USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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 539 TYR OH : rot 157:sc= 0.382 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0.351 USER MOD Set 2.1: A 517 SER OG : rot 180:sc= -0.0114 USER MOD Set 2.2: A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 23:sc= 0.532 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -135:sc= -3.81! (180deg=-4.55!) USER MOD Single : A 524 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00764) USER MOD Single : A 528 THR OG1 : rot -148:sc= -2.68! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.93! K(o=-2.9!,f=-0.24) USER MOD Single : A 540 LYS NZ :NH3+ -172:sc=-0.00447 (180deg=-0.097) USER MOD Single : A 541 THR OG1 : rot 41:sc= 0.263 USER MOD Single : A 545 THR OG1 : rot -38:sc= 0.202 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.15) USER MOD Single : A 564 ASN : amide:sc= -0.154 K(o=-0.15,f=-4.3!) USER MOD Single : A 569 LYS NZ :NH3+ -120:sc= 1.29 (180deg=-0.115) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.4!) USER MOD Single : A 585 LYS NZ :NH3+ 160:sc= 1.55 (180deg=-1.04) USER MOD Single : A 586 THR OG1 : rot 28:sc= 0.923 USER MOD Single : A 639 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 640 THR OG1 : rot 51:sc= 0.0995 USER MOD Single : A 641 LYS NZ :NH3+ -115:sc= 0.436 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.399 -13.255 -3.638 1.00 15.44 N ATOM 29 CA GLY A 503 -4.268 -12.258 -2.671 1.00 22.41 C ATOM 30 C GLY A 503 -4.542 -10.940 -3.239 1.00 2.13 C ATOM 31 O GLY A 503 -3.922 -10.549 -4.206 1.00 73.03 O ATOM 0 HA2 GLY A 503 -4.954 -12.453 -1.847 1.00 22.41 H new ATOM 0 HA3 GLY A 503 -3.260 -12.277 -2.257 1.00 22.41 H new ATOM 35 N ILE A 504 -5.512 -10.298 -2.691 1.00 72.41 N ATOM 36 CA ILE A 504 -5.864 -8.968 -3.063 1.00 30.44 C ATOM 37 C ILE A 504 -5.383 -8.064 -1.954 1.00 70.22 C ATOM 38 O ILE A 504 -5.973 -8.031 -0.878 1.00 13.23 O ATOM 39 CB ILE A 504 -7.413 -8.780 -3.264 1.00 41.43 C ATOM 40 CG1 ILE A 504 -7.968 -9.573 -4.480 1.00 31.11 C ATOM 41 CG2 ILE A 504 -7.775 -7.302 -3.397 1.00 34.24 C ATOM 42 CD1 ILE A 504 -8.010 -11.082 -4.322 1.00 54.00 C ATOM 0 H ILE A 504 -6.098 -10.689 -1.954 1.00 72.41 H new ATOM 0 HA ILE A 504 -5.402 -8.731 -4.021 1.00 30.44 H new ATOM 0 HB ILE A 504 -7.884 -9.188 -2.369 1.00 41.43 H new ATOM 0 HG12 ILE A 504 -8.978 -9.220 -4.689 1.00 31.11 H new ATOM 0 HG13 ILE A 504 -7.360 -9.335 -5.353 1.00 31.11 H new ATOM 0 HG21 ILE A 504 -8.852 -7.202 -3.535 1.00 34.24 H new ATOM 0 HG22 ILE A 504 -7.474 -6.771 -2.494 1.00 34.24 H new ATOM 0 HG23 ILE A 504 -7.258 -6.877 -4.257 1.00 34.24 H new ATOM 0 HD11 ILE A 504 -8.414 -11.532 -5.229 1.00 54.00 H new ATOM 0 HD12 ILE A 504 -7.002 -11.458 -4.149 1.00 54.00 H new ATOM 0 HD13 ILE A 504 -8.645 -11.342 -3.475 1.00 54.00 H new ATOM 54 N PHE A 505 -4.273 -7.425 -2.172 1.00 72.23 N ATOM 55 CA PHE A 505 -3.721 -6.532 -1.187 1.00 25.43 C ATOM 56 C PHE A 505 -3.738 -5.121 -1.722 1.00 21.41 C ATOM 57 O PHE A 505 -3.191 -4.838 -2.791 1.00 41.34 O ATOM 58 CB PHE A 505 -2.307 -6.964 -0.819 1.00 45.34 C ATOM 59 CG PHE A 505 -2.260 -8.345 -0.230 1.00 40.21 C ATOM 60 CD1 PHE A 505 -2.754 -8.578 1.040 1.00 44.41 C ATOM 61 CD2 PHE A 505 -1.756 -9.410 -0.952 1.00 30.23 C ATOM 62 CE1 PHE A 505 -2.739 -9.846 1.582 1.00 53.11 C ATOM 63 CE2 PHE A 505 -1.742 -10.680 -0.413 1.00 52.44 C ATOM 64 CZ PHE A 505 -2.232 -10.897 0.855 1.00 63.31 C ATOM 0 H PHE A 505 -3.725 -7.504 -3.029 1.00 72.23 H new ATOM 0 HA PHE A 505 -4.327 -6.567 -0.282 1.00 25.43 H new ATOM 0 HB2 PHE A 505 -1.678 -6.931 -1.708 1.00 45.34 H new ATOM 0 HB3 PHE A 505 -1.888 -6.254 -0.106 1.00 45.34 H new ATOM 0 HD1 PHE A 505 -3.157 -7.757 1.615 1.00 44.41 H new ATOM 0 HD2 PHE A 505 -1.370 -9.247 -1.947 1.00 30.23 H new ATOM 0 HE1 PHE A 505 -3.125 -10.013 2.577 1.00 53.11 H new ATOM 0 HE2 PHE A 505 -1.346 -11.505 -0.987 1.00 52.44 H new ATOM 0 HZ PHE A 505 -2.218 -11.891 1.278 1.00 63.31 H new ATOM 74 N THR A 506 -4.375 -4.248 -1.010 1.00 71.13 N ATOM 75 CA THR A 506 -4.526 -2.894 -1.434 1.00 43.14 C ATOM 76 C THR A 506 -4.571 -2.007 -0.204 1.00 11.43 C ATOM 77 O THR A 506 -4.742 -2.506 0.919 1.00 31.22 O ATOM 78 CB THR A 506 -5.853 -2.732 -2.275 1.00 23.51 C ATOM 79 OG1 THR A 506 -5.990 -1.399 -2.816 1.00 33.42 O ATOM 80 CG2 THR A 506 -7.096 -3.073 -1.449 1.00 3.32 C ATOM 0 H THR A 506 -4.809 -4.457 -0.111 1.00 71.13 H new ATOM 0 HA THR A 506 -3.686 -2.606 -2.066 1.00 43.14 H new ATOM 0 HB THR A 506 -5.774 -3.439 -3.101 1.00 23.51 H new ATOM 0 HG1 THR A 506 -5.108 -0.975 -2.869 1.00 33.42 H new ATOM 0 HG21 THR A 506 -7.987 -2.949 -2.064 1.00 3.32 H new ATOM 0 HG22 THR A 506 -7.033 -4.106 -1.106 1.00 3.32 H new ATOM 0 HG23 THR A 506 -7.154 -2.408 -0.588 1.00 3.32 H new ATOM 88 N PHE A 507 -4.382 -0.727 -0.397 1.00 24.11 N ATOM 89 CA PHE A 507 -4.554 0.218 0.673 1.00 62.54 C ATOM 90 C PHE A 507 -5.973 0.709 0.612 1.00 14.43 C ATOM 91 O PHE A 507 -6.654 0.514 -0.412 1.00 15.04 O ATOM 92 CB PHE A 507 -3.614 1.420 0.536 1.00 54.13 C ATOM 93 CG PHE A 507 -2.160 1.115 0.685 1.00 42.44 C ATOM 94 CD1 PHE A 507 -1.600 0.971 1.938 1.00 23.11 C ATOM 95 CD2 PHE A 507 -1.354 0.985 -0.423 1.00 44.44 C ATOM 96 CE1 PHE A 507 -0.258 0.700 2.082 1.00 74.50 C ATOM 97 CE2 PHE A 507 -0.013 0.716 -0.291 1.00 15.24 C ATOM 98 CZ PHE A 507 0.536 0.574 0.965 1.00 25.21 C ATOM 0 H PHE A 507 -4.108 -0.315 -1.289 1.00 24.11 H new ATOM 0 HA PHE A 507 -4.326 -0.273 1.619 1.00 62.54 H new