.00 55.13 H new ATOM 0 HA3 GLY A 370 -3.393 -12.641 6.636 1.00 55.13 H new ATOM 223 N GLY A 371 -0.874 -14.432 5.860 1.00 24.41 N ATOM 224 CA GLY A 371 -0.395 -15.505 5.052 1.00 32.43 C ATOM 225 C GLY A 371 0.009 -15.060 3.669 1.00 3.44 C ATOM 226 O GLY A 371 0.817 -15.715 3.013 1.00 2.23 O ATOM 0 H GLY A 371 -0.158 -13.764 6.145 1.00 24.41 H new ATOM 0 HA2 GLY A 371 0.460 -15.970 5.543 1.00 32.43 H new ATOM 0 HA3 GLY A 371 -1.170 -16.267 4.972 1.00 32.43 H new ATOM 230 N TYR A 372 -0.532 -13.955 3.226 1.00 55.11 N ATOM 231 CA TYR A 372 -0.256 -13.456 1.908 1.00 60.40 C ATOM 232 C TYR A 372 0.798 -12.368 1.954 1.00 44.13 C ATOM 233 O TYR A 372 0.849 -11.584 2.899 1.00 43.34 O ATOM 234 CB TYR A 372 -1.553 -12.987 1.218 1.00 5.15 C ATOM 235 CG TYR A 372 -2.423 -12.059 2.041 1.00 5.41 C ATOM 236 CD1 TYR A 372 -2.081 -10.743 2.227 1.00 11.11 C ATOM 237 CD2 TYR A 372 -3.601 -12.519 2.628 1.00 22.52 C ATOM 238 CE1 TYR A 372 -2.869 -9.903 2.964 1.00 44.02 C ATOM 239 CE2 TYR A 372 -4.405 -11.675 3.370 1.00 3.44 C ATOM 240 CZ TYR A 372 -4.027 -10.364 3.534 1.00 64.11 C ATOM 241 OH TYR A 372 -4.822 -9.500 4.258 1.00 30.34 O ATOM 0 H TYR A 372 -1.175 -13.378 3.769 1.00 55.11 H new ATOM 0 HA TYR A 372 0.151 -14.268 1.305 1.00 60.40 H new ATOM 0 HB2 TYR A 372 -1.289 -12.482 0.289 1.00 5.15 H new ATOM 0 HB3 TYR A 372 -2.140 -13.865 0.948 1.00 5.15 H new ATOM 0 HD1 TYR A 372 -1.172 -10.364 1.783 1.00 11.11 H new ATOM 0 HD2 TYR A 372 -3.890 -13.552 2.501 1.00 22.52 H new ATOM 0 HE1 TYR A 372 -2.578 -8.872 3.098 1.00 44.02 H new ATOM 0 HE2 TYR A 372 -5.318 -12.041 3.815 1.00 3.44 H new ATOM 0 HH TYR A 372 -5.606 -9.982 4.595 1.00 30.34 H new ATOM 251 N THR A 373 1.638 -12.332 0.962 1.00 54.54 N ATOM 252 CA THR A 373 2.693 -11.362 0.911 1.00 4.15 C ATOM 253 C THR A 373 2.192 -10.073 0.283 1.00 64.55 C ATOM 254 O THR A 373 1.729 -10.073 -0.851 1.00 45.41 O ATOM 255 CB THR A 373 3.888 -11.896 0.089 1.00 33.22 C ATOM 256 OG1 THR A 373 4.329 -13.147 0.634 1.00 70.24 O ATOM 257 CG2 THR A 373 5.043 -10.913 0.124 1.00 52.30 C ATOM 0 H THR A 373 1.612 -12.971 0.168 1.00 54.54 H new ATOM 0 HA THR A 373 3.021 -11.168 1.932 1.00 4.15 H new ATOM 0 HB THR A 373 3.562 -12.030 -0.942 1.00 33.22 H new ATOM 0 HG1 THR A 373 5.204 -13.028 1.059 1.00 70.24 H new ATOM 0 HG21 THR A 373 5.874 -11.307 -0.460 1.00 52.30 H new ATOM 0 HG22 THR A 373 4.723 -9.960 -0.298 1.00 52.30 H new ATOM 0 HG23 THR A 373 5.363 -10.764 1.155 1.00 52.30 H new ATOM 263 N TYR A 374 2.276 -8.997 1.007 1.00 14.30 N ATOM 264 CA TYR A 374 1.911 -7.729 0.480 1.00 21.41 C ATOM 265 C TYR A 374 3.113 -7.087 -0.125 1.00 2.44 C ATOM 266 O TYR A 374 4.189 -7.166 0.442 1.00 1.44 O ATOM 267 CB TYR A 374 1.348 -6.837 1.560 1.00 3.23 C ATOM 268 CG TYR A 374 -0.092 -6.551 1.350 1.00 12.32 C ATOM 269 CD1 TYR A 374 -0.484 -5.692 0.344 1.00 30.35 C ATOM 270 CD2 TYR A 374 -1.062 -7.123 2.138 1.00 50.04 C ATOM 271 CE1 TYR A 374 -1.784 -5.409 0.123 1.00 10.34 C ATOM 272 CE2 TYR A 374 -2.397 -6.835 1.914 1.00 1.33 C ATOM 273 CZ TYR A 374 -2.746 -5.980 0.909 1.00 10.53 C ATOM 274 OH TYR A 374 -4.071 -5.701 0.685 1.00 23.02 O ATOM 0 H TYR A 374 2.599 -8.980 1.974 1.00 14.30 H new ATOM 0 HA TYR A 374 1.142 -7.873 -0.279 1.00 21.41 H new ATOM 0 HB2 TYR A 374 1.485 -7.313 2.531 1.00 3.23 H new ATOM 0 HB3 TYR A 374 1.904 -5.900 1.583 1.00 3.23 H new ATOM 0 HD1 TYR A 374 0.268 -5.235 -0.282 1.00 30.35 H new ATOM 0 HD2 TYR A 374 -0.782 -7.798 2.933 1.00 50.04 H new ATOM 0 HE1 TYR A 374 -2.064 -4.734 -0.672 1.00 10.34 H new ATOM 0 HE2 TYR A 374 -3.160 -7.285 2.532 1.00 1.33 H new ATOM 0 HH TYR A 374 -4.173 -4.750 0.471 1.00 23.02 H new ATOM 284 N LYS A 375 2.954 -6.482 -1.268 1.00 0.24 N ATOM 285 CA LYS A 375 4.061 -5.817 -1.913 1.00 30.21 C ATOM 286 C LYS A 375 3.644 -4.452 -2.341 1.00 64.24 C ATOM 287 O LYS A 375 2.620 -4.295 -2.980 1.00 34.33 O ATOM 288 CB LYS A 375 4.561 -6.568 -3.154 1.00 23.53 C ATOM 289 CG LYS A 375 5.830 -5.935 -3.741 1.00 31.41 C ATOM 290 CD LYS A 375 6.228 -6.540 -5.063 1.00 62.11 C ATOM 291 CE LYS A 375 5.286 -6.106 -6.162 1.00 62.51 C ATOM 292 NZ LYS A 375 5.698 -6.633 -7.478 1.00 45.23 N ATOM 0 H LYS A 375 2.071 -6.433 -1.776 1.00 0.24 H new ATOM 0 HA LYS A 375 4.870 -5.779 -1.184 1.00 30.21 H new ATOM 0 HB2 LYS A 375 4.763 -7.607 -2.892 1.00 23.53 H new ATOM 0 HB3 LYS A 375 3.777 -6.577 -3.912 1.00 23.53 H new ATOM 0 HG2 LYS A 375 5.670 -4.865 -3.870 1.00 31.41 H new ATOM 0 HG3 LYS A 375 6.650 -6.051 -3.032 1.00 31.41 H new ATOM 0 HD2 LYS A 375 7.246 -6.241 -5.312 1.00 62.11 H new ATOM 0 HD3 LYS A 375 6.225 -7.627 -4.985 1.00 62.11 H new ATOM 0 HE2 LYS A 375 4.277 -6.450 -5.933 1.00 62.51 H new ATOM 0 HE3 LYS A 375 5.251 -5.017 -6.201 1.00 62.51 H new ATOM 0 HZ1 LYS A 375 5.027 -6.313 -8.205 1.00 45.23 H new ATOM 0 HZ2 LYS A 375 6.650 -6.285 -7.709 1.00 45.23 H new ATOM 0 HZ3 LYS A 375 5.707 -7.673 -7.448 1.00 45.23 H new ATOM 306 N VAL A 376 4.417 -3.483 -2.002 1.00 25.44 N ATOM 307 CA VAL A 376 4.161 -2.141 -2.428 1.00 31.34 C ATOM 308 C VAL A 376 5.387 -1.578 -3.146 1.00 73.05 C ATOM 309 O VAL A 376 6.491 -1.506 -2.573 1.00 35.21 O ATOM 310 CB VAL A 376 3.699 -1.228 -1.241 1.00 32.44 C ATOM 311 CG1 VAL A 376 4.685 -1.258 -0.119 1.00 14.33 C ATOM 312 CG2 VAL A 376 3.467 0.202 -1.687 1.00 22.15 C ATOM 0 H VAL A 376 5.248 -3.591 -1.421 1.00 25.44 H new ATOM 0 HA VAL A 376 3.332 -2.157 -3.135 1.00 31.34 H new ATOM 0 HB VAL A 376 2.751 -1.631 -0.885 1.00 32.44 H new ATOM 0 HG11 VAL A 376 4.336 -0.615 0.689 1.00 14.33 H new ATOM 0 HG12 VAL A 376 4.787 -2.279 0.248 1.00 14.33 H new ATOM 0 HG13 VAL A 376 5.652 -0.902 -0.475 1.00 14.33 H new ATOM 0 HG21 VAL A 376 3.148 0.802 -0.835 1.00 22.15 H new ATOM 0 HG22 VAL A 376 4.392 0.611 -2.093 1.00 22.15 H new ATOM 0 HG23 VAL A 376 2.694 0.223 -2.455 1.00 22.15 H new ATOM 318 N VAL A 377 5.220 -1.259 -4.414 1.00 62.45 N ATOM 319 CA VAL A 377 6.279 -0.661 -5.181 1.00 14.24 C ATOM 320 C VAL A 377 5.959 0.794 -5.311 1.00 62.11 C ATOM 321 O VAL A 377 4.951 1.168 -5.929 1.00 31.03 O ATOM 322 CB VAL A 377 6.408 -1.261 -6.593 1.00 31.11 C ATOM 323 CG1 VAL A 377 7.638 -0.699 -7.288 1.00 33.22 C ATOM 324 CG2 VAL A 377 6.455 -2.771 -6.544 1.00 34.32 C ATOM 0 H VAL A 377 4.354 -1.407 -4.932 1.00 62.45 H new ATOM 0 HA VAL A 377 7.223 -0.843 -4.668 1.00 14.24 H new ATOM 0 HB VAL A 377 5.525 -0.981 -7.168 1.00 31.11 H new ATOM 0 HG11 VAL A 377 7.721 -1.129 -8.286 1.00 33.22 H new ATOM 0 HG12 VAL A 377 7.548 0.384 -7.366 1.00 33.22 H new ATOM 0 HG13 VAL A 377 8.528 -0.949 -6.710 1.00 33.22 H new ATOM 0 HG21 VAL A 377 6.546 -3.165 -7.556 1.00 34.32 H new ATOM 0 HG22 VAL A 377 7.313 -3.089 -5.952 1.00 34.32 H new ATOM 0 HG23 VAL A 377 5.540 -3.149 -6.089 1.00 34.32 H new ATOM 330 N PHE A 378 6.811 1.601 -4.776 1.00 60.54 N ATOM 331 CA PHE A 378 6.584 3.013 -4.687 1.00 70.04 C ATOM 332 C PHE A 378 6.500 3.664 -6.059 1.00 33.42 C ATOM 333 O PHE A 378 7.405 3.529 -6.883 1.00 33.52 O ATOM 334 CB PHE A 378 7.646 3.655 -3.826 1.00 24.14 C ATOM 335 CG PHE A 378 7.679 3.120 -2.416 1.00 43.33 C ATOM 336 CD1 PHE A 378 8.465 2.018 -2.093 1.00 43.22 C ATOM 337 CD2 PHE A 378 6.931 3.717 -1.415 1.00 30.41 C ATOM 338 CE1 PHE A 378 8.502 1.527 -0.805 1.00 3.31 C ATOM 339 CE2 PHE A 378 6.965 3.228 -0.121 1.00 55.00 C ATOM 340 CZ PHE A 378 7.752 2.132 0.183 1.00 63.11 C ATOM 0 H PHE A 378 7.701 1.298 -4.380 1.00 60.54 H new ATOM 0 HA PHE A 378 5.615 3.172 -4.213 1.00 70.04 H new ATOM 0 HB2 PHE A 378 8.621 3.500 -4.288 1.00 24.14 H new ATOM 0 HB3 PHE A 378 7.476 4.731 -3.794 1.00 24.14 H new ATOM 0 HD1 PHE A 378 9.054 1.541 -2.862 1.00 43.22 H new ATOM 0 HD2 PHE A 378 6.315 4.573 -1.647 1.00 30.41 H new ATOM 0 HE1 PHE A 378 9.117 0.671 -0.570 1.00 3.31 H new ATOM 0 HE2 PHE A 378 6.377 3.702 0.651 1.00 55.00 H new ATOM 0 HZ PHE A 378 7.780 1.750 1.193 1.00 63.11 H new ATOM 350 N TYR A 379 5.379 4.353 -6.280 1.00 63.24 N ATOM 351 CA TYR A 379 5.044 5.039 -7.534 1.00 42.22 C ATOM 352 C TYR A 379 4.673 4.084 -8.656 1.00 54.13 C ATOM 353 O TYR A 379 4.548 4.489 -9.804 1.00 73.21 O ATOM 354 CB TYR A 379 6.110 6.069 -7.958 1.00 60.23 C ATOM 355 CG TYR A 379 6.144 7.292 -7.061 1.00 42.21 C ATOM 356 CD1 TYR A 379 6.772 7.263 -5.825 1.00 41.43 C ATOM 357 CD2 TYR A 379 5.516 8.473 -7.450 1.00 53.02 C ATOM 358 CE1 TYR A 379 6.782 8.372 -5.000 1.00 60.20 C ATOM 359 CE2 TYR A 379 5.518 9.585 -6.631 1.00 12.23 C ATOM 360 CZ TYR A 379 6.154 9.529 -5.408 1.00 52.32 C ATOM 361 OH TYR A 379 6.149 10.631 -4.586 1.00 70.24 O ATOM 0 H TYR A 379 4.654 4.453 -5.569 1.00 63.24 H new ATOM 0 HA TYR A 379 4.141 5.611 -7.321 1.00 42.22 H new ATOM 0 HB2 TYR A 379 7.090 5.593 -7.951 1.00 60.23 H new ATOM 0 HB3 TYR A 379 5.916 6.383 -8.984 1.00 60.23 H new ATOM 