ATOM 0 HB2 PHE A 507 -3.774 1.876 -0.441 1.00 54.13 H new ATOM 0 HB3 PHE A 507 -3.891 2.163 1.284 1.00 54.13 H new ATOM 0 HD1 PHE A 507 -2.222 1.072 2.815 1.00 23.11 H new ATOM 0 HD2 PHE A 507 -1.781 1.096 -1.409 1.00 44.44 H new ATOM 0 HE1 PHE A 507 0.170 0.587 3.067 1.00 74.50 H new ATOM 0 HE2 PHE A 507 0.609 0.616 -1.169 1.00 15.24 H new ATOM 0 HZ PHE A 507 1.590 0.364 1.073 1.00 25.21 H new ATOM 108 N GLU A 508 -6.436 1.279 1.679 1.00 64.51 N ATOM 109 CA GLU A 508 -7.730 1.899 1.695 1.00 31.41 C ATOM 110 C GLU A 508 -7.524 3.374 1.460 1.00 22.00 C ATOM 111 O GLU A 508 -8.389 4.080 0.939 1.00 64.33 O ATOM 112 CB GLU A 508 -8.445 1.658 3.024 1.00 71.10 C ATOM 113 CG GLU A 508 -9.813 1.019 2.862 1.00 63.31 C ATOM 114 CD GLU A 508 -10.713 1.822 1.975 1.00 50.42 C ATOM 115 OE1 GLU A 508 -11.334 2.783 2.468 1.00 32.10 O ATOM 116 OE2 GLU A 508 -10.810 1.516 0.766 1.00 3.42 O ATOM 0 H GLU A 508 -5.932 1.330 2.564 1.00 64.51 H new ATOM 0 HA GLU A 508 -8.361 1.469 0.917 1.00 31.41 H new ATOM 0 HB2 GLU A 508 -7.825 1.018 3.652 1.00 71.10 H new ATOM 0 HB3 GLU A 508 -8.555 2.608 3.547 1.00 71.10 H new ATOM 0 HG2 GLU A 508 -9.697 0.018 2.448 1.00 63.31 H new ATOM 0 HG3 GLU A 508 -10.278 0.907 3.842 1.00 63.31 H new ATOM 123 N GLU A 509 -6.358 3.825 1.829 1.00 62.03 N ATOM 124 CA GLU A 509 -5.964 5.172 1.618 1.00 43.33 C ATOM 125 C GLU A 509 -5.137 5.289 0.383 1.00 0.10 C ATOM 126 O GLU A 509 -4.100 4.645 0.265 1.00 65.40 O ATOM 127 CB GLU A 509 -5.121 5.714 2.753 1.00 11.10 C ATOM 128 CG GLU A 509 -5.847 6.124 3.988 1.00 55.52 C ATOM 129 CD GLU A 509 -6.474 4.974 4.746 1.00 2.44 C ATOM 130 OE1 GLU A 509 -5.725 4.211 5.399 1.00 13.41 O ATOM 131 OE2 GLU A 509 -7.716 4.811 4.708 1.00 13.41 O ATOM 0 H GLU A 509 -5.651 3.252 2.290 1.00 62.03 H new ATOM 0 HA GLU A 509 -6.890 5.741 1.540 1.00 43.33 H new ATOM 0 HB2 GLU A 509 -4.388 4.955 3.025 1.00 11.10 H new ATOM 0 HB3 GLU A 509 -4.565 6.576 2.383 1.00 11.10 H new ATOM 0 HG2 GLU A 509 -5.154 6.645 4.648 1.00 55.52 H new ATOM 0 HG3 GLU A 509 -6.627 6.836 3.719 1.00 55.52 H new ATOM 138 N PRO A 510 -5.574 6.079 -0.577 1.00 13.33 N ATOM 139 CA PRO A 510 -4.726 6.432 -1.672 1.00 13.44 C ATOM 140 C PRO A 510 -3.833 7.586 -1.226 1.00 74.20 C ATOM 141 O PRO A 510 -2.777 7.849 -1.802 1.00 12.00 O ATOM 142 CB PRO A 510 -5.689 6.884 -2.782 1.00 13.11 C ATOM 143 CG PRO A 510 -7.063 6.959 -2.169 1.00 21.33 C ATOM 144 CD PRO A 510 -6.935 6.643 -0.702 1.00 1.25 C ATOM 0 HA PRO A 510 -4.084 5.619 -2.012 1.00 13.44 H new ATOM 0 HB2 PRO A 510 -5.391 7.854 -3.180 1.00 13.11 H new ATOM 0 HB3 PRO A 510 -5.676 6.180 -3.614 1.00 13.11 H new ATOM 0 HG2 PRO A 510 -7.489 7.952 -2.309 1.00 21.33 H new ATOM 0 HG3 PRO A 510 -7.736 6.252 -2.654 1.00 21.33 H new ATOM 0 HD2 PRO A 510 -7.055 7.536 -0.089 1.00 1.25 H new ATOM 0 HD3 PRO A 510 -7.694 5.930 -0.379 1.00 1.25 H new ATOM 152 N VAL A 511 -4.278 8.243 -0.164 1.00 11.51 N ATOM 153 CA VAL A 511 -3.664 9.405 0.434 1.00 5.23 C ATOM 154 C VAL A 511 -3.935 9.359 1.931 1.00 44.51 C ATOM 155 O VAL A 511 -5.026 8.977 2.344 1.00 40.01 O ATOM 156 CB VAL A 511 -4.312 10.724 -0.121 1.00 71.24 C ATOM 157 CG1 VAL A 511 -3.768 11.948 0.556 1.00 41.20 C ATOM 158 CG2 VAL A 511 -4.161 10.855 -1.616 1.00 14.14 C ATOM 0 H VAL A 511 -5.126 7.958 0.326 1.00 11.51 H new ATOM 0 HA VAL A 511 -2.598 9.400 0.207 1.00 5.23 H new ATOM 0 HB VAL A 511 -5.375 10.648 0.106 1.00 71.24 H new ATOM 0 HG11 VAL A 511 -4.245 12.836 0.140 1.00 41.20 H new ATOM 0 HG12 VAL A 511 -3.972 11.893 1.625 1.00 41.20 H new ATOM 0 HG13 VAL A 511 -2.692 12.005 0.395 1.00 41.20 H new ATOM 0 HG21 VAL A 511 -4.626 11.783 -1.949 1.00 14.14 H new ATOM 0 HG22 VAL A 511 -3.102 10.866 -1.875 1.00 14.14 H new ATOM 0 HG23 VAL A 511 -4.646 10.011 -2.106 1.00 14.14 H new ATOM 168 N THR A 512 -2.959 9.710 2.715 1.00 55.11 N ATOM 169 CA THR A 512 -3.139 9.845 4.121 1.00 1.11 C ATOM 170 C THR A 512 -2.415 11.127 4.574 1.00 72.21 C ATOM 171 O THR A 512 -1.219 11.318 4.303 1.00 52.51 O ATOM 172 CB THR A 512 -2.667 8.561 4.922 1.00 53.53 C ATOM 173 OG1 THR A 512 -3.061 8.633 6.300 1.00 1.31 O ATOM 174 CG2 THR A 512 -1.164 8.368 4.860 1.00 41.22 C ATOM 0 H THR A 512 -2.013 9.911 2.391 1.00 55.11 H new ATOM 0 HA THR A 512 -4.202 9.931 4.345 1.00 1.11 H new ATOM 0 HB THR A 512 -3.152 7.711 4.442 1.00 53.53 H new ATOM 0 HG1 THR A 512 -2.758 7.828 6.769 1.00 1.31 H new ATOM 0 HG21 THR A 512 -0.888 7.476 5.423 1.00 41.22 H new ATOM 0 HG22 THR A 512 -0.855 8.252 3.821 1.00 41.22 H new ATOM 0 HG23 THR A 512 -0.667 9.237 5.291 1.00 41.22 H new ATOM 182 N HIS A 513 -3.157 12.049 5.127 1.00 10.31 N ATOM 183 CA HIS A 513 -2.563 13.257 5.667 1.00 35.21 C ATOM 184 C HIS A 513 -2.169 13.046 7.095 1.00 30.23 C ATOM 185 O HIS A 513 -2.971 12.557 7.912 1.00 42.21 O ATOM 186 CB HIS A 513 -3.471 14.489 5.518 1.00 2.22 C ATOM 187 CG HIS A 513 -3.459 15.082 4.141 1.00 24.30 C ATOM 188 ND1 HIS A 513 -3.034 16.364 3.862 1.00 35.52 N ATOM 189 CD2 HIS A 513 -3.810 14.540 2.955 1.00 3.14 C ATOM 190 CE1 HIS A 513 -3.131 16.552 2.544 1.00 34.23 C ATOM 191 NE2 HIS A 513 -3.600 15.472 1.942 1.00 73.21 N ATOM 0 H HIS A 513 -4.171 11.993 5.218 1.00 10.31 H new ATOM 0 HA HIS A 513 -1.670 13.466 5.079 1.00 35.21 H new ATOM 0 HB2 HIS A 513 -4.493 14.210 5.775 1.00 2.22 H new ATOM 0 HB3 HIS A 513 -3.158 15.249 6.234 1.00 2.22 H new ATOM 0 HD1 HIS A 513 -2.704 17.048 4.543 1.00 35.52 H new ATOM 0 HD2 HIS A 513 -4.194 13.540 2.814 1.00 3.14 H new ATOM 0 HE1 HIS A 513 -2.862 17.466 2.036 1.00 34.23 H new ATOM 199 N VAL A 514 -0.945 13.368 7.395 1.00 13.15 N ATOM 200 CA VAL A 514 -0.411 13.192 8.715 1.00 24.13 C ATOM 201 C VAL A 514 0.165 14.486 9.204 1.00 0.55 C ATOM 202 O VAL A 514 0.430 15.404 8.424 1.00 75.12 O ATOM 203 CB VAL A 514 0.665 12.057 8.787 1.00 51.25 C ATOM 204 CG1 VAL A 514 0.092 10.722 8.324 1.00 12.11 C ATOM 205 CG2 VAL A 514 1.907 12.413 7.980 1.00 12.33 C ATOM 0 H VAL A 514 -0.284 13.763 6.726 1.00 13.15 H new ATOM 0 HA VAL A 514 -1.234 12.884 9.360 1.00 24.13 H new ATOM 0 HB VAL A 514 0.959 11.958 9.832 1.00 51.25 H new ATOM 0 HG11 VAL A 514 0.863 9.954 8.386 1.00 12.11 H new ATOM 0 HG12 VAL A 514 -0.747 10.445 8.962 1.00 12.11 H new ATOM 0 HG13 VAL A 514 -0.250 10.811 7.293 1.00 12.11 H new ATOM 0 HG21 VAL A 514 2.633 11.603 8.053 1.00 12.33 H new ATOM 0 HG22 VAL A 514 1.632 12.562 6.936 1.00 12.33 H new ATOM 0 HG23 VAL A 514 2.346 13.330 8.374 1.00 12.33 H new ATOM 215 N SER A 515 0.332 14.562 10.478 1.00 24.53 N ATOM 216 CA SER A 515 0.844 15.705 11.110 1.00 73.51 C ATOM 217 C SER A 515 2.371 15.634 11.162 1.00 21.43 C ATOM 218 O SER A 515 2.948 14.597 10.873 1.00 21.22 O ATOM 219 CB SER A 515 0.259 15.702 12.490 1.00 41.43 C ATOM 220 OG SER A 515 -1.167 15.762 12.435 1.00 63.55 O ATOM 0 H SER A 515 0.106 13.802 11.120 1.00 24.53 H new ATOM 0 HA SER A 515 0.586 16.620 10.576 1.00 73.51 H new ATOM 0 HB2 SER A 515 0.570 14.802 13.020 1.00 41.43 H new ATOM 0 HB3 SER A 515 0.642 16.552 13.054 1.00 41.43 H new ATOM 0 HG SER A 515 -1.530 15.757 13.345 1.00 63.55 H new ATOM 226 N GLU A 516 3.019 16.727 11.497 1.00 72.33 N ATOM 227 CA GLU A 516 4.463 16.711 11.634 1.00 1.34 C ATOM 228 C GLU A 516 4.866 16.465 13.101 1.00 11.33 C ATOM 229 O GLU A 516 5.936 15.933 13.393 1.00 21.04 O ATOM 230 CB GLU A 516 5.066 18.017 11.141 1.00 41.12 C ATOM 231 CG GLU A 516 6.573 17.988 11.132 1.00 54.43 C ATOM 232 CD GLU A 516 7.179 19.295 10.772 1.00 43.32 C ATOM 233 OE1 GLU A 516 7.338 20.181 11.643 1.00 4.21 O ATOM 234 OE2 GLU A 516 7.523 19.471 9.609 1.00 62.51 O ATOM 0 H GLU A 516 2.579 17.629 11.678 1.00 72.33 H new ATOM 0 HA GLU A 516 4.850 15.896 11.022 1.00 1.34 H new ATOM 0 HB2 GLU A 516 4.703 18.224 10.134 1.00 41.12 H new ATOM 0 HB3 GLU A 516 4.725 18.834 11.777 1.00 41.12 H new ATOM 0 HG2 GLU A 516 6.930 17.688 12.117 1.00 54.43 H new ATOM 0 HG3 GLU A 516 6.912 17.230 10.425 1.00 54.43 H new ATOM 241 N SER A 517 3.968 16.788 14.015 1.00 64.22 N ATOM 242 CA SER A 517 4.236 16.674 15.452 1.00 73.21 C ATOM 243 C SER A 517 3.945 15.252 15.938 1.00 41.12 C ATOM 244 O SER A 517 3.785 14.992 17.128 1.00 11.02 O ATOM 245 CB SER A 517 3.351 17.673 16.184 1.00 2.40 C ATOM 246 OG SER A 517 3.478 18.956 15.594 1.00 64.10 O ATOM 0 H SER A 517 3.035 17.136 13.792 1.00 64.22 H new ATOM 0 HA SER A 517 5.286 16.888 15.652 1.00 73.21 H new ATOM 0 HB2 SER A 517 2.312 17.347 16.145 1.00 2.40 H new ATOM 0 HB3 SER A 517 3.632 17.718 17.236 1.00 2.40 H new ATOM 0 HG SER A 517 2.904 19.593 16.069 1.00 64.10 H new ATOM 252 N ILE A 518 3.942 14.346 15.016 1.00 62.15 N ATOM 253 CA ILE A 518 3.623 12.990 15.272 1.00 31.42 C ATOM 254 C ILE A 518 4.914 12.187 15.170 1.00 21.11 C ATOM 255 O ILE A 518 5.876 12.643 14.537 1.00 1.21 O ATOM 256 CB ILE A 518 2.578 12.514 14.234 1.00 74.52 C ATOM 257 CG1 ILE A 518 1.898 11.236 14.672 1.00 2.45 C ATOM 258 CG2 ILE A 518 3.196 12.338 12.854 1.00 34.44 C ATOM 259 CD1 ILE A 518 0.774 10.874 13.760 1.00 53.31 C ATOM 0 H ILE A 518 4.168 14.539 14.040 1.00 62.15 H new ATOM 0 HA ILE A 518 3.193 12.857 16.265 1.00 31.42 H new ATOM 0 HB ILE A 518 1.822 13.296 14.170 1.00 74.52 H new ATOM 0 HG12 ILE A 518 2.626 10.425 14.694 1.00 2.45 H new ATOM 0 HG13 ILE A 518 1.520 11.353 15.688 1.00 2.45 H new ATOM 0 HG21 ILE A 518 2.431 12.003 12.153 1.00 34.44 H new ATOM 0 HG22 ILE A 518 3.607 13.289 12.515 1.00 34.44 H new ATOM 0 HG23 ILE A 518 3.993 11.596 12.904 1.00 34.44 H new ATOM 0 HD11 ILE A 518 0.308 9.951 14.105 1.00 53.31 H new ATOM 0 HD12 ILE A 518 0.034 11.675 13.758 1.00 53.31 H new ATOM 0 HD13 ILE A 518 1.157 10.732 12.749 1.00 53.31 H new ATOM 271 N GLY A 519 4.966 11.065 15.810 1.00 24.02 N ATOM 272 CA GLY A 519 6.144 10.254 15.746 1.00 65.21 C ATOM 273 C GLY A 519 6.010 9.181 14.710 1.00 33.41 C ATOM 274 O GLY A 519 6.768 9.131 13.744 1.00 60.45 O ATOM 0 H GLY A 519 4.211 10.687 16.382 1.00 24.02 H new ATOM 0 HA2 GLY A 519 7.007 10.879 15.516 1.00 65.21 H new ATOM 0 HA3 GLY A 519 6.330 9.801 16.720 1.00 65.21 H new ATOM 278 N ILE A 520 5.024 8.347 14.890 1.00 34.12 N ATOM 279 CA ILE A 520 4.776 7.233 14.008 1.00 21.53 C ATOM 280 C ILE A 520 3.386 7.350 13.431 1.00 52.42 C ATOM 281 O ILE A 520 2.448 7.720 14.140 1.00 2.41 O ATOM 282 CB ILE A 520 4.901 5.868 14.770 1.00 45.33 C ATOM 283 CG1 ILE A 520 6.314 5.667 15.334 1.00 75.52 C ATOM 284 CG2 ILE A 520 4.543 4.695 13.866 1.00 73.01 C ATOM 285 CD1 ILE A 520 7.387 5.554 14.272 1.00 62.24 C ATOM 0 H ILE A 520 4.360 8.420 15.661 1.00 34.12 H new ATOM 0 HA ILE A 520 5.521 7.256 13.212 1.00 21.53 H new ATOM 0 HB ILE A 520 4.195 5.904 15.599 1.00 45.33 H new ATOM 0 HG12 ILE A 520 6.554 6.502 15.992 1.00 75.52 H new ATOM 0 HG13 ILE A 520 6.326 4.765 15.946 1.00 75.52 H new ATOM 0 HG21 ILE A 520 4.640 3.763 14.423 1.00 73.01 H new ATOM 0 HG22 ILE A 520 3.516 4.805 13.517 1.00 73.01 H new ATOM 0 HG23 ILE A 520 5.217 4.677 13.010 1.00 73.01 H new ATOM 0 HD11 ILE A 520 8.357 5.414 14.749 1.00 62.24 H new ATOM 0 HD12 ILE A 520 7.173 4.702 13.627 