0 HD1 TYR A 379 7.262 6.357 -5.501 1.00 41.43 H new ATOM 0 HD2 TYR A 379 5.019 8.520 -8.408 1.00 53.02 H new ATOM 0 HE1 TYR A 379 7.279 8.332 -4.042 1.00 60.20 H new ATOM 0 HE2 TYR A 379 5.025 10.493 -6.946 1.00 12.23 H new ATOM 0 HH TYR A 379 5.665 11.363 -5.023 1.00 70.24 H new ATOM 371 N GLU A 380 4.445 2.828 -8.314 1.00 60.31 N ATOM 372 CA GLU A 380 4.027 1.855 -9.295 1.00 3.22 C ATOM 373 C GLU A 380 2.749 1.134 -8.928 1.00 5.31 C ATOM 374 O GLU A 380 1.656 1.522 -9.382 1.00 72.52 O ATOM 375 CB GLU A 380 5.143 0.877 -9.654 1.00 1.24 C ATOM 376 CG GLU A 380 6.208 1.504 -10.511 1.00 43.55 C ATOM 377 CD GLU A 380 7.360 0.596 -10.812 1.00 73.22 C ATOM 378 OE1 GLU A 380 7.221 -0.284 -11.688 1.00 35.21 O ATOM 379 OE2 GLU A 380 8.434 0.762 -10.199 1.00 44.33 O ATOM 0 H GLU A 380 4.543 2.463 -7.366 1.00 60.31 H new ATOM 0 HA GLU A 380 3.798 2.433 -10.191 1.00 3.22 H new ATOM 0 HB2 GLU A 380 5.596 0.496 -8.739 1.00 1.24 H new ATOM 0 HB3 GLU A 380 4.717 0.022 -10.178 1.00 1.24 H new ATOM 0 HG2 GLU A 380 5.760 1.829 -11.450 1.00 43.55 H new ATOM 0 HG3 GLU A 380 6.583 2.397 -10.011 1.00 43.55 H new ATOM 386 N ASN A 381 2.852 0.133 -8.078 1.00 71.21 N ATOM 387 CA ASN A 381 1.721 -0.735 -7.802 1.00 35.31 C ATOM 388 C ASN A 381 1.864 -1.500 -6.495 1.00 54.25 C ATOM 389 O ASN A 381 2.930 -1.531 -5.882 1.00 10.13 O ATOM 390 CB ASN A 381 1.510 -1.694 -8.993 1.00 23.41 C ATOM 391 CG ASN A 381 2.785 -2.452 -9.390 1.00 73.45 C ATOM 392 OD1 ASN A 381 3.626 -2.796 -8.558 1.00 2.30 O ATOM 393 ND2 ASN A 381 2.943 -2.681 -10.664 1.00 35.40 N ATOM 0 H ASN A 381 3.703 -0.101 -7.567 1.00 71.21 H new ATOM 0 HA ASN A 381 0.840 -0.105 -7.679 1.00 35.31 H new ATOM 0 HB2 ASN A 381 0.731 -2.413 -8.739 1.00 23.41 H new ATOM 0 HB3 ASN A 381 1.151 -1.125 -9.851 1.00 23.41 H new ATOM 0 HD21 ASN A 381 3.781 -3.157 -10.996 1.00 35.40 H new ATOM 0 HD22 ASN A 381 2.228 -2.384 -11.328 1.00 35.40 H new ATOM 399 N VAL A 382 0.767 -2.082 -6.072 1.00 5.34 N ATOM 400 CA VAL A 382 0.695 -2.880 -4.867 1.00 5.13 C ATOM 401 C VAL A 382 0.130 -4.243 -5.227 1.00 44.13 C ATOM 402 O VAL A 382 -0.751 -4.343 -6.083 1.00 13.41 O ATOM 403 CB VAL A 382 -0.217 -2.208 -3.779 1.00 11.31 C ATOM 404 CG1 VAL A 382 -0.310 -3.053 -2.513 1.00 70.25 C ATOM 405 CG2 VAL A 382 0.295 -0.840 -3.430 1.00 74.41 C ATOM 0 H VAL A 382 -0.122 -2.013 -6.567 1.00 5.34 H new ATOM 0 HA VAL A 382 1.697 -2.971 -4.448 1.00 5.13 H new ATOM 0 HB VAL A 382 -1.216 -2.126 -4.208 1.00 11.31 H new ATOM 0 HG11 VAL A 382 -0.950 -2.552 -1.787 1.00 70.25 H new ATOM 0 HG12 VAL A 382 -0.732 -4.028 -2.757 1.00 70.25 H new ATOM 0 HG13 VAL A 382 0.686 -3.184 -2.089 1.00 70.25 H new ATOM 0 HG21 VAL A 382 -0.351 -0.392 -2.675 1.00 74.41 H new ATOM 0 HG22 VAL A 382 1.309 -0.920 -3.039 1.00 74.41 H new ATOM 0 HG23 VAL A 382 0.298 -0.214 -4.322 1.00 74.41 H new ATOM 411 N PHE A 383 0.638 -5.265 -4.604 1.00 23.03 N ATOM 412 CA PHE A 383 0.199 -6.622 -4.828 1.00 51.43 C ATOM 413 C PHE A 383 -0.066 -7.344 -3.527 1.00 74.02 C ATOM 414 O PHE A 383 0.535 -7.034 -2.493 1.00 4.33 O ATOM 415 CB PHE A 383 1.221 -7.417 -5.663 1.00 74.24 C ATOM 416 CG PHE A 383 1.243 -7.073 -7.121 1.00 4.33 C ATOM 417 CD1 PHE A 383 1.932 -5.975 -7.587 1.00 74.40 C ATOM 418 CD2 PHE A 383 0.559 -7.860 -8.024 1.00 43.42 C ATOM 419 CE1 PHE A 383 1.937 -5.671 -8.928 1.00 12.03 C ATOM 420 CE2 PHE A 383 0.560 -7.562 -9.364 1.00 23.25 C ATOM 421 CZ PHE A 383 1.249 -6.465 -9.821 1.00 32.43 C ATOM 0 H PHE A 383 1.383 -5.184 -3.912 1.00 23.03 H new ATOM 0 HA PHE A 383 -0.735 -6.559 -5.387 1.00 51.43 H new ATOM 0 HB2 PHE A 383 2.216 -7.250 -5.249 1.00 74.24 H new ATOM 0 HB3 PHE A 383 1.006 -8.481 -5.558 1.00 74.24 H new ATOM 0 HD1 PHE A 383 2.473 -5.348 -6.894 1.00 74.40 H new ATOM 0 HD2 PHE A 383 0.015 -8.724 -7.672 1.00 43.42 H new ATOM 0 HE1 PHE A 383 2.481 -4.808 -9.283 1.00 12.03 H new ATOM 0 HE2 PHE A 383 0.020 -8.189 -10.058 1.00 23.25 H new ATOM 0 HZ PHE A 383 1.252 -6.226 -10.874 1.00 32.43 H new ATOM 431 N GLN A 384 -0.986 -8.267 -3.581 1.00 11.20 N ATOM 432 CA GLN A 384 -1.279 -9.140 -2.491 1.00 73.41 C ATOM 433 C GLN A 384 -1.100 -10.541 -2.994 1.00 72.45 C ATOM 434 O GLN A 384 -1.934 -11.042 -3.765 1.00 20.05 O ATOM 435 CB GLN A 384 -2.706 -8.963 -2.005 1.00 74.32 C ATOM 436 CG GLN A 384 -3.040 -9.799 -0.784 1.00 3.40 C ATOM 437 CD GLN A 384 -4.488 -9.701 -0.394 1.00 23.12 C ATOM 438 OE1 GLN A 384 -5.329 -10.480 -0.834 1.00 53.23 O ATOM 439 NE2 GLN A 384 -4.789 -8.746 0.417 1.00 63.21 N ATOM 0 H GLN A 384 -1.563 -8.432 -4.406 1.00 11.20 H new ATOM 0 HA GLN A 384 -0.617 -8.919 -1.653 1.00 73.41 H new ATOM 0 HB2 GLN A 384 -2.874 -7.912 -1.772 1.00 74.32 H new ATOM 0 HB3 GLN A 384 -3.391 -9.224 -2.812 1.00 74.32 H new ATOM 0 HG2 GLN A 384 -2.791 -10.841 -0.983 1.00 3.40 H new ATOM 0 HG3 GLN A 384 -2.420 -9.477 0.053 1.00 3.40 H new ATOM 0 HE21 GLN A 384 -4.061 -8.120 0.760 1.00 63.21 H new ATOM 0 HE22 GLN A 384 -5.756 -8.616 0.716 1.00 63.21 H new ATOM 447 N ASP A 385 -0.001 -11.142 -2.608 1.00 63.14 N ATOM 448 CA ASP A 385 0.414 -12.504 -3.009 1.00 54.50 C ATOM 449 C ASP A 385 0.864 -12.490 -4.462 1.00 34.34 C ATOM 450 O ASP A 385 2.045 -12.618 -4.768 1.00 33.30 O ATOM 451 CB ASP A 385 -0.721 -13.519 -2.820 1.00 62.31 C ATOM 452 CG ASP A 385 -0.272 -14.954 -2.991 1.00 33.50 C ATOM 453 OD1 ASP A 385 -0.207 -15.441 -4.133 1.00 2.21 O ATOM 454 OD2 ASP A 385 -0.011 -15.629 -1.974 1.00 52.40 O ATOM 0 H ASP A 385 0.669 -10.696 -1.981 1.00 63.14 H new ATOM 0 HA ASP A 385 1.241 -12.810 -2.369 1.00 54.50 H new ATOM 0 HB2 ASP A 385 -1.149 -13.395 -1.825 1.00 62.31 H new ATOM 0 HB3 ASP A 385 -1.514 -13.305 -3.537 1.00 62.31 H new ATOM 459 N SER A 386 -0.088 -12.326 -5.334 1.00 13.41 N ATOM 460 CA SER A 386 0.148 -12.203 -6.744 1.00 13.14 C ATOM 461 C SER A 386 -0.986 -11.384 -7.362 1.00 12.32 C ATOM 462 O SER A 386 -1.002 -11.117 -8.562 1.00 33.21 O ATOM 463 CB SER A 386 0.237 -13.594 -7.399 1.00 31.44 C ATOM 464 OG SER A 386 0.589 -13.507 -8.777 1.00 21.20 O ATOM 0 H SER A 386 -1.074 -12.273 -5.079 1.00 13.41 H new ATOM 0 HA SER A 386 1.097 -11.696 -6.915 1.00 13.14 H new ATOM 0 HB2 SER A 386 0.976 -14.197 -6.872 1.00 31.44 H new ATOM 0 HB3 SER A 386 -0.721 -14.105 -7.300 1.00 31.44 H new ATOM 0 HG SER A 386 0.270 -12.656 -9.143 1.00 21.20 H new ATOM 470 N ILE A 387 -1.928 -10.976 -6.527 1.00 53.44 N ATOM 471 CA ILE A 387 -3.072 -10.219 -6.979 1.00 53.52 C ATOM 472 C ILE A 387 -2.720 -8.745 -7.003 1.00 73.31 C ATOM 473 O ILE A 387 -2.103 -8.244 -6.072 1.00 1.25 O ATOM 474 CB ILE A 387 -4.292 -10.439 -6.036 1.00 51.24 C ATOM 475 CG1 ILE A 387 -4.638 -11.930 -5.959 1.00 62.51 C ATOM 476 CG2 ILE A 387 -5.506 -9.629 -6.509 1.00 4.35 C ATOM 477 CD1 ILE A 387 -5.797 -12.249 -5.039 1.00 71.21 C ATOM 0 H ILE A 387 -1.917 -11.161 -5.524 1.00 53.44 H new ATOM 0 HA ILE A 387 -3.339 -10.559 -7.979 1.00 53.52 H new ATOM 0 HB ILE A 387 -4.022 -10.089 -5.040 1.00 51.24 H new ATOM 0 HG12 ILE A 387 -4.874 -12.289 -6.961 1.00 62.51 H new ATOM 0 HG13 ILE A 387 -3.759 -12.479 -5.622 1.00 62.51 H new ATOM 0 HG21 ILE A 387 -6.344 -9.801 -5.833 1.00 4.35 H new ATOM 0 HG22 ILE A 387 -5.256 -8.568 -6.515 1.00 4.35 H new ATOM 0 HG23 ILE A 387 -5.782 -9.942 -7.516 1.00 4.35 H new ATOM 0 HD11 ILE A 387 -5.978 -13.324 -5.041 1.00 71.21 H new ATOM 0 HD12 ILE A 387 -5.558 -11.923 -4.027 1.00 71.21 H new ATOM 0 HD13 ILE A 387 -6.691 -11.730 -5.386 1.00 71.21 H new ATOM 484 N LEU A 388 -3.115 -8.058 -8.053 1.00 63.12 N ATOM 485 CA LEU A 388 -2.868 -6.645 -8.173 1.00 32.52 C ATOM 486 C LEU A 388 -3.838 -5.920 -7.285 1.00 51.32 C ATOM 487 O LEU A 388 -5.044 -5.952 -7.502 1.00 11.41 O ATOM 488 CB LEU A 388 -3.034 -6.200 -9.637 1.00 24.14 C ATOM 489 CG LEU A 388 -2.907 -4.696 -9.925 1.00 62.32 C ATOM 490 CD1 LEU A 388 -1.525 -4.172 -9.563 1.00 63.04 C ATOM 491 CD2 LEU A 388 -3.232 -4.409 -11.380 1.00 72.34 C ATOM 0 H LEU A 388 -3.615 -8.466 -8.843 1.00 63.12 H new ATOM 0 HA LEU A 388 -1.847 -6.414 -7.868 1.00 32.52 H new ATOM 0 HB2 LEU A 388 -2.291 -6.724 -10.237 1.00 24.14 H new ATOM 0 HB3 LEU A 388 -4.013 -6.530 -9.983 1.00 24.14 H new ATOM 0 HG LEU A 388 -3.627 -4.171 -9.297 1.00 62.32 H new ATOM 0 HD11 LEU A 388 -1.472 -3.105 -9.780 1.00 63.04 H new ATOM 0 HD12 LEU A 388 -1.340 -4.336 -8.501 1.00 63.04 H new ATOM 0 HD13 LEU A 388 -0.771 -4.699 -10.148 1.00 63.04 H new ATOM 0 HD21 LEU A 388 -3.138 -3.340 -11.570 1.00 72.34 H new ATOM 0 HD22 LEU A 388 -2.540 -4.954 -12.022 1.00 72.34 H new ATOM 0 HD23 LEU A 388 -4.252 -4.727 -11.595 1.00 72.34 H new ATOM 499 N LEU A 389 -3.326 -5.315 -6.272 1.00 43.13 N ATOM 500 CA LEU A 389 -4.112 -4.663 -5.325 1.00 63.52 C ATOM 501 C LEU A 389 -4.528 -3.324 -5.887 1.00 51.42 C ATOM 502 O LEU A 389 -5.692 -3.093 -6.117 1.00 1.13 O ATOM 503 CB LEU A 389 -3.254 -4.507 -4.111 1.00 74.35 C ATOM 504 CG LEU A 389 -3.915 -4.377 -2.778 1.00 72.02 C ATOM 505 CD1 LEU A 389 -4.848 -3.188 -2.671 1.00 33.42 C ATOM 506 CD2 LEU A 389 -4.580 -5.671 -2.371 1.00 21.21 C ATOM 0 H LEU A 389 -2.324 -5.267 -6.088 1.00 43.13 H new ATOM 0 HA LEU A 389 -5.019 -5.212 -5.073 1.00 63.52 H new ATOM 0 HB2 LEU A 389 -2.585 -5.367 -4.066 1.00 74.35 H new ATOM 0 HB3 LEU A 389 -2.630 -3.625 -4.258 1.00 74.35 H new ATOM 0 HG LEU A 389 -3.120 -4.171 -2.062 1.00 72.02 H new ATOM 0 HD11 LEU A 389 -5.290 -3.161 -1.675 1.00 33.42 H new ATOM 0 HD12 LEU A 389 -4.288 -2.269 -2.845 1.00 33.42 H new ATOM 0 HD13 LEU A 389 -5.638 -3.278 -3.416 1.00 33.42 H new ATOM 0 HD21 LEU A 389 -5.053 -5.546 -1.397 1.00 21.21 H new ATOM 0 HD22 LEU A 389 -5.336 -5.940 -3.109 1.00 21.21 H new ATOM 0 HD23 LEU A 389 -3.832 -6.462 -2.313 1.00 21.21 H new ATOM 514 N GLY A 390 -3.572 -2.462 -6.130 1.00 51.44 N ATOM 515 CA GLY A 390 -3.890 -1.178 -6.656 1.00 45.11 C ATOM 516 C GLY A 390 -2.708 -0.559 -7.291 1.00 72.13 C ATOM 517 O GLY A 390 -1.578 -0.969 -7.031 1.00 23.20 O ATOM 0 H GLY A 390 -2.579 -2.633 -5.971 1.00 51.44 H new ATOM 0 HA2 GLY A 390 -4.694 -1.269 -7.386 1.00 45.11 H new ATOM 0 HA3 GLY A 390 -4.257 -0.534 -5.857 1.00 45.11 H new ATOM 521 N ASN A 391 -2.945 0.401 -8.119 1.00 62.10 N ATOM 522 CA ASN A 391 -1.893 1.150 -8.746 1.00 30.33 C ATOM 523 C ASN A 391 -1.890 2.524 -8.165 1.00 34.33 C ATOM 524 O ASN A 391 -2.932 3.027 -7.762 1.00 30.15 O ATOM 525 CB ASN A 391 -2.065 1.218 -10.261 1.00 21.54 C ATOM 526 CG ASN A 391 -1.939 -0.131 -10.933 1.00 0.41 C ATOM 527 OD1 ASN A 391 -3.044 -0.798 -11.136 1.00 55.01 O flip ATOM 528 ND2 ASN A 391 -0.846 -0.561 -11.284 1.00 15.25 N flip ATOM 0 H ASN A 391 -3.884 0.697 -8.387 1.00 62.10 H new ATOM 0 HA ASN A 391 -0.943 0.650 -8.559 1.00 30.33 H new ATOM 0 HB2 ASN A 391 -3.042 1.642 -10.491 1.00 21.54 H new ATOM 0 HB3 ASN A 391 -1.318 1.895 -10.676 1.00 21.54 H new ATOM 0 HD21 ASN A 391 -0.003 -0.014 -11.110 1.00 15.25 H new ATOM 0 HD22 ASN A 391 -0.780 -1.466 -11.750 1.00 15.25 H new ATOM 534 N PHE A 392 -0.752 3.126 -8.109 1.00 14.05 N ATOM 535 CA PHE A 392 -0.611 4.433 -7.499 1.00 44.24 C ATOM 536 C PHE A 392 -1.280 5.495 -8.340 1.00 4.14 C ATOM 537 O PHE A 392 -0.970 5.652 -9.523 1.00 32.41 O ATOM 538 CB PHE A 392 0.861 4.761 -7.246 1.00 14.55 C ATOM 539 CG PHE A 392 1.528 3.904 -6.186 1.00 75.43 C ATOM 540 CD1 PHE A 392 1.318 2.535 -6.119 1.00 20.53 C ATOM 541 CD2 PHE A 392 2.389 4.474 -5.278 1.00 4.32 C ATOM 542 CE1 PHE A 392 1.947 1.773 -5.175 1.00 12.42 C ATOM 543 CE2 PHE A 392 3.021 3.715 -4.323 1.00 32.31 C ATOM 544 CZ PHE A 392 2.801 2.364 -4.274 1.00 53.42 C ATOM 0 H PHE A 392 0.116 2.739 -8.480 1.00 14.05 H new ATOM 0 HA PHE A 392 -1.114 4.414 -6.532 1.00 44.24 H new ATOM 0 HB2 PHE A 392 1.410 4.651 -8.181 1.00 14.55 H new ATOM 0 HB3 PHE A 392 0.941 5.807 -6.951 1.00 14.55 H new ATOM 0 HD1 PHE A 392 0.648 2.064 -6.823 1.00 20.53 H new ATOM 0 HD2 PHE A 392 2.572 5.538 -5.316 1.00 4.32 H new ATOM 0 HE1 PHE A 392 1.773 0.708 -5.137 1.00 12.42 H new ATOM 0 HE2 PHE A 392 3.689 4.182 -3.614 1.00 32.31 H new ATOM 0 HZ PHE A 392 3.298 1.763 -3.527 1.00 53.42 H new ATOM 554 N ALA A 393 -2.209 6.195 -7.745 1.00 53.30 N ATOM 555 CA ALA A 393 -2.948 7.203 -8.454 1.00 71.11 C ATOM 556 C ALA A 393 -2.386 8.591 -8.169 1.00 61.13 C ATOM 557 O ALA A 393 -2.132 9.372 -9.092 1.00 63.12 O ATOM 558 CB ALA A 393 -4.420 7.121 -8.073 1.00 64.31 C ATOM 0 H ALA A 393 -2.472 6.084 -6.766 1.00 53.30 H new ATOM 0 HA ALA A 393 -2.852 7.024 -9.525 1.00 71.11 H new ATOM 0 HB1 ALA A 393 -4.978 7.886 -8.612 1.00 64.31 H new ATOM 0 HB2 ALA A 393 -4.809 6.137 -8.334 1.00 64.31 H new ATOM 0 HB3 ALA A 393 -4.528 7.281 -7.000 1.00 64.31 H new ATOM 564 N SER A 394 -2.174 8.884 -6.899 1.00 64.43 N ATOM 565 CA SER A 394 -1.649 10.162 -6.433 1.00 31.31 C ATOM 566 C SER A 394 -1.221 9.991 -4.995 1.00 54.42 C ATOM 567 O SER A 394 -1.860 9.242 -4.243 1.00 10.10 O ATOM 568 CB SER A 394 -2.716 11.276 -6.517 1.00 54.13 C ATOM 569 OG SER A 394 -3.160 11.478 -7.850 1.00 24.13 O ATOM 0 H SER A 394 -2.365 8.227 -6.142 1.00 64.43 H new ATOM 0 HA SER A 394 -0.811 10.455 -7.065 1.00 31.31 H new ATOM 0 HB2 SER A 394 -3.566 11.015 -5.886 1.00 54.13 H new ATOM 0 HB3 SER A 394 -2.303 12.206 -6.126 1.00 54.13 H new ATOM 0 HG SER A 394 -2.560 11.012 -8.469 1.00 24.13 H new ATOM 575 N GLN A 395 -0.143 10.623 -4.611 1.00 34.30 N ATOM 576 CA GLN A 395 0.324 10.517 -3.251 1.00 5.25 C ATOM 577 C GLN A 395 0.489 11.907 -2.707 1.00 64.14 C ATOM 578 O GLN A 395 0.894 12.817 -3.443 1.00 32.04 O ATOM 579 CB GLN A 395 1.651 9.806 -3.243 1.00 73.45 C ATOM 580 CG GLN A 395 1.644 8.565 -4.121 1.00 53.35 C ATOM 581 CD GLN A 395 2.993 7.964 -4.339 1.00 52.54 C ATOM 582 OE1 GLN A 395 3.871 8.016 -3.496 1.00 42.22 O ATOM 583 NE2 GLN A 395 3.179 7.433 -5.501 1.00 13.44 N ATOM 0 H GLN A 395 0.427 11.214 -5.216 1.00 34.30 H new ATOM 0 HA GLN A 395 -0.384 9.958 -2.640 1.00 5.25 H new ATOM 0 HB2 GLN A 395 2.428 10.488 -3.587 1.00 73.45 H new ATOM 0 HB3 GLN A 395 1.904 9.524 -2.221 1.00 73.45 H new ATOM 0 HG2 GLN A 395 0.994 7.817 -3.668 1.00 53.35 H new ATOM 0 HG3 GLN A 395 1.211 8.820 -5.088 1.00 53.35 H new ATOM 0 HE21 GLN A 395 2.417 7.410 -6.179 1.00 13.44 H new ATOM 0 HE22 GLN A 395 4.088 7.037 -5.741 1.00 13.44 H new ATOM 591 N GLU A 396 0.157 12.098 -1.472 1.00 30.41 N ATOM 592 CA GLU A 396 0.276 13.392 -0.880 1.00 41.44 C ATOM 593 C GLU A 396 1.038 13.304 0.427 1.00 30.52 C ATOM 594 O GLU A 396 0.546 12.730 1.405 1.00 13.33 O ATOM 595 CB GLU A 396 -1.112 14.006 -0.698 1.00 43.14 C ATOM 596 CG GLU A 396 -1.117 15.423 -0.162 1.00 2.44 C ATOM 597 CD GLU A 396 -2.490 16.032 -0.213 1.00 62.41 C ATOM 598 OE1 GLU A 396 -3.274 15.852 0.746 1.00 23.22 O ATOM 599 OE2 GLU A 396 -2.819 16.688 -1.233 1.00 53.24 O ATOM 0 H GLU A 396 -0.200 11.372 -0.851 1.00 30.41 H new ATOM 0 HA GLU A 396 0.845 14.047 -1.540 1.00 41.44 H new ATOM 0 HB2 GLU A 396 -1.627 13.994 -1.658 1.00 43.14 H new ATOM 0 HB3 GLU A 396 -1.687 13.375 -0.020 1.00 43.14 H new ATOM 0 HG2 GLU A 396 -0.756 15.424 0.867 1.00 2.44 H new ATOM 0 HG3 GLU A 396 -0.426 16.034 -0.743 1.00 2.44 H new ATOM 606 N GLY A 397 2.242 13.836 0.431 1.00 74.04 N ATOM 607 CA GLY A 397 3.050 13.835 1.624 1.00 61.43 C ATOM 608 C GLY A 397 3.554 12.451 1.962 1.00 55.31 C ATOM 609 O GLY A 397 4.522 11.966 1.376 1.00 32.03 O ATOM 0 H GLY A 397 2.679 14.274 -0.380 1.00 74.04 H new ATOM 0 HA2 GLY A 397 3.897 14.507 1.489 1.00 61.43 H new ATOM 0 HA3 GLY A 397 2.466 14.222 2.459 1.00 61.43 H new ATOM 613 N ASN A 398 2.904 11.830 2.909 1.00 52.11 N ATOM 614 CA ASN A 398 3.233 10.482 3.339 1.00 1.20 C ATOM 615 C ASN A 398 1.994 9.611 3.259 1.00 15.22 C ATOM 616 O ASN A 398 1.930 8.533 3.862 1.00 74.33 O ATOM 617 CB ASN A 398 3.766 10.473 4.783 1.00 25.32 C ATOM 618 CG ASN A 398 2.751 10.953 5.833 1.00 12.42 C ATOM 619 OD1 ASN A 398 1.904 11.805 5.570 1.00 65.04 O ATOM 620 ND2 ASN A 398 2.818 10.389 7.003 1.00 42.00 N ATOM 0 H ASN A 398 2.121 12.244 3.415 1.00 52.11 H new ATOM 0 HA ASN A 398 4.011 10.094 2.681 1.00 1.20 H new ATOM 0 HB2 ASN A 398 4.082 9.461 5.035 1.00 25.32 H new ATOM 0 HB3 ASN A 398 4.652 11.105 4.835 1.00 25.32 H new ATOM 0 HD21 ASN A 398 2.156 10.650 7.734 1.00 42.00 H new ATOM 0 HD22 ASN A 398 3.532 9.685 7.190 1.00 42.00 H new ATOM 626 N VAL A 399 1.018 10.065 2.504 1.00 73.04 N ATOM 627 CA VAL A 399 -0.221 9.339 2.375 1.00 2.51 C ATOM 628 C VAL A 399 -0.374 8.970 0.929 1.00 63.34 C ATOM 629 O VAL A 399 -0.478 9.845 0.055 1.00 73.50 O ATOM 630 CB VAL A 399 -1.434 10.179 2.831 1.00 14.14 C ATOM 631 CG1 VAL A 399 -2.692 9.326 2.843 1.00 21.41 C ATOM 632 CG2 VAL A 399 -1.186 10.800 4.198 1.00 31.23 C ATOM 0 H VAL A 399 1.061 10.934 1.971 1.00 73.04 H new ATOM 0 HA VAL A 399 -0.190 8.456 3.013 1.00 2.51 H new ATOM 0 HB VAL A 399 -1.575 10.992 2.119 1.00 14.14 H new ATOM 0 HG11 VAL A 399 -3.539 9.931 3.166 1.00 21.41 H new ATOM 0 HG12 VAL A 399 -2.882 8.943 1.840 1.00 21.41 H new ATOM 0 HG13 VAL A 399 -2.559 8.491 3.531 1.00 21.41 H new ATOM 0 HG21 VAL A 399 -2.056 11.386 4.495 1.00 31.23 H new ATOM 0 HG22 VAL A 399 -1.013 10.011 4.930 1.00 31.23 H new ATOM 0 HG23 VAL A 399 -0.311 11.448 4.150 1.00 31.23 H new ATOM 638 N LEU A 400 -0.378 7.711 0.663 1.00 21.42 N ATOM 639 CA LEU A 400 -0.334 7.248 -0.681 1.00 53.22 C ATOM 640 C LEU A 400 -1.673 6.599 -1.059 1.00 13.23 C ATOM 641 O LEU A 400 -2.152 5.691 -0.371 1.00 43.31 O ATOM 642 CB LEU A 400 0.821 6.237 -0.827 1.00 71.25 C ATOM 643 CG LEU A 400 2.185 6.589 -0.145 1.00 42.25 C ATOM 644 CD1 LEU A 400 3.239 5.542 -0.460 1.00 73.34 C ATOM 645 CD2 LEU A 400 2.691 7.964 -0.518 1.00 73.20 C ATOM 0 H LEU A 400 -0.412 6.974 1.368 1.00 21.42 H new ATOM 0 HA LEU A 400 -0.162 8.088 -1.355 1.00 53.22 H new ATOM 0 HB2 LEU A 400 0.483 5.281 -0.427 1.00 71.25 H new ATOM 0 HB3 LEU A 400 1.006 6.090 -1.891 1.00 71.25 H new ATOM 0 HG LEU A 400 1.995 6.595 0.928 1.00 42.25 H new ATOM 0 HD11 LEU A 400 4.176 5.812 0.026 1.00 73.34 H new ATOM 0 HD12 LEU A 400 2.907 4.570 -0.095 1.00 73.34 H new ATOM 0 HD13 LEU A 400 3.391 5.492 -1.538 1.00 73.34 H new ATOM 0 HD21 LEU A 400 3.640 8.151 -0.015 1.00 73.20 H new ATOM 0 HD22 LEU A 400 2.836 8.018 -1.597 1.00 73.20 H new ATOM 0 HD23 LEU A 400 1.963 8.715 -0.211 1.00 73.20 H new ATOM 653 N LYS A 401 -2.277 7.077 -2.134 1.00 71.25 N ATOM 654 CA LYS A 401 -3.534 6.529 -2.624 1.00 13.21 C ATOM 655 C LYS A 401 -3.366 5.685 -3.853 1.00 34.14 C ATOM 656 O LYS A 401 -2.824 6.138 -4.879 1.00 41.41 O ATOM 657 CB LYS A 401 -4.604 7.602 -2.839 1.00 74.52 C ATOM 658 CG LYS A 401 -5.460 7.886 -1.611 1.00 20.24 C ATOM 659 CD LYS A 401 -6.280 6.644 -1.217 1.00 75.43 C ATOM 660 CE LYS A 401 -7.223 6.201 -2.348 1.00 24.54 C ATOM 661 NZ LYS A 401 -7.986 4.974 -2.017 1.00 44.15 N ATOM 0 H LYS A 401 -1.914 7.851 -2.690 1.00 71.25 H new ATOM 0 HA LYS A 401 -3.886 5.872 -1.829 1.00 13.21 H new ATOM 0 HB2 LYS A 401 -4.118 8.526 -3.151 1.00 74.52 H new ATOM 0 HB3 LYS A 401 -5.254 7.292 -3.657 1.00 74.52 H new ATOM 0 HG2 LYS A 401 -4.822 8.185 -0.779 1.00 20.24 H new ATOM 0 HG3 LYS A 401 -6.131 8.721 -1.815 1.00 20.24 H new ATOM 0 HD2 LYS A 401 -5.604 5.827 -0.966 1.00 75.43 H new ATOM 0 HD3 LYS A 401 -6.863 6.862 -0.322 1.00 75.43 H new ATOM 0 HE2 LYS A 401 -7.921 7.008 -2.569 1.00 24.54 H new ATOM 0 HE3 LYS A 401 -6.640 6.027 -3.253 1.00 24.54 H new ATOM 0 HZ1 LYS A 401 -8.128 4.410 -2.879 1.00 44.15 H new ATOM 0 HZ2 LYS A 401 -7.456 4.413 -1.320 1.00 44.15 H new ATOM 0 HZ3 LYS A 401 -8.910 5.237 -1.619 1.00 44.15 H new ATOM 675 N TYR A 402 -3.826 4.456 -3.759 1.00 54.40 N ATOM 676 CA TYR A 402 -3.737 3.531 -4.857 1.00 13.42 C ATOM 677 C TYR A 402 -5.153 3.151 -5.267 1.00 3.50 C ATOM 678 O TYR A 402 -6.001 2.951 -4.402 1.00 12.43 O ATOM 679 CB TYR A 402 -2.978 2.256 -4.435 1.00 60.53 C ATOM 680 CG TYR A 402 -1.841 2.484 -3.462 1.00 43.40 C ATOM 681 CD1 TYR A 402 -0.862 3.409 -3.708 1.00 1.51 C ATOM 682 CD2 TYR A 402 -1.754 1.749 -2.292 1.00 33.31 C ATOM 683 CE1 TYR A 402 0.165 3.597 -2.828 1.00 73.20 C ATOM 684 CE2 TYR A 402 -0.719 1.942 -1.406 1.00 50.40 C ATOM 685 CZ TYR A 402 0.229 2.863 -1.683 1.00 55.14 C ATOM 686 OH TYR A 402 1.266 3.054 -0.816 1.00 62.45 O ATOM 0 H TYR A 402 -4.269 4.076 -2.922 1.00 54.40 H new ATOM 0 HA TYR A 402 -3.199 3.997 -5.683 1.00 13.42 H new ATOM 0 HB2 TYR A 402 -3.687 1.560 -3.986 1.00 60.53 H new ATOM 0 HB3 TYR A 402 -2.581 1.774 -5.329 1.00 60.53 H new ATOM 0 HD1 TYR A 402 -0.903 3.999 -4.612 1.00 1.51 H new ATOM 0 HD2 TYR A 402 -2.511 1.012 -2.071 1.00 33.31 H new ATOM 0 HE1 TYR A 402 0.929 4.330 -3.041 1.00 73.20 H new ATOM 0 HE2 TYR A 402 -0.665 1.362 -0.497 1.00 50.40 H new ATOM 0 HH TYR A 402 2.093 2.712 -1.215 1.00 62.45 H new ATOM 696 N GLU A 403 -5.390 3.049 -6.560 1.00 14.04 N ATOM 697 CA GLU A 403 -6.695 2.726 -7.135 1.00 43.02 C ATOM 698 C GLU A 403 -6.505 1.834 -8.343 1.00 74.44 C ATOM 699 O GLU A 403 -5.371 1.557 -8.741 1.00 60.21 O ATOM 700 CB GLU A 403 -7.424 3.991 -7.613 1.00 42.24 C ATOM 701 CG GLU A 403 -7.892 4.961 -6.535 1.00 10.34 C ATOM 702 CD GLU A 403 -8.970 4.369 -5.650 1.00 11.34 C ATOM 703 OE1 GLU A 403 -10.022 3.941 -6.179 1.00 62.13 O ATOM 704 OE2 GLU A 403 -8.805 4.357 -4.426 1.00 44.21 O ATOM 0 H GLU A 403 -4.666 3.191 -7.264 1.00 14.04 H new ATOM 0 HA GLU A 403 -7.283 2.234 -6.360 1.00 43.02 H new ATOM 0 HB2 GLU A 403 -6.762 4.530 -8.291 1.00 42.24 H new ATOM 0 HB3 GLU A 403 -8.293 3.683 -8.194 1.00 42.24 H new ATOM 0 HG2 GLU A 403 -7.041 5.253 -5.920 1.00 10.34 H new ATOM 0 HG3 GLU A 403 -8.271 5.868 -7.006 1.00 10.34 H new ATOM 711 N ASN A 404 -7.617 1.379 -8.910 1.00 62.41 N ATOM 712 CA ASN A 404 -7.632 0.607 -10.165 1.00 14.31 C ATOM 713 C ASN A 404 -6.737 -0.603 -10.162 1.00 24.52 C ATOM 714 O ASN A 404 -5.949 -0.824 -11.083 1.00 24.15 O ATOM 715 CB ASN A 404 -7.414 1.485 -11.408 1.00 13.21 C ATOM 716 CG ASN A 404 -8.669 2.233 -11.869 1.00 14.41 C ATOM 717 OD1 ASN A 404 -9.605 2.494 -10.970 1.00 11.33 O flip ATOM 718 ND2 ASN A 404 -8.812 2.538 -13.046 1.00 13.40 N flip ATOM 0 H ASN A 404 -8.545 1.532 -8.515 1.00 62.41 H new ATOM 0 HA ASN A 404 -8.646 0.212 -10.226 1.00 14.31 H new ATOM 0 HB2 ASN A 404 -6.629 2.210 -11.195 1.00 13.21 H new ATOM 0 HB3 ASN A 404 -7.056 0.858 -12.225 1.00 13.21 H new ATOM 0 HD21 ASN A 404 -8.077 2.327 -13.721 1.00 13.40 H new ATOM 0 HD22 ASN A 404 -9.666 3.004 -13.352 1.00 13.40 H new ATOM 724 N GLY A 405 -6.828 -1.360 -9.109 1.00 43.52 N ATOM 725 CA GLY A 405 -6.157 -2.626 -9.057 1.00 11.05 C ATOM 726 C GLY A 405 -6.944 -3.701 -9.786 1.00 70.24 C ATOM 727 O GLY A 405 -7.674 -3.409 -10.748 1.00 73.33 O ATOM 0 H GLY A 405 -7.361 -1.123 -8.273 1.00 43.52 H new ATOM 0 HA2 GLY A 405 -5.167 -2.533 -9.502 1.00 11.05 H new ATOM 0 HA3 GLY A 405 -6.013 -2.921 -8.018 1.00 11.05 H new ATOM 731 N GLN A 406 -6.844 -4.918 -9.323 1.00 61.21 N ATOM 732 CA GLN A 406 -7.482 -6.043 -9.979 1.00 43.23 C ATOM 733 C GLN A 406 -8.984 -5.965 -9.664 1.00 34.53 C ATOM 734 O GLN A 406 -9.370 -5.570 -8.553 1.00 70.02 O ATOM 735 CB GLN A 406 -6.842 -7.350 -9.438 1.00 63.00 C ATOM 736 CG GLN A 406 -6.908 -8.602 -10.331 1.00 4.14 C ATOM 737 CD GLN A 406 -8.287 -9.120 -10.602 1.00 54.40 C ATOM 738 OE1 GLN A 406 -8.928 -8.744 -11.583 1.00 52.31 O ATOM 739 NE2 GLN A 406 -8.755 -9.970 -9.742 1.00 31.20 N ATOM 0 H GLN A 406 -6.321 -5.164 -8.483 1.00 61.21 H new ATOM 0 HA GLN A 406 -7.347 -6.027 -11.061 1.00 43.23 H new ATOM 0 HB2 GLN A 406 -5.793 -7.146 -9.224 1.00 63.00 H new ATOM 0 HB3 GLN A 406 -7.321 -7.590 -8.488 1.00 63.00 H new ATOM 0 HG2 GLN A 406 -6.429 -8.375 -11.283 1.00 4.14 H new ATOM 0 HG3 GLN A 406 -6.325 -9.395 -9.862 1.00 4.14 H new ATOM 0 HE21 GLN A 406 -8.187 -10.253 -8.943 1.00 31.20 H new ATOM 0 HE22 GLN A 406 -9.691 -10.356 -9.864 1.00 31.20 H new ATOM 747 N SER A 407 -9.799 -6.280 -10.641 1.00 51.14 N ATOM 748 CA SER A 407 -11.234 -6.231 -10.517 1.00 32.00 C ATOM 749 C SER A 407 -11.759 -7.169 -9.431 1.00 53.10 C ATOM 750 O SER A 407 -11.358 -8.334 -9.343 1.00 10.51 O ATOM 751 CB SER A 407 -11.882 -6.529 -11.871 1.00 0.41 C ATOM 752 OG SER A 407 -11.393 -7.753 -12.434 1.00 34.22 O ATOM 0 H SER A 407 -9.477 -6.583 -11.560 1.00 51.14 H new ATOM 0 HA SER A 407 -11.508 -5.223 -10.206 1.00 32.00 H new ATOM 0 HB2 SER A 407 -12.964 -6.590 -11.751 1.00 0.41 H new ATOM 0 HB3 SER A 407 -11.683 -5.707 -12.559 1.00 0.41 H new ATOM 0 HG SER A 407 -10.570 -8.019 -11.973 1.00 34.22 H new ATOM 758 N CYS A 408 -12.627 -6.649 -8.617 1.00 72.54 N ATOM 759 CA CYS A 408 -13.249 -7.391 -7.554 1.00 72.01 C ATOM 760 C CYS A 408 -14.733 -7.568 -7.867 1.00 30.15 C ATOM 761 O CYS A 408 -15.279 -6.824 -8.674 1.00 63.13 O ATOM 762 CB CYS A 408 -13.019 -6.666 -6.223 1.00 33.31 C ATOM 763 SG CYS A 408 -13.441 -4.889 -6.266 1.00 2.44 S ATOM 0 H CYS A 408 -12.931 -5.677 -8.671 1.00 72.54 H new ATOM 0 HA CYS A 408 -12.807 -8.383 -7.468 1.00 72.01 H new ATOM 0 HB2 CYS A 408 -13.613 -7.152 -5.449 1.00 33.31 H new ATOM 0 HB3 CYS A 408 -11.973 -6.774 -5.938 1.00 33.31 H new ATOM 768 N TRP A 409 -15.372 -8.555 -7.267 1.00 63.54 N ATOM 769 CA TRP A 409 -16.775 -8.832 -7.559 1.00 41.11 C ATOM 770 C TRP A 409 -17.659 -7.792 -6.861 1.00 40.24 C ATOM 771 O TRP A 409 -18.705 -7.379 -7.371 1.00 10.42 O ATOM 772 CB TRP A 409 -17.155 -10.271 -7.075 1.00 3.15 C ATOM 773 CG TRP A 409 -17.474 -10.385 -5.618 1.00 3.41 C ATOM 774 CD1 TRP A 409 -16.634 -10.655 -4.601 1.00 32.44 C ATOM 775 CD2 TRP A 409 -18.763 -10.209 -5.047 1.00 4.41 C ATOM 776 NE1 TRP A 409 -17.326 -10.652 -3.411 1.00 72.44 N ATOM 777 CE2 TRP A 409 -18.642 -10.380 -3.670 1.00 72.22 C ATOM 778 CE3 TRP A 409 -20.005 -9.917 -5.592 1.00 32.24 C ATOM 779 CZ2 TRP A 409 -19.728 -10.264 -2.813 1.00 11.35 C ATOM 780 CZ3 TRP A 409 -21.089 -9.803 -4.749 1.00 71.12 C ATOM 781 CH2 TRP A 409 -20.944 -9.977 -3.371 1.00 41.51 C ATOM 0 H TRP A 409 -14.949 -9.177 -6.578 1.00 63.54 H new ATOM 0 HA TRP A 409 -16.933 -8.775 -8.636 1.00 41.11 H new ATOM 0 HB2 TRP A 409 -18.016 -10.615 -7.648 1.00 3.15 H new ATOM 0 HB3 TRP A 409 -16.330 -10.945 -7.305 1.00 3.15 H new ATOM 0 HD1 TRP A 409 -15.576 -10.845 -4.703 1.00 32.44 H new ATOM 0 HE1 TRP A 409 -16.925 -10.824 -2.489 1.00 72.44 H new ATOM 0 HE3 TRP A 409 -20.120 -9.782 -6.657 1.00 32.24 H new ATOM 0 HZ2 TRP A 409 -19.617 -10.395 -1.747 1.00 11.35 H new ATOM 0 HZ3 TRP A 409 -22.062 -9.576 -5.159 1.00 