1.00 62.24 H new ATOM 0 HD13 ILE A 520 7.405 6.465 13.674 1.00 62.24 H new ATOM 297 N MET A 521 3.269 7.108 12.161 1.00 33.15 N ATOM 298 CA MET A 521 1.980 7.016 11.536 1.00 23.42 C ATOM 299 C MET A 521 1.843 5.600 11.055 1.00 5.03 C ATOM 300 O MET A 521 2.811 5.027 10.517 1.00 13.22 O ATOM 301 CB MET A 521 1.786 8.081 10.401 1.00 21.35 C ATOM 302 CG MET A 521 2.636 7.927 9.127 1.00 72.12 C ATOM 303 SD MET A 521 1.943 6.733 7.951 1.00 71.22 S ATOM 304 CE MET A 521 3.089 6.877 6.581 1.00 44.54 C ATOM 0 H MET A 521 4.058 6.969 11.530 1.00 33.15 H new ATOM 0 HA MET A 521 1.185 7.249 12.244 1.00 23.42 H new ATOM 0 HB2 MET A 521 0.736 8.072 10.108 1.00 21.35 H new ATOM 0 HB3 MET A 521 1.990 9.064 10.824 1.00 21.35 H new ATOM 0 HG2 MET A 521 2.728 8.897 8.639 1.00 72.12 H new ATOM 0 HG3 MET A 521 3.642 7.613 9.404 1.00 72.12 H new ATOM 0 HE1 MET A 521 2.533 6.930 5.645 1.00 44.54 H new ATOM 0 HE2 MET A 521 3.687 7.781 6.700 1.00 44.54 H new ATOM 0 HE3 MET A 521 3.746 6.007 6.563 1.00 44.54 H new ATOM 314 N GLU A 522 0.722 4.996 11.336 1.00 61.34 N ATOM 315 CA GLU A 522 0.512 3.639 10.945 1.00 5.11 C ATOM 316 C GLU A 522 -0.505 3.578 9.830 1.00 43.02 C ATOM 317 O GLU A 522 -1.389 4.439 9.729 1.00 23.13 O ATOM 318 CB GLU A 522 0.057 2.742 12.107 1.00 14.51 C ATOM 319 CG GLU A 522 0.946 2.734 13.353 1.00 65.32 C ATOM 320 CD GLU A 522 0.636 3.843 14.344 1.00 43.22 C ATOM 321 OE1 GLU A 522 -0.558 4.067 14.663 1.00 33.33 O ATOM 322 OE2 GLU A 522 1.568 4.431 14.895 1.00 5.13 O ATOM 0 H GLU A 522 -0.057 5.426 11.834 1.00 61.34 H new ATOM 0 HA GLU A 522 1.474 3.257 10.604 1.00 5.11 H new ATOM 0 HB2 GLU A 522 -0.945 3.052 12.405 1.00 14.51 H new ATOM 0 HB3 GLU A 522 -0.022 1.719 11.738 1.00 14.51 H new ATOM 0 HG2 GLU A 522 0.840 1.773 13.855 1.00 65.32 H new ATOM 0 HG3 GLU A 522 1.988 2.819 13.043 1.00 65.32 H new ATOM 329 N VAL A 523 -0.371 2.605 8.977 1.00 3.45 N ATOM 330 CA VAL A 523 -1.297 2.422 7.880 1.00 21.02 C ATOM 331 C VAL A 523 -1.845 1.011 7.904 1.00 53.11 C ATOM 332 O VAL A 523 -1.079 0.050 7.845 1.00 63.32 O ATOM 333 CB VAL A 523 -0.614 2.672 6.517 1.00 34.12 C ATOM 334 CG1 VAL A 523 -1.628 2.596 5.374 1.00 62.12 C ATOM 335 CG2 VAL A 523 0.093 4.007 6.516 1.00 63.15 C ATOM 0 H VAL A 523 0.378 1.914 9.015 1.00 3.45 H new ATOM 0 HA VAL A 523 -2.104 3.144 8.002 1.00 21.02 H new ATOM 0 HB VAL A 523 0.128 1.889 6.360 1.00 34.12 H new ATOM 0 HG11 VAL A 523 -1.121 2.776 4.426 1.00 62.12 H new ATOM 0 HG12 VAL A 523 -2.086 1.607 5.359 1.00 62.12 H new ATOM 0 HG13 VAL A 523 -2.400 3.351 5.522 1.00 62.12 H new ATOM 0 HG21 VAL A 523 0.568 4.166 5.548 1.00 63.15 H new ATOM 0 HG22 VAL A 523 -0.630 4.802 6.700 1.00 63.15 H new ATOM 0 HG23 VAL A 523 0.851 4.018 7.299 1.00 63.15 H new ATOM 345 N LYS A 524 -3.149 0.907 8.011 1.00 72.23 N ATOM 346 CA LYS A 524 -3.853 -0.356 8.018 1.00 75.14 C ATOM 347 C LYS A 524 -4.060 -0.853 6.606 1.00 31.41 C ATOM 348 O LYS A 524 -4.712 -0.198 5.778 1.00 44.40 O ATOM 349 CB LYS A 524 -5.192 -0.211 8.729 1.00 40.40 C ATOM 350 CG LYS A 524 -5.081 -0.047 10.234 1.00 64.34 C ATOM 351 CD LYS A 524 -4.835 -1.387 10.891 1.00 41.51 C ATOM 352 CE LYS A 524 -4.609 -1.305 12.387 1.00 55.03 C ATOM 353 NZ LYS A 524 -5.738 -0.699 13.112 1.00 31.23 N ATOM 0 H LYS A 524 -3.765 1.716 8.098 1.00 72.23 H new ATOM 0 HA LYS A 524 -3.249 -1.086 8.557 1.00 75.14 H new ATOM 0 HB2 LYS A 524 -5.718 0.651 8.318 1.00 40.40 H new ATOM 0 HB3 LYS A 524 -5.802 -1.088 8.514 1.00 40.40 H new ATOM 0 HG2 LYS A 524 -4.267 0.638 10.473 1.00 64.34 H new ATOM 0 HG3 LYS A 524 -5.996 0.396 10.627 1.00 64.34 H new ATOM 0 HD2 LYS A 524 -5.688 -2.038 10.697 1.00 41.51 H new ATOM 0 HD3 LYS A 524 -3.966 -1.854 10.427 1.00 41.51 H new ATOM 0 HE2 LYS A 524 -4.432 -2.307 12.777 1.00 55.03 H new ATOM 0 HE3 LYS A 524 -3.707 -0.724 12.580 1.00 55.03 H new ATOM 0 HZ1 LYS A 524 -5.537 -0.702 14.132 1.00 31.23 H new ATOM 0 HZ2 LYS A 524 -5.873 0.280 12.789 1.00 31.23 H new ATOM 0 HZ3 LYS A 524 -6.603 -1.246 12.928 1.00 31.23 H new ATOM 367 N VAL A 525 -3.503 -1.987 6.350 1.00 31.45 N ATOM 368 CA VAL A 525 -3.555 -2.622 5.041 1.00 24.32 C ATOM 369 C VAL A 525 -4.639 -3.670 5.047 1.00 35.25 C ATOM 370 O VAL A 525 -4.778 -4.406 6.029 1.00 61.40 O ATOM 371 CB VAL A 525 -2.210 -3.312 4.702 1.00 11.33 C ATOM 372 CG1 VAL A 525 -2.178 -3.816 3.261 1.00 63.21 C ATOM 373 CG2 VAL A 525 -1.060 -2.387 4.971 1.00 2.33 C ATOM 0 H VAL A 525 -2.985 -2.524 7.045 1.00 31.45 H new ATOM 0 HA VAL A 525 -3.757 -1.854 4.295 1.00 24.32 H new ATOM 0 HB VAL A 525 -2.114 -4.183 5.351 1.00 11.33 H new ATOM 0 HG11 VAL A 525 -1.218 -4.293 3.064 1.00 63.21 H new ATOM 0 HG12 VAL A 525 -2.980 -4.538 3.110 1.00 63.21 H new ATOM 0 HG13 VAL A 525 -2.313 -2.977 2.579 1.00 63.21 H new ATOM 0 HG21 VAL A 525 -0.124 -2.890 4.727 1.00 2.33 H new ATOM 0 HG22 VAL A 525 -1.162 -1.492 4.358 1.00 2.33 H new ATOM 0 HG23 VAL A 525 -1.057 -2.107 6.024 1.00 2.33 H new ATOM 383 N LEU A 526 -5.381 -3.749 3.970 1.00 71.45 N ATOM 384 CA LEU A 526 -6.459 -4.698 3.863 1.00 12.03 C ATOM 385 C LEU A 526 -5.904 -6.055 3.521 1.00 41.11 C ATOM 386 O LEU A 526 -4.896 -6.174 2.812 1.00 74.33 O ATOM 387 CB LEU A 526 -7.517 -4.281 2.813 1.00 51.31 C ATOM 388 CG LEU A 526 -8.262 -2.948 3.030 1.00 53.15 C ATOM 389 CD1 LEU A 526 -8.868 -2.849 4.422 1.00 53.44 C ATOM 390 CD2 LEU A 526 -7.376 -1.763 2.741 1.00 61.02 C ATOM 0 H LEU A 526 -5.255 -3.160 3.147 1.00 71.45 H new ATOM 0 HA LEU A 526 -6.963 -4.729 4.829 1.00 12.03 H new ATOM 0 HB2 LEU A 526 -7.024 -4.235 1.842 1.00 51.31 H new ATOM 0 HB3 LEU A 526 -8.262 -5.075 2.755 1.00 51.31 H new ATOM 0 HG LEU A 526 -9.086 -2.932 2.316 1.00 53.15 H new ATOM 0 HD11 LEU A 526 -9.382 -1.894 4.528 1.00 53.44 H new ATOM 0 HD12 LEU A 526 -9.579 -3.662 4.568 1.00 53.44 H new ATOM 0 HD13 LEU A 526 -8.077 -2.920 5.169 1.00 53.44 H new ATOM 0 HD21 LEU A 526 -7.935 -0.842 2.905 1.00 61.02 H new ATOM 0 HD22 LEU A 526 -6.511 -1.785 3.404 1.00 61.02 H new ATOM 0 HD23 LEU A 526 -7.040 -1.804 1.705 1.00 61.02 H new ATOM 402 N ARG A 527 -6.543 -7.053 4.027 1.00 62.14 N ATOM 403 CA ARG A 527 -6.142 -8.412 3.822 1.00 10.44 C ATOM 404 C ARG A 527 -6.786 -8.912 2.551 1.00 12.43 C ATOM 405 O ARG A 527 -7.776 -8.341 2.081 1.00 42.50 O ATOM 406 CB ARG A 527 -6.643 -9.248 4.997 1.00 61.43 C ATOM 407 CG ARG A 527 -6.225 -10.705 5.021 1.00 0.23 C ATOM 408 CD ARG A 527 -7.160 -11.499 5.911 1.00 40.13 C ATOM 409 NE ARG A 527 -8.509 -11.628 5.303 1.00 71.45 N ATOM 410 CZ ARG A 527 -9.669 -11.216 5.854 1.00 35.43 C ATOM 411 NH1 ARG A 527 -9.666 -10.395 6.904 1.00 4.25 N ATOM 412 NH2 ARG A 527 -10.825 -11.563 5.300 1.00 71.11 N ATOM 0 H ARG A 527 -7.376 -6.951 4.607 1.00 62.14 H new ATOM 0 HA ARG A 527 -5.057 -8.486 3.747 1.00 10.44 H new ATOM 0 HB2 ARG A 527 -6.299 -8.780 5.919 1.00 61.43 H new ATOM 0 HB3 ARG A 527 -7.732 -9.206 5.005 1.00 61.43 H new ATOM 0 HG2 ARG A 527 -6.239 -11.112 4.010 1.00 0.23 H new ATOM 0 HG3 ARG A 527 -5.202 -10.792 5.386 1.00 0.23 H new ATOM 0 HD2 ARG A 527 -6.742 -12.490 6.087 1.00 40.13 H new ATOM 0 HD3 ARG A 527 -7.242 -11.011 6.882 1.00 40.13 H new ATOM 0 HE ARG A 527 -8.563 -12.069 4.385 1.00 71.45 H new ATOM 0 HH11 ARG A 527 -8.782 -10.073 7.297 1.00 4.25 H new ATOM 0 HH12 ARG A 527 -10.548 -10.089 7.314 1.00 4.25 H new ATOM 0 HH21 ARG A 527 -10.835 -12.140 4.459 1.00 71.11 H new ATOM 0 HH22 ARG A 527 -11.703 -11.252 5.715 1.00 71.11 H new ATOM 426 N THR A 528 -6.231 -9.959 2.005 1.00 21.44 N ATOM 427 CA THR A 528 -6.794 -10.600 0.869 1.00 62.02 C ATOM 428 C THR A 528 -8.187 -11.147 1.191 1.00 34.35 C ATOM 429 O THR A 528 -8.493 -11.499 2.342 1.00 52.13 O ATOM 430 CB THR A 528 -5.878 -11.737 0.342 1.00 23.25 C ATOM 431 OG1 THR A 528 -6.526 -12.439 -0.734 1.00 4.03 O ATOM 432 CG2 THR A 528 -5.497 -12.714 1.447 1.00 30.31 C ATOM 0 H THR A 528 -5.370 -10.387 2.345 1.00 21.44 H new ATOM 0 HA THR A 528 -6.884 -9.851 0.082 1.00 62.02 H new ATOM 0 HB THR A 528 -4.961 -11.277 -0.026 1.00 23.25 H new ATOM 0 HG1 THR A 528 -6.249 -13.379 -0.725 1.00 4.03 H new ATOM 0 HG21 THR A 528 -4.856 -13.495 1.037 1.00 30.31 H new ATOM 0 HG22 THR A 528 -4.963 -12.182 2.235 1.00 30.31 H new ATOM 0 HG23 THR A 528 -6.399 -13.165 1.861 1.00 30.31 H new ATOM 440 N SER A 529 -9.002 -11.200 0.176 1.00 74.25 N ATOM 441 CA SER A 529 -10.339 -11.696 0.259 1.00 61.12 C ATOM 442 C SER A 529 -10.316 -13.223 0.480 1.00 53.42 C ATOM 443 O SER A 529 -11.272 -13.805 1.000 1.00 33.54 O ATOM 444 CB SER A 529 -11.052 -11.319 -1.040 1.00 0.14 C ATOM 445 OG SER A 529 -12.403 -11.735 -1.071 1.00 12.40 O ATOM 0 H SER A 529 -8.742 -10.888 -0.760 1.00 74.25 H new ATOM 0 HA SER A 529 -10.874 -11.259 1.103 1.00 61.12 H new ATOM 0 HB2 SER A 529 -11.008 -10.238 -1.171 1.00 0.14 H new ATOM 0 HB3 SER A 529 -10.521 -11.764 -1.881 1.00 0.14 H new ATOM 0 HG SER A 529 -12.808 -11.467 -1.922 1.00 12.40 H new ATOM 451 N GLY A 530 -9.218 -13.846 0.111 1.00 64.23 N ATOM 452 CA GLY A 530 -9.052 -15.259 0.301 1.00 65.12 C ATOM 453 C GLY A 530 -7.748 -15.532 0.992 1.00 31.33 C ATOM 454 O GLY A 530 -6.714 -15.687 0.343 1.00 4.32 O ATOM 0 H GLY A 530 -8.421 -13.384 -0.327 1.00 64.23 H new ATOM 0 HA2 GLY A 530 -9.877 -15.654 0.893 1.00 65.12 H new ATOM 0 HA3 GLY A 530 -9.077 -15.770 -0.662 1.00 65.12 H new ATOM 458 N ALA A 531 -7.776 -15.555 2.295 1.00 13.31 N ATOM 459 CA ALA A 531 -6.578 -15.738 3.071 1.00 43.42 C ATOM 460 C ALA A 531 -6.273 -17.209 3.274 1.00 63.12 C ATOM 461 O ALA A 531 -6.716 -17.827 4.239 1.00 64.34 O ATOM 462 CB ALA A 531 -6.667 -14.997 4.398 1.00 43.15 C ATOM 0 H ALA A 531 -8.626 -15.448 2.849 1.00 13.31 H new ATOM 0 HA ALA A 531 -5.748 -15.309 2.510 1.00 43.42 H new ATOM 0 HB1 ALA A 531 -5.749 -15.153 4.964 1.00 43.15 H new ATOM 0 HB2 ALA A 531 -6.802 -13.932 4.211 1.00 43.15 H new ATOM 0 HB3 ALA A 531 -7.514 -15.376 4.970 1.00 43.15 H new ATOM 468 N ARG A 532 -5.586 -17.784 2.315 1.00 1.51 N ATOM 469 CA ARG A 532 -5.177 -19.168 2.379 1.00 15.21 C ATOM 470 C ARG A 532 -3.681 -19.291 2.232 1.00 41.14 C ATOM 471 O ARG A 532 -3.137 -19.174 1.129 1.00 41.54 O ATOM 472 CB ARG A 532 -5.906 -20.025 1.330 1.00 75.15 C ATOM 473 CG ARG A 532 -7.403 -20.138 1.565 1.00 43.50 C ATOM 474 CD ARG A 532 -7.662 -20.691 2.946 1.00 60.32 C ATOM 475 NE ARG A 532 -9.073 -20.894 3.245 1.00 74.14 N ATOM 476 CZ ARG A 532 -9.521 -21.326 4.433 1.00 5.41 C ATOM 477 NH1 ARG A 532 -8.654 -21.560 5.434 1.00 61.02 N ATOM 478 NH2 ARG A 532 -10.820 -21.510 4.623 1.00 53.54 N ATOM 0 H ARG A 532 -5.294 -17.303 1.464 1.00 1.51 H new ATOM 0 HA ARG A 532 -5.457 -19.549 3.361 1.00 15.21 H new ATOM 0 HB2 ARG A 532 -5.734 -19.598 0.342 1.00 75.15 H new ATOM 0 HB3 ARG A 532 -5.472 -21.025 1.325 1.00 75.15 H new ATOM 0 HG2 ARG A 532 -7.872 -19.160 1.461 1.00 43.50 H new ATOM 0 HG3 ARG A 532 -7.851 -20.788 0.813 1.00 43.50 H new ATOM 0 HD2 ARG A 532 -7.138 -21.641 3.050 1.00 60.32 H new ATOM 0 HD3 ARG A 532 -7.238 -20.011 3.685 1.00 60.32 H new ATOM 0 HE ARG A 532 -9.756 -20.697 2.513 1.00 74.14 H new ATOM 