71.12 H new ATOM 0 HH2 TRP A 409 -21.810 -9.883 -2.732 1.00 41.51 H new ATOM 792 N ASN A 410 -17.197 -7.362 -5.710 1.00 32.23 N ATOM 793 CA ASN A 410 -17.931 -6.502 -4.808 1.00 40.12 C ATOM 794 C ASN A 410 -17.596 -5.031 -4.998 1.00 43.12 C ATOM 795 O ASN A 410 -17.967 -4.196 -4.188 1.00 50.01 O ATOM 796 CB ASN A 410 -17.688 -6.960 -3.341 1.00 5.15 C ATOM 797 CG ASN A 410 -16.208 -7.050 -2.926 1.00 43.13 C ATOM 798 OD1 ASN A 410 -15.308 -7.287 -3.747 1.00 43.54 O ATOM 799 ND2 ASN A 410 -15.954 -6.926 -1.654 1.00 53.15 N ATOM 0 H ASN A 410 -16.270 -7.609 -5.364 1.00 32.23 H new ATOM 0 HA ASN A 410 -18.992 -6.596 -5.041 1.00 40.12 H new ATOM 0 HB2 ASN A 410 -18.197 -6.267 -2.671 1.00 5.15 H new ATOM 0 HB3 ASN A 410 -18.150 -7.937 -3.200 1.00 5.15 H new ATOM 0 HD21 ASN A 410 -14.998 -7.024 -1.313 1.00 53.15 H new ATOM 0 HD22 ASN A 410 -16.711 -6.731 -0.999 1.00 53.15 H new ATOM 805 N GLY A 411 -16.929 -4.722 -6.078 1.00 51.24 N ATOM 806 CA GLY A 411 -16.573 -3.358 -6.375 1.00 75.11 C ATOM 807 C GLY A 411 -16.083 -3.259 -7.788 1.00 72.14 C ATOM 808 O GLY A 411 -16.209 -4.219 -8.528 1.00 12.22 O ATOM 0 H GLY A 411 -16.619 -5.402 -6.772 1.00 51.24 H new ATOM 0 HA2 GLY A 411 -17.436 -2.708 -6.233 1.00 75.11 H new ATOM 0 HA3 GLY A 411 -15.800 -3.016 -5.687 1.00 75.11 H new ATOM 812 N PRO A 412 -15.525 -2.131 -8.213 1.00 71.35 N ATOM 813 CA PRO A 412 -15.024 -2.004 -9.574 1.00 15.43 C ATOM 814 C PRO A 412 -13.575 -2.518 -9.729 1.00 65.41 C ATOM 815 O PRO A 412 -13.241 -3.188 -10.702 1.00 73.20 O ATOM 816 CB PRO A 412 -15.081 -0.494 -9.810 1.00 53.42 C ATOM 817 CG PRO A 412 -14.900 0.127 -8.451 1.00 24.33 C ATOM 818 CD PRO A 412 -15.380 -0.886 -7.432 1.00 1.21 C ATOM 0 HA PRO A 412 -15.604 -2.595 -10.283 1.00 15.43 H new ATOM 0 HB2 PRO A 412 -14.298 -0.173 -10.497 1.00 53.42 H new ATOM 0 HB3 PRO A 412 -16.033 -0.201 -10.253 1.00 53.42 H new ATOM 0 HG2 PRO A 412 -13.854 0.380 -8.279 1.00 24.33 H new ATOM 0 HG3 PRO A 412 -15.469 1.053 -8.372 1.00 24.33 H new ATOM 0 HD2 PRO A 412 -14.664 -1.005 -6.619 1.00 1.21 H new ATOM 0 HD3 PRO A 412 -16.326 -0.584 -6.982 1.00 1.21 H new ATOM 826 N HIS A 413 -12.741 -2.231 -8.746 1.00 33.45 N ATOM 827 CA HIS A 413 -11.326 -2.605 -8.730 1.00 42.50 C ATOM 828 C HIS A 413 -10.876 -2.521 -7.315 1.00 1.45 C ATOM 829 O HIS A 413 -11.519 -1.831 -6.518 1.00 41.14 O ATOM 830 CB HIS A 413 -10.430 -1.604 -9.523 1.00 43.31 C ATOM 831 CG HIS A 413 -10.743 -1.427 -10.970 1.00 43.04 C ATOM 832 ND1 HIS A 413 -10.381 -2.327 -11.938 1.00 42.54 N ATOM 833 CD2 HIS A 413 -11.414 -0.445 -11.607 1.00 73.24 C ATOM 834 CE1 HIS A 413 -10.818 -1.910 -13.098 1.00 43.23 C ATOM 835 NE2 HIS A 413 -11.443 -0.771 -12.925 1.00 2.10 N ATOM 0 H HIS A 413 -13.030 -1.719 -7.913 1.00 33.45 H new ATOM 0 HA HIS A 413 -11.233 -3.594 -9.178 1.00 42.50 H new ATOM 0 HB2 HIS A 413 -10.497 -0.630 -9.039 1.00 43.31 H new ATOM 0 HB3 HIS A 413 -9.394 -1.932 -9.437 1.00 43.31 H new ATOM 0 HD2 HIS A 413 -11.847 0.435 -11.154 1.00 73.24 H new ATOM 0 HE1 HIS A 413 -10.686 -2.419 -14.041 1.00 43.23 H new ATOM 0 HE2 HIS A 413 -11.881 -0.218 -13.662 1.00 2.10 H new ATOM 844 N ARG A 414 -9.814 -3.199 -6.981 1.00 12.10 N ATOM 845 CA ARG A 414 -9.237 -3.039 -5.680 1.00 13.02 C ATOM 846 C ARG A 414 -8.416 -1.788 -5.581 1.00 51.41 C ATOM 847 O ARG A 414 -7.971 -1.223 -6.604 1.00 34.51 O ATOM 848 CB ARG A 414 -8.480 -4.266 -5.198 1.00 43.52 C ATOM 849 CG ARG A 414 -9.396 -5.341 -4.685 1.00 3.43 C ATOM 850 CD ARG A 414 -8.654 -6.591 -4.286 1.00 21.15 C ATOM 851 NE ARG A 414 -9.578 -7.589 -3.743 1.00 35.21 N ATOM 852 CZ ARG A 414 -9.663 -8.861 -4.142 1.00 73.41 C ATOM 853 NH1 ARG A 414 -8.859 -9.319 -5.093 1.00 13.54 N ATOM 854 NH2 ARG A 414 -10.556 -9.668 -3.589 1.00 2.33 N ATOM 0 H ARG A 414 -9.334 -3.863 -7.589 1.00 12.10 H new ATOM 0 HA ARG A 414 -10.077 -2.928 -4.994 1.00 13.02 H new ATOM 0 HB2 ARG A 414 -7.880 -4.664 -6.017 1.00 43.52 H new ATOM 0 HB3 ARG A 414 -7.788 -3.975 -4.408 1.00 43.52 H new ATOM 0 HG2 ARG A 414 -9.950 -4.962 -3.826 1.00 3.43 H new ATOM 0 HG3 ARG A 414 -10.128 -5.587 -5.454 1.00 3.43 H new ATOM 0 HD2 ARG A 414 -8.133 -7.002 -5.151 1.00 21.15 H new ATOM 0 HD3 ARG A 414 -7.895 -6.348 -3.542 1.00 21.15 H new ATOM 0 HE ARG A 414 -10.208 -7.288 -2.999 1.00 35.21 H new ATOM 0 HH11 ARG A 414 -8.172 -8.699 -5.523 1.00 13.54 H new ATOM 0 HH12 ARG A 414 -8.928 -10.291 -5.394 1.00 13.54 H new ATOM 0 HH21 ARG A 414 -11.177 -9.318 -2.860 1.00 2.33 H new ATOM 0 HH22 ARG A 414 -10.622 -10.640 -3.892 1.00 2.33 H new ATOM 866 N SER A 415 -8.247 -1.339 -4.381 1.00 62.24 N ATOM 867 CA SER A 415 -7.527 -0.157 -4.103 1.00 65.23 C ATOM 868 C SER A 415 -7.086 -0.152 -2.639 1.00 40.21 C ATOM 869 O SER A 415 -7.527 -0.995 -1.848 1.00 0.25 O ATOM 870 CB SER A 415 -8.402 1.049 -4.432 1.00 31.02 C ATOM 871 OG SER A 415 -9.642 0.980 -3.751 1.00 22.11 O ATOM 0 H SER A 415 -8.618 -1.801 -3.551 1.00 62.24 H new ATOM 0 HA SER A 415 -6.629 -0.108 -4.719 1.00 65.23 H new ATOM 0 HB2 SER A 415 -7.882 1.966 -4.155 1.00 31.02 H new ATOM 0 HB3 SER A 415 -8.576 1.094 -5.507 1.00 31.02 H new ATOM 0 HG SER A 415 -10.184 1.765 -3.977 1.00 22.11 H new ATOM 877 N ALA A 416 -6.226 0.775 -2.276 1.00 43.44 N ATOM 878 CA ALA A 416 -5.728 0.851 -0.934 1.00 71.51 C ATOM 879 C ALA A 416 -5.178 2.218 -0.653 1.00 21.34 C ATOM 880 O ALA A 416 -4.771 2.946 -1.565 1.00 54.23 O ATOM 881 CB ALA A 416 -4.666 -0.216 -0.672 1.00 41.24 C ATOM 0 H ALA A 416 -5.859 1.490 -2.904 1.00 43.44 H new ATOM 0 HA ALA A 416 -6.563 0.664 -0.259 1.00 71.51 H new ATOM 0 HB1 ALA A 416 -4.310 -0.130 0.355 1.00 41.24 H new ATOM 0 HB2 ALA A 416 -5.098 -1.205 -0.825 1.00 41.24 H new ATOM 0 HB3 ALA A 416 -3.831 -0.075 -1.359 1.00 41.24 H new ATOM 887 N ILE A 417 -5.231 2.582 0.572 1.00 61.33 N ATOM 888 CA ILE A 417 -4.654 3.804 1.040 1.00 64.42 C ATOM 889 C ILE A 417 -3.568 3.477 2.056 1.00 15.41 C ATOM 890 O ILE A 417 -3.793 2.710 2.993 1.00 3.40 O ATOM 891 CB ILE A 417 -5.714 4.776 1.649 1.00 13.21 C ATOM 892 CG1 ILE A 417 -5.035 6.069 2.133 1.00 23.41 C ATOM 893 CG2 ILE A 417 -6.522 4.109 2.764 1.00 43.12 C ATOM 894 CD1 ILE A 417 -5.984 7.087 2.729 1.00 35.43 C ATOM 0 H ILE A 417 -5.685 2.033 1.302 1.00 61.33 H new ATOM 0 HA ILE A 417 -4.223 4.327 0.186 1.00 64.42 H new ATOM 0 HB ILE A 417 -6.424 5.038 0.865 1.00 13.21 H new ATOM 0 HG12 ILE A 417 -4.282 5.813 2.878 1.00 23.41 H new ATOM 0 HG13 ILE A 417 -4.511 6.526 1.294 1.00 23.41 H new ATOM 0 HG21 ILE A 417 -7.248 4.818 3.161 1.00 43.12 H new ATOM 0 HG22 ILE A 417 -7.045 3.240 2.365 1.00 43.12 H new ATOM 0 HG23 ILE A 417 -5.850 3.793 3.562 1.00 43.12 H new ATOM 0 HD11 ILE A 417 -5.423 7.967 3.044 1.00 35.43 H new ATOM 0 HD12 ILE A 417 -6.723 7.376 1.982 1.00 35.43 H new ATOM 0 HD13 ILE A 417 -6.490 6.652 3.591 1.00 35.43 H new ATOM 901 N VAL A 418 -2.410 4.014 1.844 1.00 64.04 N ATOM 902 CA VAL A 418 -1.290 3.781 2.713 1.00 41.41 C ATOM 903 C VAL A 418 -0.854 5.037 3.448 1.00 55.34 C ATOM 904 O VAL A 418 -0.688 6.102 2.853 1.00 13.04 O ATOM 905 CB VAL A 418 -0.097 3.098 1.962 1.00 0.42 C ATOM 906 CG1 VAL A 418 1.216 3.344 2.644 1.00 44.02 C ATOM 907 CG2 VAL A 418 -0.305 1.603 1.912 1.00 71.14 C ATOM 0 H VAL A 418 -2.208 4.632 1.058 1.00 64.04 H new ATOM 0 HA VAL A 418 -1.631 3.080 3.475 1.00 41.41 H new ATOM 0 HB VAL A 418 -0.070 3.531 0.962 1.00 0.42 H new ATOM 0 HG11 VAL A 418 2.013 2.851 2.087 1.00 44.02 H new ATOM 0 HG12 VAL A 418 1.410 4.416 2.684 1.00 44.02 H new ATOM 0 HG13 VAL A 418 1.180 2.944 3.657 1.00 44.02 H new ATOM 0 HG21 VAL A 418 0.529 1.137 1.388 1.00 71.14 H new ATOM 0 HG22 VAL A 418 -0.362 1.209 2.927 1.00 71.14 H new ATOM 0 HG23 VAL A 418 -1.233 1.382 1.385 1.00 71.14 H new ATOM 913 N THR A 419 -0.715 4.901 4.734 1.00 43.33 N ATOM 914 CA THR A 419 -0.214 5.942 5.579 1.00 63.04 C ATOM 915 C THR A 419 1.186 5.556 6.037 1.00 52.42 C ATOM 916 O THR A 419 1.353 4.568 6.768 1.00 34.11 O ATOM 917 CB THR A 419 -1.148 6.109 6.800 1.00 20.20 C ATOM 918 OG1 THR A 419 -1.452 4.811 7.329 1.00 51.11 O ATOM 919 CG2 THR A 419 -2.434 6.833 6.423 1.00 24.54 C ATOM 0 H THR A 419 -0.952 4.044 5.234 1.00 43.33 H new ATOM 0 HA THR A 419 -0.176 6.887 5.037 1.00 63.04 H new ATOM 0 HB THR A 419 -0.640 6.713 7.551 1.00 20.20 H new ATOM 0 HG1 THR A 419 -2.043 4.904 8.105 1.00 51.11 H new ATOM 0 HG21 THR A 419 -3.067 6.933 7.305 1.00 24.54 H new ATOM 0 HG22 THR A 419 -2.194 7.823 6.034 1.00 24.54 H new ATOM 0 HG23 THR A 419 -2.963 6.262 5.660 1.00 24.54 H new ATOM 925 N VAL A 420 2.180 6.303 5.608 1.00 13.01 N ATOM 926 CA VAL A 420 3.564 5.982 5.934 1.00 3.34 C ATOM 927 C VAL A 420 4.064 6.880 7.063 1.00 0.32 C ATOM 928 O VAL A 420 4.159 8.086 6.905 1.00 22.31 O ATOM 929 CB VAL A 420 4.488 6.177 4.699 1.00 4.40 C