0 HH11 ARG A 532 -7.656 -21.409 5.290 1.00 61.02 H new ATOM 0 HH12 ARG A 532 -8.995 -21.889 6.338 1.00 61.02 H new ATOM 0 HH21 ARG A 532 -11.478 -21.323 3.866 1.00 53.54 H new ATOM 0 HH22 ARG A 532 -11.162 -21.839 5.526 1.00 53.54 H new ATOM 492 N GLY A 533 -3.021 -19.488 3.344 1.00 44.13 N ATOM 493 CA GLY A 533 -1.603 -19.633 3.344 1.00 14.11 C ATOM 494 C GLY A 533 -0.954 -18.557 4.160 1.00 21.13 C ATOM 495 O GLY A 533 -1.524 -18.083 5.136 1.00 71.23 O ATOM 0 H GLY A 533 -3.455 -19.551 4.265 1.00 44.13 H new ATOM 0 HA2 GLY A 533 -1.334 -20.610 3.744 1.00 14.11 H new ATOM 0 HA3 GLY A 533 -1.230 -19.594 2.321 1.00 14.11 H new ATOM 499 N ASN A 534 0.220 -18.183 3.772 1.00 0.41 N ATOM 500 CA ASN A 534 0.982 -17.146 4.422 1.00 25.24 C ATOM 501 C ASN A 534 1.607 -16.318 3.313 1.00 2.34 C ATOM 502 O ASN A 534 2.136 -16.887 2.364 1.00 22.52 O ATOM 503 CB ASN A 534 2.059 -17.792 5.318 1.00 12.51 C ATOM 504 CG ASN A 534 2.928 -16.803 6.075 1.00 2.52 C ATOM 505 OD1 ASN A 534 4.098 -17.059 6.322 1.00 12.13 O ATOM 506 ND2 ASN A 534 2.371 -15.700 6.482 1.00 4.42 N ATOM 0 H ASN A 534 0.698 -18.597 2.971 1.00 0.41 H new ATOM 0 HA ASN A 534 0.364 -16.515 5.061 1.00 25.24 H new ATOM 0 HB2 ASN A 534 1.569 -18.449 6.036 1.00 12.51 H new ATOM 0 HB3 ASN A 534 2.700 -18.419 4.698 1.00 12.51 H new ATOM 0 HD21 ASN A 534 2.912 -15.024 7.021 1.00 4.42 H new ATOM 0 HD22 ASN A 534 1.393 -15.511 6.262 1.00 4.42 H new ATOM 513 N VAL A 535 1.498 -15.011 3.378 1.00 42.33 N ATOM 514 CA VAL A 535 1.977 -14.156 2.298 1.00 33.42 C ATOM 515 C VAL A 535 2.911 -13.076 2.818 1.00 11.13 C ATOM 516 O VAL A 535 2.660 -12.476 3.863 1.00 62.10 O ATOM 517 CB VAL A 535 0.789 -13.477 1.526 1.00 15.41 C ATOM 518 CG1 VAL A 535 1.292 -12.574 0.404 1.00 44.25 C ATOM 519 CG2 VAL A 535 -0.135 -14.523 0.949 1.00 22.14 C ATOM 0 H VAL A 535 1.083 -14.510 4.164 1.00 42.33 H new ATOM 0 HA VAL A 535 2.523 -14.803 1.611 1.00 33.42 H new ATOM 0 HB VAL A 535 0.245 -12.865 2.245 1.00 15.41 H new ATOM 0 HG11 VAL A 535 0.442 -12.122 -0.108 1.00 44.25 H new ATOM 0 HG12 VAL A 535 1.923 -11.790 0.823 1.00 44.25 H new ATOM 0 HG13 VAL A 535 1.871 -13.164 -0.306 1.00 44.25 H new ATOM 0 HG21 VAL A 535 -0.952 -14.034 0.418 1.00 22.14 H new ATOM 0 HG22 VAL A 535 0.420 -15.157 0.257 1.00 22.14 H new ATOM 0 HG23 VAL A 535 -0.541 -15.134 1.755 1.00 22.14 H new ATOM 529 N ILE A 536 3.977 -12.855 2.091 1.00 21.15 N ATOM 530 CA ILE A 536 4.903 -11.792 2.373 1.00 75.15 C ATOM 531 C ILE A 536 4.660 -10.660 1.400 1.00 24.31 C ATOM 532 O ILE A 536 4.625 -10.874 0.181 1.00 73.52 O ATOM 533 CB ILE A 536 6.383 -12.263 2.271 1.00 35.03 C ATOM 534 CG1 ILE A 536 6.731 -13.221 3.408 1.00 35.43 C ATOM 535 CG2 ILE A 536 7.345 -11.081 2.247 1.00 64.54 C ATOM 536 CD1 ILE A 536 6.614 -12.602 4.781 1.00 20.23 C ATOM 0 H ILE A 536 4.228 -13.416 1.277 1.00 21.15 H new ATOM 0 HA ILE A 536 4.738 -11.460 3.398 1.00 75.15 H new ATOM 0 HB ILE A 536 6.492 -12.798 1.328 1.00 35.03 H new ATOM 0 HG12 ILE A 536 6.074 -14.089 3.353 1.00 35.43 H new ATOM 0 HG13 ILE A 536 7.750 -13.582 3.268 1.00 35.43 H new ATOM 0 HG21 ILE A 536 8.369 -11.447 2.175 1.00 64.54 H new ATOM 0 HG22 ILE A 536 7.124 -10.450 1.386 1.00 64.54 H new ATOM 0 HG23 ILE A 536 7.231 -10.500 3.162 1.00 64.54 H new ATOM 0 HD11 ILE A 536 6.876 -13.342 5.537 1.00 20.23 H new ATOM 0 HD12 ILE A 536 7.291 -11.751 4.855 1.00 20.23 H new ATOM 0 HD13 ILE A 536 5.590 -12.266 4.942 1.00 20.23 H new ATOM 548 N VAL A 537 4.453 -9.492 1.927 1.00 75.15 N ATOM 549 CA VAL A 537 4.242 -8.317 1.131 1.00 60.33 C ATOM 550 C VAL A 537 5.382 -7.328 1.409 1.00 33.34 C ATOM 551 O VAL A 537 5.466 -6.769 2.505 1.00 22.13 O ATOM 552 CB VAL A 537 2.881 -7.637 1.458 1.00 11.32 C ATOM 553 CG1 VAL A 537 2.610 -6.487 0.507 1.00 4.41 C ATOM 554 CG2 VAL A 537 1.731 -8.642 1.427 1.00 61.44 C ATOM 0 H VAL A 537 4.425 -9.324 2.933 1.00 75.15 H new ATOM 0 HA VAL A 537 4.225 -8.608 0.081 1.00 60.33 H new ATOM 0 HB VAL A 537 2.948 -7.239 2.471 1.00 11.32 H new ATOM 0 HG11 VAL A 537 1.653 -6.027 0.755 1.00 4.41 H new ATOM 0 HG12 VAL A 537 3.403 -5.745 0.598 1.00 4.41 H new ATOM 0 HG13 VAL A 537 2.578 -6.861 -0.516 1.00 4.41 H new ATOM 0 HG21 VAL A 537 0.796 -8.132 1.660 1.00 61.44 H new ATOM 0 HG22 VAL A 537 1.664 -9.088 0.435 1.00 61.44 H new ATOM 0 HG23 VAL A 537 1.911 -9.424 2.164 1.00 61.44 H new ATOM 564 N PRO A 538 6.313 -7.160 0.467 1.00 41.52 N ATOM 565 CA PRO A 538 7.407 -6.209 0.620 1.00 2.24 C ATOM 566 C PRO A 538 6.928 -4.768 0.409 1.00 71.42 C ATOM 567 O PRO A 538 6.127 -4.496 -0.487 1.00 3.23 O ATOM 568 CB PRO A 538 8.398 -6.615 -0.474 1.00 74.52 C ATOM 569 CG PRO A 538 7.591 -7.324 -1.505 1.00 60.51 C ATOM 570 CD PRO A 538 6.374 -7.883 -0.812 1.00 20.02 C ATOM 0 HA PRO A 538 7.841 -6.232 1.620 1.00 2.24 H new ATOM 0 HB2 PRO A 538 8.894 -5.741 -0.897 1.00 74.52 H new ATOM 0 HB3 PRO A 538 9.179 -7.262 -0.075 1.00 74.52 H new ATOM 0 HG2 PRO A 538 7.300 -6.641 -2.303 1.00 60.51 H new ATOM 0 HG3 PRO A 538 8.172 -8.123 -1.966 1.00 60.51 H new ATOM 0 HD2 PRO A 538 5.472 -7.722 -1.402 1.00 20.02 H new ATOM 0 HD3 PRO A 538 6.465 -8.958 -0.656 1.00 20.02 H new ATOM 578 N TYR A 539 7.384 -3.861 1.234 1.00 71.21 N ATOM 579 CA TYR A 539 6.995 -2.470 1.098 1.00 65.22 C ATOM 580 C TYR A 539 8.226 -1.596 1.130 1.00 52.31 C ATOM 581 O TYR A 539 9.296 -2.039 1.597 1.00 72.21 O ATOM 582 CB TYR A 539 6.006 -2.032 2.211 1.00 62.53 C ATOM 583 CG TYR A 539 6.614 -1.904 3.600 1.00 34.03 C ATOM 584 CD1 TYR A 539 6.658 -2.981 