ATOM 930 CG1 VAL A 420 5.898 5.727 5.002 1.00 45.05 C ATOM 931 CG2 VAL A 420 3.949 5.451 3.480 1.00 64.33 C ATOM 0 H VAL A 420 2.062 7.137 5.033 1.00 13.01 H new ATOM 0 HA VAL A 420 3.595 4.938 6.245 1.00 3.34 H new ATOM 0 HB VAL A 420 4.507 7.243 4.472 1.00 4.40 H new ATOM 0 HG11 VAL A 420 6.524 5.874 4.122 1.00 45.05 H new ATOM 0 HG12 VAL A 420 6.296 6.311 5.832 1.00 45.05 H new ATOM 0 HG13 VAL A 420 5.893 4.671 5.271 1.00 45.05 H new ATOM 0 HG21 VAL A 420 4.620 5.609 2.636 1.00 64.33 H new ATOM 0 HG22 VAL A 420 3.879 4.384 3.693 1.00 64.33 H new ATOM 0 HG23 VAL A 420 2.960 5.837 3.234 1.00 64.33 H new ATOM 937 N GLU A 421 4.368 6.296 8.197 1.00 0.50 N ATOM 938 CA GLU A 421 4.851 7.066 9.332 1.00 2.24 C ATOM 939 C GLU A 421 6.341 6.818 9.572 1.00 31.33 C ATOM 940 O GLU A 421 6.991 6.102 8.812 1.00 73.02 O ATOM 941 CB GLU A 421 4.069 6.726 10.589 1.00 63.04 C ATOM 942 CG GLU A 421 2.580 6.955 10.488 1.00 61.14 C ATOM 943 CD GLU A 421 1.884 6.589 11.763 1.00 21.21 C ATOM 944 OE1 GLU A 421 1.778 5.393 12.055 1.00 14.44 O ATOM 945 OE2 GLU A 421 1.478 7.481 12.509 1.00 53.04 O ATOM 0 H GLU A 421 4.292 5.293 8.364 1.00 0.50 H new ATOM 0 HA GLU A 421 4.705 8.120 9.097 1.00 2.24 H new ATOM 0 HB2 GLU A 421 4.246 5.680 10.838 1.00 63.04 H new ATOM 0 HB3 GLU A 421 4.459 7.321 11.415 1.00 63.04 H new ATOM 0 HG2 GLU A 421 2.386 8.002 10.253 1.00 61.14 H new ATOM 0 HG3 GLU A 421 2.174 6.364 9.667 1.00 61.14 H new ATOM 952 N CYS A 422 6.853 7.412 10.621 1.00 42.24 N ATOM 953 CA CYS A 422 8.250 7.308 11.014 1.00 74.52 C ATOM 954 C CYS A 422 8.648 5.876 11.301 1.00 34.15 C ATOM 955 O CYS A 422 7.956 5.161 12.022 1.00 63.20 O ATOM 956 CB CYS A 422 8.494 8.163 12.252 1.00 64.25 C ATOM 957 SG CYS A 422 10.168 8.026 12.989 1.00 70.23 S ATOM 0 H CYS A 422 6.301 7.999 11.247 1.00 42.24 H new ATOM 0 HA CYS A 422 8.860 7.664 10.184 1.00 74.52 H new ATOM 0 HB2 CYS A 422 8.315 9.206 11.993 1.00 64.25 H new ATOM 0 HB3 CYS A 422 7.759 7.892 13.010 1.00 64.25 H new ATOM 962 N GLY A 423 9.741 5.470 10.725 1.00 3.11 N ATOM 963 CA GLY A 423 10.266 4.168 10.945 1.00 21.54 C ATOM 964 C GLY A 423 11.728 4.146 10.628 1.00 74.21 C ATOM 965 O GLY A 423 12.305 5.186 10.290 1.00 0.13 O ATOM 0 H GLY A 423 10.292 6.042 10.086 1.00 3.11 H new ATOM 0 HA2 GLY A 423 10.106 3.873 11.982 1.00 21.54 H new ATOM 0 HA3 GLY A 423 9.739 3.445 10.323 1.00 21.54 H new ATOM 969 N VAL A 424 12.330 3.007 10.738 1.00 34.14 N ATOM 970 CA VAL A 424 13.727 2.841 10.401 1.00 61.13 C ATOM 971 C VAL A 424 13.817 2.282 8.980 1.00 53.21 C ATOM 972 O VAL A 424 14.756 2.553 8.236 1.00 24.41 O ATOM 973 CB VAL A 424 14.426 1.866 11.400 1.00 72.11 C ATOM 974 CG1 VAL A 424 15.909 1.704 11.084 1.00 51.15 C ATOM 975 CG2 VAL A 424 14.238 2.341 12.836 1.00 64.11 C ATOM 0 H VAL A 424 11.874 2.155 11.065 1.00 34.14 H new ATOM 0 HA VAL A 424 14.233 3.805 10.463 1.00 61.13 H new ATOM 0 HB VAL A 424 13.954 0.890 11.288 1.00 72.11 H new ATOM 0 HG11 VAL A 424 16.361 1.018 11.801 1.00 51.15 H new ATOM 0 HG12 VAL A 424 16.025 1.304 10.077 1.00 51.15 H new ATOM 0 HG13 VAL A 424 16.403 2.674 11.149 1.00 51.15 H new ATOM 0 HG21 VAL A 424 14.733 1.648 13.516 1.00 64.11 H new ATOM 0 HG22 VAL A 424 14.673 3.334 12.951 1.00 64.11 H new ATOM 0 HG23 VAL A 424 13.174 2.381 13.070 1.00 64.11 H new ATOM 981 N GLU A 425 12.795 1.550 8.604 1.00 22.04 N ATOM 982 CA GLU A 425 12.722 0.881 7.327 1.00 52.05 C ATOM 983 C GLU A 425 11.302 0.734 6.945 1.00 33.33 C ATOM 984 O GLU A 425 10.403 0.689 7.790 1.00 14.44 O ATOM 985 CB GLU A 425 13.436 -0.478 7.415 1.00 34.53 C ATOM 986 CG GLU A 425 13.454 -1.258 6.124 1.00 30.52 C ATOM 987 CD GLU A 425 14.227 -2.536 6.231 1.00 34.41 C ATOM 988 OE1 GLU A 425 13.694 -3.523 6.775 1.00 1.02 O ATOM 989 OE2 GLU A 425 15.387 -2.578 5.763 1.00 41.44 O ATOM 0 H GLU A 425 11.974 1.400 9.190 1.00 22.04 H new ATOM 0 HA GLU A 425 13.224 1.467 6.557 1.00 52.05 H new ATOM 0 HB2 GLU A 425 14.463 -0.314 7.741 1.00 34.53 H new ATOM 0 HB3 GLU A 425 12.950 -1.081 8.183 1.00 34.53 H new ATOM 0 HG2 GLU A 425 12.430 -1.482 5.825 1.00 30.52 H new ATOM 0 HG3 GLU A 425 13.888 -0.641 5.337 1.00 30.52 H new ATOM 996 N ASN A 426 11.121 0.703 5.690 1.00 10.21 N ATOM 997 CA ASN A 426 9.875 0.590 5.057 1.00 63.40 C ATOM 998 C ASN A 426 9.249 -0.767 5.328 1.00 54.43 C ATOM 999 O ASN A 426 9.681 -1.793 4.809 1.00 24.20 O ATOM 1000 CB ASN A 426 10.056 0.872 3.572 1.00 71.24 C ATOM 1001 CG ASN A 426 11.091 -0.027 2.879 1.00 54.41 C ATOM 1002 OD1 ASN A 426 12.036 -0.526 3.465 1.00 10.30 O ATOM 1003 ND2 ASN A 426 10.946 -0.140 1.644 1.00 64.32 N ATOM 0 H ASN A 426 11.895 0.760 5.029 1.00 10.21 H new ATOM 0 HA ASN A 426 9.178 1.324 5.461 1.00 63.40 H new ATOM 0 HB2 ASN A 426 9.095 0.752 3.072 1.00 71.24 H new ATOM 0 HB3 ASN A 426 10.354 1.913 3.445 1.00 71.24 H new ATOM 0 HD21 ASN A 426 11.630 -0.662 1.096 1.00 64.32 H new ATOM 0 HD22 ASN A 426 10.144 0.290 1.183 1.00 64.32 H new ATOM 1009 N GLU A 427 8.269 -0.761 6.175 1.00 31.11 N ATOM 1010 CA GLU A 427 7.607 -1.967 6.590 1.00 63.15 C ATOM 1011 C GLU A 427 6.095 -1.809 6.494 1.00 22.34 C ATOM 1012 O GLU A 427 5.574 -0.699 6.671 1.00 22.41 O ATOM 1013 CB GLU A 427 8.020 -2.312 8.040 1.00 53.54 C ATOM 1014 CG GLU A 427 7.395 -3.587 8.585 1.00 42.34 C ATOM 1015 CD GLU A 427 7.798 -4.808 7.799 1.00 2.34 C ATOM 1016 OE1 GLU A 427 7.500 -4.881 6.593 1.00 73.15 O ATOM 1017 OE2 GLU A 427 8.403 -5.728 8.384 1.00 31.35 O ATOM 0 H GLU A 427 7.899 0.087 6.605 1.00 31.11 H new ATOM 0 HA GLU A 427 7.906 -2.780 5.929 1.00 63.15 H new ATOM 0 HB2 GLU A 427 9.105 -2.407 8.083 1.00 53.54 H new ATOM 0 HB3 GLU A 427 7.746 -1.481 8.690 1.00 53.54 H new ATOM 0 HG2 GLU A 427 7.689 -3.716 9.627 1.00 42.34 H new ATOM 0 HG3 GLU A 427 6.309 -3.491 8.570 1.00 42.34 H new ATOM 1024 N ILE A 428 5.398 -2.909 6.203 1.00 34.10 N ATOM 1025 CA ILE A 428 3.955 -2.909 6.159 1.00 1.43 C ATOM 1026 C ILE A 428 3.495 -3.213 7.570 1.00 72.34 C ATOM 1027 O ILE A 428 3.841 -4.261 8.132 1.00 75.54 O ATOM 1028 CB ILE A 428 3.391 -4.028 5.236 1.00 62.45 C ATOM 1029 CG1 ILE A 428 4.040 -3.993 3.840 1.00 63.24 C ATOM 1030 CG2 ILE A 428 1.878 -3.850 5.109 1.00 32.13 C ATOM 1031 CD1 ILE A 428 3.704 -2.760 3.036 1.00 14.02 C ATOM 0 H ILE A 428 5.824 -3.812 5.995 1.00 34.10 H new ATOM 0 HA ILE A 428 3.607 -1.950 5.774 1.00 1.43 H new ATOM 0 HB ILE A 428 3.623 -4.995 5.683 1.00 62.45 H new ATOM 0 HG12 ILE A 428 5.122 -4.057 3.952 1.00 63.24 H new ATOM 0 HG13 ILE A 428 3.725 -4.875 3.282 1.00 63.24 H new ATOM 0 HG21 ILE A 428 1.473 -4.630 4.464 1.00 32.13 H new ATOM 0 HG22 ILE A 428 1.419 -3.920 6.095 1.00 32.13 H new ATOM 0 HG23 ILE A 428 1.662 -2.873 4.677 1.00 32.13 H new ATOM 0 HD11 ILE A 428 4.199 -2.812 2.066 1.00 14.02 H new ATOM 0 HD12 ILE A 428 2.625 -2.704 2.890 1.00 14.02 H new ATOM 0 HD13 ILE A 428 4.045 -1.873 3.570 1.00 14.02 H new ATOM 1038 N VAL A 429 2.760 -2.325 8.139 1.00 14.52 N ATOM 1039 CA VAL A 429 2.305 -2.462 9.499 1.00 53.11 C ATOM 1040 C VAL A 429 1.060 -3.326 9.587 1.00 4.44 C ATOM 1041 O VAL A 429 1.012 -4.289 10.355 1.00 13.32 O ATOM 1042 CB VAL A 429 2.023 -1.064 10.116 1.00 5.41 C ATOM 1043 CG1 VAL A 429 1.344 -1.167 11.464 1.00 33.40 C ATOM 1044 CG2 VAL A 429 3.312 -0.273 10.235 1.00 52.44 C ATOM 0 H VAL A 429 2.448 -1.470 7.679 1.00 14.52 H new ATOM 0 HA VAL A 429 3.097 -2.954 10.064 1.00 53.11 H new ATOM 0 HB VAL A 429 1.341 -0.541 9.446 1.00 5.41 H new ATOM 0 HG11 VAL A 429 1.166 -0.167 11.859 1.00 33.40 H new ATOM 0 HG12 VAL A 429 0.393 -1.688 11.354 1.00 33.40 H new ATOM 0 HG13 VAL A 429 1.983 -1.720 12.152 1.00 33.40 H new ATOM 0 HG21 VAL A 429 3.100 0.704 10.669 1.00 52.44 H new ATOM 0 HG22 VAL A 429 4.011 -0.811 10.876 1.00 52.44 H new ATOM 0 HG23 VAL A 429 3.752 -0.144 9.246 1.00 52.44 H new ATOM 1050 N SER A 430 0.075 -3.013 8.788 1.00 62.12 N ATOM 1051 CA SER A 430 -1.204 -3.686 8.850 1.00 32.30 C ATOM 1052 C SER A 430 -1.979 -3.396 7.592 1.00 32.33 C ATOM 1053 O SER A 430 -1.639 -2.469 6.851 1.00 23.10 O ATOM 1054 CB SER A 430 -2.028 -3.187 10.060 1.00 54.41 C ATOM 1055 OG SER A 430 -1.349 -3.379 11.301 1.00 5.22 O ATOM 0 H SER A 430 0.132 -2.286 8.075 1.00 62.12 H new ATOM 0 HA SER A 430 -1.026 -4.756 8.955 1.00 32.30 H new ATOM 0 HB2 SER A 430 -2.251 -2.128 9.932 1.00 54.41 H new ATOM 0 HB3 SER A 430 -2.983 -3.713 10.087 1.00 54.41 H new ATOM 0 HG SER A 430 -0.505 -3.852 11.143 1.00 5.22 H new ATOM 1061 N VAL A 431 -3.000 -4.173 7.364 1.00 30.32 N ATOM 1062 CA VAL A 431 -3.886 -4.017 6.253 1.00 65.51 C ATOM 1063 C VAL A 431 -5.304 -4.325 6.697 1.00 62.32 C ATOM 1064 O VAL A 431 -5.625 -5.443 7.080 1.00 12.31 O ATOM 1065 CB VAL A 431 -3.460 -4.859 5.008 1.00 22.20 C ATOM 1066 CG1 VAL A 431 -3.197 -6.297 5.364 1.00 32.13 C ATOM 