4.462 1.00 61.33 C ATOM 585 CD2 TYR A 539 7.145 -0.692 4.039 1.00 45.23 C ATOM 586 CE1 TYR A 539 7.220 -2.867 5.717 1.00 54.12 C ATOM 587 CE2 TYR A 539 7.702 -0.569 5.287 1.00 73.52 C ATOM 588 CZ TYR A 539 7.740 -1.654 6.124 1.00 45.54 C ATOM 589 OH TYR A 539 8.326 -1.534 7.362 1.00 62.25 O ATOM 0 H TYR A 539 8.023 -4.053 2.006 1.00 71.21 H new ATOM 0 HA TYR A 539 6.483 -2.358 0.142 1.00 65.22 H new ATOM 0 HB2 TYR A 539 5.571 -1.072 1.932 1.00 62.53 H new ATOM 0 HB3 TYR A 539 5.189 -2.752 2.254 1.00 62.53 H new ATOM 0 HD1 TYR A 539 6.246 -3.929 4.149 1.00 61.33 H new ATOM 0 HD2 TYR A 539 7.117 0.166 3.384 1.00 45.23 H new ATOM 0 HE1 TYR A 539 7.253 -3.721 6.377 1.00 54.12 H new ATOM 0 HE2 TYR A 539 8.109 0.378 5.608 1.00 73.52 H new ATOM 0 HH TYR A 539 8.945 -0.775 7.359 1.00 62.25 H new ATOM 599 N LYS A 540 8.094 -0.388 0.631 1.00 73.33 N ATOM 600 CA LYS A 540 9.154 0.595 0.674 1.00 42.32 C ATOM 601 C LYS A 540 8.588 2.004 0.531 1.00 35.13 C ATOM 602 O LYS A 540 7.540 2.204 -0.113 1.00 72.32 O ATOM 603 CB LYS A 540 10.295 0.279 -0.360 1.00 51.14 C ATOM 604 CG LYS A 540 9.877 0.079 -1.835 1.00 13.22 C ATOM 605 CD LYS A 540 9.505 1.378 -2.531 1.00 43.42 C ATOM 606 CE LYS A 540 9.079 1.145 -3.973 1.00 45.35 C ATOM 607 NZ LYS A 540 10.173 0.601 -4.817 1.00 43.01 N ATOM 0 H LYS A 540 7.241 -0.057 0.180 1.00 73.33 H new ATOM 0 HA LYS A 540 9.628 0.541 1.654 1.00 42.32 H new ATOM 0 HB2 LYS A 540 11.020 1.092 -0.322 1.00 51.14 H new ATOM 0 HB3 LYS A 540 10.810 -0.623 -0.030 1.00 51.14 H new ATOM 0 HG2 LYS A 540 10.695 -0.395 -2.377 1.00 13.22 H new ATOM 0 HG3 LYS A 540 9.029 -0.604 -1.877 1.00 13.22 H new ATOM 0 HD2 LYS A 540 8.695 1.863 -1.987 1.00 43.42 H new ATOM 0 HD3 LYS A 540 10.356 2.059 -2.509 1.00 43.42 H new ATOM 0 HE2 LYS A 540 8.236 0.455 -3.991 1.00 45.35 H new ATOM 0 HE3 LYS A 540 8.730 2.085 -4.400 1.00 45.35 H new ATOM 0 HZ1 LYS A 540 9.871 0.589 -5.812 1.00 43.01 H new ATOM 0 HZ2 LYS A 540 11.018 1.200 -4.719 1.00 43.01 H new ATOM 0 HZ3 LYS A 540 10.398 -0.368 -4.512 1.00 43.01 H new ATOM 621 N THR A 541 9.222 2.947 1.181 1.00 53.40 N ATOM 622 CA THR A 541 8.854 4.338 1.082 1.00 51.53 C ATOM 623 C THR A 541 9.551 4.987 -0.103 1.00 42.30 C ATOM 624 O THR A 541 10.780 4.940 -0.200 1.00 12.10 O ATOM 625 CB THR A 541 9.266 5.102 2.364 1.00 12.45 C ATOM 626 OG1 THR A 541 10.586 4.701 2.757 1.00 11.44 O ATOM 627 CG2 THR A 541 8.311 4.861 3.505 1.00 44.11 C ATOM 0 H THR A 541 10.014 2.770 1.799 1.00 53.40 H new ATOM 0 HA THR A 541 7.773 4.387 0.953 1.00 51.53 H new ATOM 0 HB THR A 541 9.243 6.167 2.132 1.00 12.45 H new ATOM 0 HG1 THR A 541 11.154 4.622 1.962 1.00 11.44 H new ATOM 0 HG21 THR A 541 8.643 5.418 4.381 1.00 44.11 H new ATOM 0 HG22 THR A 541 7.313 5.193 3.220 1.00 44.11 H new ATOM 0 HG23 THR A 541 8.286 3.797 3.740 1.00 44.11 H new ATOM 635 N ILE A 542 8.795 5.539 -1.007 1.00 30.14 N ATOM 636 CA ILE A 542 9.369 6.309 -2.081 1.00 13.04 C ATOM 637 C ILE A 542 9.614 7.688 -1.512 1.00 4.02 C ATOM 638 O ILE A 542 8.677 8.302 -0.995 1.00 74.21 O ATOM 639 CB ILE A 542 8.435 6.440 -3.345 1.00 33.13 C ATOM 640 CG1 ILE A 542 8.147 5.093 -4.045 1.00 25.53 C ATOM 641 CG2 ILE A 542 9.006 7.432 -4.351 1.00 25.42 C ATOM 642 CD1 ILE A 542 7.173 4.189 -3.327 1.00 73.14 C ATOM 0 H ILE A 542 7.777 5.472 -1.025 1.00 30.14 H new ATOM 0 HA ILE A 542 10.271 5.807 -2.430 1.00 13.04 H new ATOM 0 HB ILE A 542 7.483 6.811 -2.965 1.00 33.13 H new ATOM 0 HG12 ILE A 542 7.760 5.296 -5.044 1.00 25.53 H new ATOM 0 HG13 ILE A 542 9.089 4.559 -4.171 1.00 25.53 H new ATOM 0 HG21 ILE A 542 8.341 7.501 -5.212 1.00 25.42 H new ATOM 0 HG22 ILE A 542 9.098 8.412 -3.883 1.00 25.42 H new ATOM 0 HG23 ILE A 542 9.989 7.093 -4.679 1.00 25.42 H new ATOM 0 HD11 ILE A 542 7.039 3.271 -3.899 1.00 73.14 H new ATOM 0 HD12 ILE A 542 7.562 3.947 -2.338 1.00 73.14 H new ATOM 0 HD13 ILE A 542 6.214 4.696 -3.225 1.00 73.14 H new ATOM 654 N GLU A 543 10.855 8.150 -1.555 1.00 10.23 N ATOM 655 CA GLU A 543 11.196 9.447 -0.999 1.00 2.41 C ATOM 656 C GLU A 543 10.473 10.542 -1.760 1.00 45.41 C ATOM 657 O GLU A 543 9.834 11.405 -1.162 1.00 35.45 O ATOM 658 CB GLU A 543 12.713 9.681 -1.003 1.00 32.22 C ATOM 659 CG GLU A 543 13.496 8.671 -0.174 1.00 52.32 C ATOM 660 CD GLU A 543 14.981 8.955 -0.146 1.00 24.11 C ATOM 661 OE1 GLU A 543 15.672 8.681 -1.147 1.00 73.12 O ATOM 662 OE2 GLU A 543 15.494 9.438 0.887 1.00 23.33 O ATOM 0 H GLU A 543 11.639 7.646 -1.969 1.00 10.23 H new ATOM 0 HA GLU A 543 10.871 9.469 0.041 1.00 2.41 H new ATOM 0 HB2 GLU A 543 13.073 9.649 -2.031 1.00 32.22 H new ATOM 0 HB3 GLU A 543 12.917 10.683 -0.625 1.00 32.22 H new ATOM 0 HG2 GLU A 543 13.112 8.671 0.846 1.00 52.32 H new ATOM 0 HG3 GLU A 543 13.330 7.672 -0.577 1.00 52.32 H new ATOM 669 N GLY A 544 10.555 10.479 -3.077 1.00 51.01 N ATOM 670 CA GLY A 544 9.869 11.426 -3.924 1.00 73.44 C ATOM 671 C GLY A 544 10.431 12.818 -3.794 1.00 51.14 C ATOM 672 O GLY A 544 11.410 13.170 -4.456 1.00 23.33 O ATOM 0 H GLY A 544 11.095 9.776 -3.581 1.00 51.01 H new ATOM 0 HA2 GLY A 544 9.943 11.102 -4.962 1.00 73.44 H new ATOM 0 HA3 GLY A 544 8.810 11.439 -3.668 1.00 73.44 H new ATOM 676 N THR A 545 9.840 13.591 -2.930 1.00 1.21 N ATOM 677 CA THR A 545 10.266 14.943 -2.705 1.00 4.35 C ATOM 678 C THR A 545 10.831 15.073 -1.279 1.00 52.52 C ATOM 679 O THR A 545 11.284 16.146 -0.868 1.00 13.41 O ATOM 680 CB THR A 545 9.068 15.933 -2.930 1.00 1.22 C ATOM 681 OG1 THR A 545 9.503 17.299 -2.896 1.00 51.04 O ATOM 682 CG2 THR