1067 CG2 VAL A 431 -4.516 -4.777 3.922 1.00 41.03 C ATOM 0 H VAL A 431 -3.244 -4.958 7.969 1.00 30.32 H new ATOM 0 HA VAL A 431 -3.835 -2.980 5.921 1.00 65.51 H new ATOM 0 HB VAL A 431 -2.528 -4.433 4.635 1.00 22.20 H new ATOM 0 HG11 VAL A 431 -2.904 -6.846 4.469 1.00 32.13 H new ATOM 0 HG12 VAL A 431 -2.395 -6.349 6.100 1.00 32.13 H new ATOM 0 HG13 VAL A 431 -4.101 -6.740 5.781 1.00 32.13 H new ATOM 0 HG21 VAL A 431 -4.201 -5.370 3.063 1.00 41.03 H new ATOM 0 HG22 VAL A 431 -5.461 -5.164 4.303 1.00 41.03 H new ATOM 0 HG23 VAL A 431 -4.646 -3.738 3.618 1.00 41.03 H new ATOM 1073 N LEU A 432 -6.118 -3.336 6.671 1.00 14.11 N ATOM 1074 CA LEU A 432 -7.467 -3.431 7.141 1.00 62.22 C ATOM 1075 C LEU A 432 -8.410 -3.090 6.001 1.00 1.41 C ATOM 1076 O LEU A 432 -8.121 -2.195 5.227 1.00 45.21 O ATOM 1077 CB LEU A 432 -7.656 -2.473 8.311 1.00 21.33 C ATOM 1078 CG LEU A 432 -8.957 -2.600 9.081 1.00 73.30 C ATOM 1079 CD1 LEU A 432 -9.052 -3.983 9.698 1.00 72.21 C ATOM 1080 CD2 LEU A 432 -9.036 -1.532 10.150 1.00 43.03 C ATOM 0 H LEU A 432 -5.868 -2.413 6.316 1.00 14.11 H new ATOM 0 HA LEU A 432 -7.684 -4.443 7.484 1.00 62.22 H new ATOM 0 HB2 LEU A 432 -6.831 -2.617 9.008 1.00 21.33 H new ATOM 0 HB3 LEU A 432 -7.580 -1.453 7.934 1.00 21.33 H new ATOM 0 HG LEU A 432 -9.795 -2.462 8.398 1.00 73.30 H new ATOM 0 HD11 LEU A 432 -9.987 -4.071 10.250 1.00 72.21 H new ATOM 0 HD12 LEU A 432 -9.023 -4.736 8.910 1.00 72.21 H new ATOM 0 HD13 LEU A 432 -8.214 -4.137 10.377 1.00 72.21 H new ATOM 0 HD21 LEU A 432 -9.974 -1.633 10.696 1.00 43.03 H new ATOM 0 HD22 LEU A 432 -8.200 -1.645 10.840 1.00 43.03 H new ATOM 0 HD23 LEU A 432 -8.991 -0.547 9.685 1.00 43.03 H new ATOM 1088 N GLU A 433 -9.498 -3.807 5.852 1.00 31.40 N ATOM 1089 CA GLU A 433 -10.393 -3.535 4.743 1.00 21.50 C ATOM 1090 C GLU A 433 -11.283 -2.341 5.079 1.00 74.10 C ATOM 1091 O GLU A 433 -12.142 -2.406 5.953 1.00 45.13 O ATOM 1092 CB GLU A 433 -11.225 -4.773 4.406 1.00 50.43 C ATOM 1093 CG GLU A 433 -12.109 -4.631 3.179 1.00 53.01 C ATOM 1094 CD GLU A 433 -12.825 -5.915 2.849 1.00 70.24 C ATOM 1095 OE1 GLU A 433 -12.252 -6.754 2.141 1.00 3.54 O ATOM 1096 OE2 GLU A 433 -13.972 -6.113 3.309 1.00 41.23 O ATOM 0 H GLU A 433 -9.785 -4.568 6.468 1.00 31.40 H new ATOM 0 HA GLU A 433 -9.804 -3.287 3.860 1.00 21.50 H new ATOM 0 HB2 GLU A 433 -10.551 -5.616 4.256 1.00 50.43 H new ATOM 0 HB3 GLU A 433 -11.853 -5.016 5.263 1.00 50.43 H new ATOM 0 HG2 GLU A 433 -12.841 -3.841 3.348 1.00 53.01 H new ATOM 0 HG3 GLU A 433 -11.501 -4.325 2.327 1.00 53.01 H new ATOM 1103 N ALA A 434 -11.036 -1.242 4.378 1.00 13.13 N ATOM 1104 CA ALA A 434 -11.714 0.024 4.608 1.00 65.21 C ATOM 1105 C ALA A 434 -13.125 -0.008 4.079 1.00 61.11 C ATOM 1106 O ALA A 434 -14.049 0.545 4.689 1.00 42.53 O ATOM 1107 CB ALA A 434 -10.940 1.158 3.943 1.00 42.13 C ATOM 0 H ALA A 434 -10.350 -1.206 3.624 1.00 13.13 H new ATOM 0 HA ALA A 434 -11.757 0.193 5.684 1.00 65.21 H new ATOM 0 HB1 ALA A 434 -11.455 2.102 4.120 1.00 42.13 H new ATOM 0 HB2 ALA A 434 -9.935 1.208 4.363 1.00 42.13 H new ATOM 0 HB3 ALA A 434 -10.876 0.975 2.870 1.00 42.13 H new ATOM 1113 N GLN A 435 -13.290 -0.642 2.951 1.00 60.33 N ATOM 1114 CA GLN A 435 -14.579 -0.728 2.322 1.00 72.45 C ATOM 1115 C GLN A 435 -14.945 -2.149 1.998 1.00 11.23 C ATOM 1116 O GLN A 435 -15.665 -2.802 2.744 1.00 33.24 O ATOM 1117 CB GLN A 435 -14.635 0.141 1.054 1.00 60.12 C ATOM 1118 CG GLN A 435 -14.606 1.629 1.325 1.00 43.43 C ATOM 1119 CD GLN A 435 -14.583 2.497 0.076 1.00 43.24 C ATOM 1120 OE1 GLN A 435 -13.992 2.020 -0.973 1.00 14.01 O flip ATOM 1121 NE2 GLN A 435 -15.098 3.600 0.072 1.00 41.34 N flip ATOM 0 H GLN A 435 -12.539 -1.111 2.444 1.00 60.33 H new ATOM 0 HA GLN A 435 -15.310 -0.348 3.035 1.00 72.45 H new ATOM 0 HB2 GLN A 435 -13.793 -0.117 0.412 1.00 60.12 H new ATOM 0 HB3 GLN A 435 -15.543 -0.099 0.501 1.00 60.12 H new ATOM 0 HG2 GLN A 435 -15.480 1.894 1.920 1.00 43.43 H new ATOM 0 HG3 GLN A 435 -13.728 1.859 1.928 1.00 43.43 H new ATOM 0 HE21 GLN A 435 -15.557 3.952 0.912 1.00 41.34 H new ATOM 0 HE22 GLN A 435 -15.070 4.173 -0.772 1.00 41.34 H new ATOM 1129 N LYS A 436 -14.400 -2.633 0.911 1.00 71.33 N ATOM 1130 CA LYS A 436 -14.727 -3.935 0.386 1.00 43.41 C ATOM 1131 C LYS A 436 -13.709 -4.334 -0.671 1.00 73.30 C ATOM 1132 O LYS A 436 -13.330 -5.492 -0.794 1.00 4.25 O ATOM 1133 CB LYS A 436 -16.164 -3.901 -0.151 1.00 2.03 C ATOM 1134 CG LYS A 436 -16.422 -2.840 -1.206 1.00 42.35 C ATOM 1135 CD LYS A 436 -17.897 -2.611 -1.359 1.00 13.42 C ATOM 1136 CE LYS A 436 -18.207 -1.641 -2.491 1.00 1.53 C ATOM 1137 NZ LYS A 436 -19.658 -1.420 -2.648 1.00 63.43 N ATOM 0 H LYS A 436 -13.708 -2.128 0.358 1.00 71.33 H new ATOM 0 HA LYS A 436 -14.681 -4.695 1.166 1.00 43.41 H new ATOM 0 HB2 LYS A 436 -16.404 -4.878 -0.571 1.00 2.03 H new ATOM 0 HB3 LYS A 436 -16.846 -3.737 0.684 1.00 2.03 H new ATOM 0 HG2 LYS A 436 -15.929 -1.909 -0.925 1.00 42.35 H new ATOM 0 HG3 LYS A 436 -15.994 -3.152 -2.159 1.00 42.35 H new ATOM 0 HD2 LYS A 436 -18.394 -3.562 -1.550 1.00 13.42 H new ATOM 0 HD3 LYS A 436 -18.303 -2.221 -0.425 1.00 13.42 H new ATOM 0 HE2 LYS A 436 -17.714 -0.688 -2.297 1.00 1.53 H new ATOM 0 HE3 LYS A 436 -17.796 -2.029 -3.423 1.00 1.53 H new ATOM 0 HZ1 LYS A 436 -19.825 -0.754 -3.429 1.00 63.43 H new ATOM 0 HZ2 LYS A 436 -20.126 -2.325 -2.858 1.00 63.43 H new ATOM 0 HZ3 LYS A 436 -20.046 -1.026 -1.767 1.00 63.43 H new ATOM 1151 N CYS A 437 -13.274 -3.353 -1.422 1.00 72.34 N ATOM 1152 CA CYS A 437 -12.214 -3.525 -2.399 1.00 73.44 C ATOM 1153 C CYS A 437 -11.076 -2.580 -2.095 1.00 12.11 C ATOM 1154 O CYS A 437 -10.049 -2.607 -2.729 1.00 44.14 O ATOM 1155 CB CYS A 437 -12.743 -3.259 -3.796 1.00 55.23 C ATOM 1156 SG CYS A 437 -13.994 -4.452 -4.360 1.00 14.14 S ATOM 0 H CYS A 437 -13.645 -2.404 -1.376 1.00 72.34 H new ATOM 0 HA CYS A 437 -11.851 -4.551 -2.347 1.00 73.44 H new ATOM 0 HB2 CYS A 437 -13.173 -2.258 -3.825 1.00 55.23 H new ATOM 0 HB3 CYS A 437 -11.908 -3.267 -4.496 1.00 55.23 H new ATOM 1161 N GLU A 438 -11.273 -1.784 -1.091 1.00 54.23 N ATOM 1162 CA GLU A 438 -10.327 -0.787 -0.688 1.00 45.32 C ATOM 1163 C GLU A 438 -9.881 -1.074 0.717 1.00 75.05 C ATOM 1164 O GLU A 438 -10.709 -1.397 1.587 1.00 2.34 O ATOM 1165 CB GLU A 438 -10.925 0.612 -0.822 1.00 11.32 C ATOM 1166 CG GLU A 438 -10.063 1.727 -0.238 1.00 15.05 C ATOM 1167 CD GLU A 438 -10.630 3.108 -0.460 1.00 75.53 C ATOM 1168 OE1 GLU A 438 -10.334 3.716 -1.496 1.00 20.41 O ATOM 1169 OE2 GLU A 438 -11.355 3.621 0.413 1.00 33.12 O ATOM 0 H GLU A 438 -12.114 -1.809 -0.515 1.00 54.23 H new ATOM 0 HA GLU A 438 -9.455 -0.820 -1.342 1.00 45.32 H new ATOM 0 HB2 GLU A 438 -11.099 0.819 -1.878 1.00 11.32 H new ATOM 0 HB3 GLU A 438 -11.898 0.626 -0.330 1.00 11.32 H new ATOM 0 HG2 GLU A 438 -9.944 1.560 0.833 1.00 15.05 H new ATOM 0 HG3 GLU A 438 -9.068 1.676 -0.681 1.00 15.05 H new ATOM 1176 N TYR A 439 -8.597 -0.997 0.932 1.00 72.21 N ATOM 1177 CA TYR A 439 -8.000 -1.358 2.190 1.00 12.42 C ATOM 1178 C TYR A 439 -7.148 -0.204 2.716 1.00 51.52 C ATOM 1179 O TYR A 439 -6.629 0.588 1.938 1.00 71.42 O ATOM 1180 CB TYR A 439 -7.111 -2.609 1.967 1.00 70.20 C ATOM 1181 CG TYR A 439 -7.842 -3.728 1.234 1.00 11.24 C ATOM 1182 CD1 TYR A 439 -7.860 -3.767 -0.155 1.00 13.33 C ATOM 1183 CD2 TYR A 439 -8.538 -4.704 1.919 1.00 21.41 C ATOM 1184 CE1 TYR A 439 -8.554 -4.739 -0.833 1.00 62.42 C ATOM 1185 CE2 TYR A 439 -9.231 -5.693 1.241 1.00 12.33 C ATOM 1186 CZ TYR A 439 -9.237 -5.701 -0.135 1.00 54.30 C ATOM 1187 OH TYR A 439 -9.943 -6.671 -0.816 1.00 63.52 O ATOM 0 H TYR A 439 -7.927 -0.678 0.232 1.00 72.21 H new ATOM 0 HA TYR A 439 -8.778 -1.575 2.922 1.00 12.42 H new ATOM 0 HB2 TYR A 439 -6.227 -2.324 1.397 1.00 70.20 H new ATOM 0 HB3 TYR A 439 -6.763 -2.979 2.931 1.00 70.20 H new ATOM 0 HD1 TYR A 439 -7.317 -3.018 -0.712 1.00 13.33 H new ATOM 0 HD2 TYR A 439 -8.542 -4.696 2.999 1.00 21.41 H new ATOM 0 HE1 TYR A 439 -8.562 -4.745 -1.913 1.00 62.42 H new ATOM 0 HE2 TYR A 439 -9.765 -6.455 1.790 1.00 12.33 H new ATOM 0 HH TYR A 439 -10.369 -7.277 -0.174 1.00 63.52 H new ATOM 1197 N LEU A 440 -7.037 -0.092 4.014 1.00 72.34 N ATOM 1198 CA LEU A 440 -6.152 0.871 4.604 1.00 24.25 C ATOM 1199 C LEU A 440 -4.957 0.138 5.140 1.00 13.14 C ATOM 1200 O LEU A 440 -5.085 -0.817 5.919 1.00 11.11 O ATOM 1201 CB LEU A 440 -6.793 1.800 5.691 1.00 21.44 C ATOM 1202 CG LEU A 440 -7.384 1.175 6.975 1.00 73.11 C ATOM 1203 CD1 LEU A 440 -7.610 2.265 8.006 1.00 50.32 C ATOM 1204 CD2 LEU A 440 -8.712 0.515 6.689 1.00 22.55 C ATOM 0 H LEU A 440 -7.553 -0.661 4.684 1.00 72.34 H new ATOM 0 HA LEU A 440 -5.869 1.569 3.816 1.00 24.25 H new ATOM 0 HB2 LEU A 440 -6.032 2.517 5.998 1.00 21.44 H new ATOM 0 HB3 LEU A 440 -7.589 2.367 5.208 1.00 21.44 H new ATOM 0 HG LEU A 440 -6.681 0.429 7.346 1.00 73.11 H new ATOM 0 HD11 LEU A 440 -8.027 1.827 8.913 1.00 50.32 H new ATOM 0 HD12 LEU A 440 -6.661 2.748 8.239 1.00 50.32 H new ATOM 0 HD13 LEU A 440 -8.305 3.004 7.608 1.00 50.32 H new ATOM 0 HD21 LEU A 440 -9.109 0.082 7.607 1.00 22.55 H new ATOM 0 HD22 LEU A 440 -9.412 1.257 6.306 1.00 22.55 H new ATOM 0 HD23 LEU A 440 -8.575 -0.272 5.947 1.00 22.55 H new ATOM 1212 N ILE A 441 -3.828 0.532 4.682 1.00 32.43 N ATOM 1213 CA ILE A 441 -2.583 -0.083 5.026 1.00 71.13 C ATOM 1214 C ILE A 441 -1.662 0.954 5.635 1.00 10.24 C ATOM 1215 O ILE A 441 -1.493 2.043 5.098 1.00 65.30 O ATOM 1216 CB ILE A 441 -1.940 -0.693 3.746 1.00 24.21 C ATOM 1217 CG1 ILE A 441 -2.811 -1.834 3.203 1.00 30.32 C ATOM 1218 CG2 ILE A 441 -0.509 -1.171 4.002 1.00 40.12 C ATOM 1219 CD1 ILE A 441 -2.428 -2.323 1.821 1.00 61.42 C ATOM 0 H ILE A 441 -3.732 1.316 4.036 1.00 32.43 H new ATOM 0 HA ILE A 441 -2.749 -0.878 5.753 1.00 71.13 H new ATOM 0 HB ILE A 441 -1.886 0.093 2.993 1.00 24.21 H new ATOM 0 HG12 ILE A 441 -2.760 -2.673 3.897 1.00 30.32 H new ATOM 0 HG13 ILE A 441 -3.849 -1.501 3.181 1.00 30.32 H new ATOM 0 HG21 ILE A 441 -0.096 -1.590 3.085 1.00 40.12 H new ATOM 0 HG22 ILE A 441 0.104 -0.329 4.325 1.00 40.12 H new ATOM 0 HG23 ILE A 441 -0.514 -1.935 4.780 1.00 40.12 H new ATOM 0 HD11 ILE A 441 -3.098 -3.129 1.521 1.00 61.42 H new ATOM 0 HD12 ILE A 441 -2.508 -1.501 1.109 1.00 61.42 H new ATOM 0 HD13 ILE A 441 -1.402 -2.691 1.837 1.00 61.42 H new ATOM 1226 N LYS A 442 -1.096 0.649 6.760 1.00 71.02 N ATOM 1227 CA LYS A 442 -0.190 1.562 7.367 1.00 40.13 C ATOM 1228 C LYS A 442 1.225 1.047 7.242 1.00 53.41 C ATOM 1229 O LYS A 442 1.450 -0.152 7.291 1.00 12.23 O ATOM 1230 CB LYS A 442 -0.603 1.893 8.793 1.00 61.52 C ATOM 1231 CG LYS A 442 0.301 2.899 9.479 1.00 73.12 C ATOM 1232 CD LYS A 442 -0.348 3.478 10.712 1.00 12.33 C ATOM 1233 CE LYS A 442 -0.735 2.422 11.705 1.00 53.22 C ATOM 1234 NZ LYS A 442 -1.297 3.009 12.929 1.00 63.31 N ATOM 0 H LYS A 442 -1.246 -0.221 7.272 1.00 71.02 H new ATOM 0 HA LYS A 442 -0.225 2.513 6.835 1.00 40.13 H new ATOM 0 HB2 LYS A 442 -1.621 2.282 8.785 1.00 61.52 H new ATOM 0 HB3 LYS A 442 -0.617 0.974 9.379 1.00 61.52 H new ATOM 0 HG2 LYS A 442 1.240 2.418 9.753 1.00 73.12 H new ATOM 0 HG3 LYS A 442 0.545 3.703 8.784 1.00 73.12 H new ATOM 0 HD2 LYS A 442 0.338 4.182 11.183 1.00 12.33 H new ATOM 0 HD3 LYS A 442 -1.234 4.042 10.422 1.00 12.33 H new ATOM 0 HE2 LYS A 442 -1.465 1.749 11.255 1.00 53.22 H new ATOM 0 HE3 LYS A 442 0.139 1.821 11.957 1.00 53.22 H new ATOM 0 HZ1 LYS A 442 -1.553 2.250 13.592 1.00 63.31 H new ATOM 0 HZ2 LYS A 442 -0.591 3.632 13.371 1.00 63.31 H new ATOM 0 HZ3 LYS A 442 -2.145 3.562 12.691 1.00 63.31 H new ATOM 1248 N MET A 443 2.152 1.941 7.019 1.00 43.35 N ATOM 1249 CA MET A 443 3.527 1.608 6.799 1.00 42.31 C ATOM 1250 C MET A 443 4.397 2.544 7.569 1.00 40.25 C ATOM 1251 O MET A 443 3.926 3.555 8.102 1.00 42.43 O ATOM 1252 CB MET A 443 3.892 1.718 5.320 1.00 31.33 C ATOM 1253 CG MET A 443 3.200 0.733 4.406 1.00 43.44 C ATOM 1254 SD MET A 443 3.713 0.920 2.684 1.00 4.50 S ATOM 1255 CE MET A 443 5.490 0.724 2.828 1.00 24.51 C ATOM 0 H MET A 443 1.963 2.943 6.985 1.00 43.35 H new ATOM 0 HA MET A 443 3.679 0.580 7.128 1.00 42.31 H new ATOM 0 HB2 MET A 443 3.660 2.727 4.980 1.00 31.33 H new ATOM 0 HB3 MET A 443 4.969 1.587 5.218 1.00 31.33 H new ATOM 0 HG2 MET A 443 3.416 -0.282 4.739 1.00 43.44 H new ATOM 0 HG3 MET A 443 2.121 0.869 4.478 1.00 43.44 H new ATOM 0 HE1 MET A 443 5.898 0.392 1.873 1.00 24.51 H new ATOM 0 HE2 MET A 443 5.940 1.678 3.102 1.00 24.51 H new ATOM 0 HE3 MET A 443 5.713 -0.017 3.596 1.00 24.51 H new ATOM 1265 N LYS A 444 5.646 2.217 7.645 1.00 32.52 N ATOM 1266 CA LYS A 444 6.617 3.065 8.280 1.00 60.41 C ATOM 1267 C LYS A 444 7.777 3.174 7.355 1.00 72.10 C ATOM 1268 O LYS A 444 7.996 2.284 6.538 1.00 33.04 O ATOM 1269 CB LYS A 444 7.104 2.471 9.581 1.00 13.42 C ATOM 1270 CG LYS A 444 6.027 2.125 10.541 1.00 70.20 C ATOM 1271 CD LYS A 444 5.519 3.348 11.230 1.00 30.21 C ATOM 1272 CE LYS A 444 4.402 2.963 12.129 1.00 0.24 C ATOM 1273 NZ LYS A 444 3.866 4.061 12.969 1.00 3.44 N ATOM 0 H LYS A 444 6.029 1.350 7.268 1.00 32.52 H new ATOM 0 HA LYS A 444 6.164 4.033 8.495 1.00 60.41 H new ATOM 0 HB2 LYS A 444 7.681 1.572 9.362 1.00 13.42 H new ATOM 0 HB3 LYS A 444 7.784 3.178 10.057 1.00 13.42 H new ATOM 0 HG2 LYS A 444 5.209 1.632 10.015 1.00 70.20 H new ATOM 0 HG3 LYS A 444 6.405 1.417 11.279 1.00 70.20 H new ATOM 0 HD2 LYS A 444 6.319 3.818 11.802 1.00 30.21 H new ATOM 0 HD3 LYS A 444 5.178 4.080 10.497 1.00 30.21 H new ATOM 0 HE2 LYS A 444 3.590 2.560 11.523 1.00 0.24 H new ATOM 0 HE3 LYS A 444 4.742 2.159 12.782 1.00 0.24 H new ATOM 0 HZ1 LYS A 444 3.896 3.779 13.970 1.00 3.44 H new ATOM 0 HZ2 LYS A 444 4.443 4.916 12.833 1.00 3.44 H new ATOM 0 HZ3 LYS A 444 2.883 4.260 12.695 1.00 3.44 H new ATOM 1287 N SER A 445 8.487 4.243 7.457 1.00 11.15 N ATOM 1288 CA SER A 445 9.681 4.494 6.636 1.00 43.12 C ATOM 1289 C SER A 445 10.545 5.584 7.273 1.00 34.31 C ATOM 1290 O SER A 445 10.023 6.475 7.952 1.00 51.34 O ATOM 1291 CB SER A 445 9.302 4.898 5.179 1.00 65.22 C ATOM 1292 OG SER A 445 8.658 3.843 4.491 1.00 42.12 O ATOM 0 H SER A 445 8.275 4.994 8.114 1.00 11.15 H new ATOM 0 HA SER A 445 10.250 3.565 6.590 1.00 43.12 H new ATOM 0 HB2 SER A 445 8.648 5.769 5.202 1.00 65.22 H new ATOM 0 HB3 SER A 445 10.202 5.189 4.637 1.00 65.22 H new ATOM 0 HG SER A 445 8.466 3.114 5.117 1.00 42.12 H new ATOM 1298 N PRO A 446 11.876 5.538 7.063 1.00 4.44 N ATOM 1299 CA PRO A 446 12.811 6.531 7.630 1.00 45.33 C ATOM 1300 C PRO A 446 12.565 7.939 7.085 1.00 53.34 C ATOM 1301 O PRO A 446 12.820 8.935 7.758 1.00 53.22 O ATOM 1302 CB PRO A 446 14.191 6.020 7.173 1.00 63.14 C ATOM 1303 CG PRO A 446 13.906 5.159 5.992 1.00 32.21 C ATOM 1304 CD PRO A 446 12.593 4.506 6.282 1.00 14.20 C ATOM 0 HA PRO A 446 12.705 6.618 8.711 1.00 45.33 H new ATOM 0 HB2 PRO A 446 14.851 6.846 6.910 1.00 63.14 H new ATOM 0 HB3 PRO A 446 14.686 5.456 7.964 1.00 63.14 H new ATOM 0 HG2 PRO A 446 13.857 5.750 5.078 1.00 32.21 H new ATOM 0 HG3 PRO A 446 14.691 4.416 5.849 1.00 32.21 H new ATOM 0 HD2 PRO A 446 12.059 4.248 5.367 1.00 14.20 H new ATOM 0 HD3 PRO A 446 12.717 3.584 6.849 1.00 14.20 H new ATOM 1312 N ALA A 447 12.028 8.001 5.884 1.00 45.54 N ATOM 1313 CA ALA A 447 11.781 9.258 5.203 1.00 31.31 C ATOM 1314 C ALA A 447 10.467 9.902 5.652 1.00 30.21 C ATOM 1315 O ALA A 447 10.202 11.066 5.369 1.00 23.30 O ATOM 1316 CB ALA A 447 11.788 9.029 3.704 1.00 61.12 C ATOM 0 H ALA A 447 11.749 7.178 5.349 1.00 45.54 H new ATOM 0 HA ALA A 447 12.578 9.954 5.466 1.00 31.31 H new ATOM 0 HB1 ALA A 447 11.603 9.973 3.191 1.00 61.12 H new ATOM 0 HB2 ALA A 447 12.758 8.636 3.401 1.00 61.12 H new ATOM 0 HB3 ALA A 447 11.008 8.314 3.442 1.00 61.12 H new ATOM 1322 N ALA A 448 9.653 9.144 6.364 1.00 3.43 N ATOM 1323 CA ALA A 448 8.368 9.643 6.836 1.00 44.42 C ATOM 1324 C ALA A 448 8.481 10.063 8.274 1.00 71.04 C ATOM 1325 O ALA A 448 7.480 10.286 8.965 1.00 21.32 O ATOM 1326 CB ALA A 448 7.313 8.583 6.701 1.00 74.05 C ATOM 0 H ALA A 448 9.856 8.180 6.630 1.00 3.43 H new ATOM 0 HA ALA A 448 8.083 10.502 6.229 1.00 44.42 H new ATOM 0 HB1 ALA A 448 6.359 8.971 7.058 1.00 74.05 H new ATOM 0 HB2 ALA A 448 7.219 8.295 5.654 1.00 74.05 H new ATOM 0 HB3 ALA A 448 7.594 7.712 7.293 1.00 74.05 H new ATOM 1332 N CYS A 449 9.686 10.169 8.724 1.00 65.11 N ATOM 1333 CA CYS A 449 9.936 10.563 10.064 1.00 43.11 C ATOM 1334 C CYS A 449 10.382 12.014 10.077 1.00 60.15 C ATOM 1335 O CYS A 449 11.393 12.374 9.462 1.00 1.05 O ATOM 1336 CB CYS A 449 11.019 9.676 10.648 1.00 11.43 C ATOM 1337 SG CYS A 449 11.129 9.732 12.448 1.00 50.32 S ATOM 0 H CYS A 449 10.523 9.984 8.171 1.00 65.11 H new ATOM 0 HA CYS A 449 9.031 10.461 10.663 1.00 43.11 H new ATOM 0 HB2 CYS A 449 10.837 8.647 10.338 1.00 11.43 H new ATOM 0 HB3 CYS A 449 11.980 9.970 10.227 1.00 11.43 H new ATOM 1342 N SER A 450 9.623 12.839 10.755 1.00 45.51 N ATOM 1343 CA SER A 450 9.876 14.256 10.869 1.00 31.41 C ATOM 1344 C SER A 450 9.112 14.796 12.064 1.00 10.45 C ATOM 1345 O SER A 450 9.711 14.903 13.146 1.00 38.41 O ATOM 1346 CB SER A 450 9.488 15.010 9.581 1.00 50.20 C ATOM 1347 OG SER A 450 10.284 14.587 8.478 1.00 21.11 O ATOM 1348 OXT SER A 450 7.897 15.078 11.939 1.00 38.41 O ATOM 0 H SER A 450 8.789 12.536 11.257 1.00 45.51 H new ATOM 0 HA SER A 450 10.945 14.413 11.015 1.00 31.41 H new ATOM 0 HB2 SER A 450 8.435 14.839 9.360 1.00 50.20 H new ATOM 0 HB3 SER A 450 9.612 16.082 9.733 1.00 50.20 H new ATOM 0 HG SER A 450 9.829 14.814 7.640 1.00 21.11 H new TER 1354 SER A 450