A 545 7.969 15.732 -1.890 1.00 63.11 C ATOM 0 H THR A 545 9.046 13.301 -2.359 1.00 1.21 H new ATOM 0 HA THR A 545 11.052 15.201 -3.415 1.00 4.35 H new ATOM 0 HB THR A 545 8.665 15.711 -3.918 1.00 1.22 H new ATOM 0 HG1 THR A 545 10.198 17.404 -2.213 1.00 51.04 H new ATOM 0 HG21 THR A 545 7.157 16.435 -2.078 1.00 63.11 H new ATOM 0 HG22 THR A 545 7.589 14.712 -1.955 1.00 63.11 H new ATOM 0 HG23 THR A 545 8.375 15.905 -0.893 1.00 63.11 H new ATOM 690 N ALA A 546 10.809 13.966 -0.550 1.00 70.14 N ATOM 691 CA ALA A 546 11.248 13.923 0.828 1.00 24.03 C ATOM 692 C ALA A 546 12.683 13.424 0.944 1.00 64.44 C ATOM 693 O ALA A 546 13.303 13.030 -0.058 1.00 71.20 O ATOM 694 CB ALA A 546 10.325 13.022 1.615 1.00 62.44 C ATOM 0 H ALA A 546 10.482 13.068 -0.906 1.00 70.14 H new ATOM 0 HA ALA A 546 11.217 14.935 1.230 1.00 24.03 H new ATOM 0 HB1 ALA A 546 10.651 12.986 2.654 1.00 62.44 H new ATOM 0 HB2 ALA A 546 9.308 13.412 1.567 1.00 62.44 H new ATOM 0 HB3 ALA A 546 10.349 12.018 1.192 1.00 62.44 H new ATOM 700 N ARG A 547 13.199 13.418 2.162 1.00 51.22 N ATOM 701 CA ARG A 547 14.553 12.984 2.415 1.00 13.32 C ATOM 702 C ARG A 547 14.544 11.919 3.507 1.00 20.41 C ATOM 703 O ARG A 547 14.214 12.217 4.665 1.00 33.34 O ATOM 704 CB ARG A 547 15.390 14.156 2.901 1.00 71.41 C ATOM 705 CG ARG A 547 16.792 14.162 2.363 1.00 43.44 C ATOM 706 CD ARG A 547 16.779 14.576 0.932 1.00 53.51 C ATOM 707 NE ARG A 547 18.093 14.547 0.316 1.00 42.13 N ATOM 708 CZ ARG A 547 18.420 15.225 -0.785 1.00 51.15 C ATOM 709 NH1 ARG A 547 17.539 16.043 -1.362 1.00 33.32 N ATOM 710 NH2 ARG A 547 19.629 15.109 -1.290 1.00 3.12 N ATOM 0 H ARG A 547 12.690 13.713 2.995 1.00 51.22 H new ATOM 0 HA ARG A 547 14.974 12.584 1.493 1.00 13.32 H new ATOM 0 HB2 ARG A 547 14.897 15.086 2.616 1.00 71.41 H new ATOM 0 HB3 ARG A 547 15.428 14.136 3.990 1.00 71.41 H new ATOM 0 HG2 ARG A 547 17.412 14.845 2.944 1.00 43.44 H new ATOM 0 HG3 ARG A 547 17.234 13.170 2.461 1.00 43.44 H new ATOM 0 HD2 ARG A 547 16.110 13.919 0.377 1.00 53.51 H new ATOM 0 HD3 ARG A 547 16.371 15.584 0.856 1.00 53.51 H new ATOM 0 HE ARG A 547 18.812 13.971 0.753 1.00 42.13 H new ATOM 0 HH11 ARG A 547 16.607 16.154 -0.961 1.00 33.32 H new ATOM 0 HH12 ARG A 547 17.797 16.558 -2.204 1.00 33.32 H new ATOM 0 HH21 ARG A 547 20.314 14.502 -0.840 1.00 3.12 H new ATOM 0 HH22 ARG A 547 19.882 15.626 -2.132 1.00 3.12 H new ATOM 724 N GLY A 548 14.870 10.696 3.150 1.00 60.04 N ATOM 725 CA GLY A 548 14.899 9.610 4.106 1.00 13.52 C ATOM 726 C GLY A 548 16.148 9.622 4.963 1.00 64.21 C ATOM 727 O GLY A 548 16.835 10.639 5.053 1.00 60.24 O ATOM 0 H GLY A 548 15.120 10.427 2.198 1.00 60.04 H new ATOM 0 HA2 GLY A 548 14.021 9.673 4.749 1.00 13.52 H new ATOM 0 HA3 GLY A 548 14.837 8.661 3.574 1.00 13.52 H new ATOM 731 N GLY A 549 16.453 8.497 5.570 1.00 53.14 N ATOM 732 CA GLY A 549 17.590 8.387 6.471 1.00 31.11 C ATOM 733 C GLY A 549 17.421 9.187 7.744 1.00 21.23 C ATOM 734 O GLY A 549 18.392 9.489 8.433 1.00 52.41 O ATOM 0 H GLY A 549 15.925 7.632 5.457 1.00 53.14 H new ATOM 0 HA2 GLY A 549 17.743 7.338 6.726 1.00 31.11 H new ATOM 0 HA3 GLY A 549 18.489 8.724 5.954 1.00 31.11 H new ATOM 738 N GLY A 550 16.187 9.560 8.040 1.00 50.33 N ATOM 739 CA GLY A 550 15.906 10.353 9.212 1.00 63.34 C ATOM 740 C GLY A 550 16.271 11.806 8.986 1.00 1.40 C ATOM 741 O GLY A 550 16.300 12.597 9.903 1.00 73.10 O ATOM 0 H GLY A 550 15.367 9.323 7.481 1.00 50.33 H new ATOM 0 HA2 GLY A 550 14.848 10.275 9.463 1.00 63.34 H new ATOM 0 HA3 GLY A 550 16.465 9.962 10.062 1.00 63.34 H new ATOM 745 N GLU A 551 16.537 12.137 7.749 1.00 62.41 N ATOM 746 CA GLU A 551 16.998 13.449 7.383 1.00 11.54 C ATOM 747 C GLU A 551 15.843 14.450 7.335 1.00 42.54 C ATOM 748 O GLU A 551 15.973 15.583 7.797 1.00 41.40 O ATOM 749 CB GLU A 551 17.765 13.328 6.073 1.00 24.02 C ATOM 750 CG GLU A 551 18.390 14.575 5.536 1.00 53.45 C ATOM 751 CD GLU A 551 19.656 14.246 4.799 1.00 54.21 C ATOM 752 OE1 GLU A 551 19.601 13.686 3.693 1.00 13.42 O ATOM 753 OE2 GLU A 551 20.743 14.514 5.333 1.00 21.55 O ATOM 0 H GLU A 551 16.438 11.497 6.961 1.00 62.41 H new ATOM 0 HA GLU A 551 17.676 13.848 8.138 1.00 11.54 H new ATOM 0 HB2 GLU A 551 18.552 12.586 6.208 1.00 24.02 H new ATOM 0 HB3 GLU A 551 17.084 12.937 5.317 1.00 24.02 H new ATOM 0 HG2 GLU A 551 17.693 15.081 4.868 1.00 53.45 H new ATOM 0 HG3 GLU A 551 18.605 15.263 6.353 1.00 53.45 H new ATOM 760 N ASP A 552 14.731 14.035 6.779 1.00 32.12 N ATOM 761 CA ASP A 552 13.508 14.853 6.789 1.00 32.15 C ATOM 762 C ASP A 552 12.335 13.937 7.142 1.00 21.23 C ATOM 763 O ASP A 552 11.267 14.383 7.568 1.00 40.25 O ATOM 764 CB ASP A 552 13.297 15.578 5.438 1.00 12.12 C ATOM 765 CG ASP A 552 12.307 16.741 5.497 1.00 71.14 C ATOM 766 OD1 ASP A 552 12.612 17.803 6.139 1.00 54.13 O ATOM 767 OD2 ASP A 552 11.235 16.652 4.885 1.00 43.23 O ATOM 0 H ASP A 552 14.632 13.135 6.309 1.00 32.12 H new ATOM 0 HA ASP A 552 13.591 15.643 7.536 1.00 32.15 H new ATOM 0 HB2 ASP A 552 14.258 15.952 5.085 1.00 12.12 H new ATOM 0 HB3 ASP A 552 12.947 14.855 4.702 1.00 12.12 H new ATOM 772 N PHE A 553 12.556 12.636 6.932 1.00 54.43 N ATOM 773 CA PHE A 553 11.673 11.592 7.390 1.00 75.13 C ATOM 774 C PHE A 553 12.504 10.323 7.515 1.00 10.04 C ATOM 775 O PHE A 553 13.615 10.255 6.967 1.00 2.45 O ATOM 776 CB PHE A 553 10.469 11.367 6.455 1.00 62.14 C ATOM 777 CG PHE A 553 10.687 10.461 5.261 1.00 72.21 C ATOM 778 CD1 PHE A 553 11.336 10.902 4.138 1.00 13.54 C ATOM 779 CD2 PHE A 553 10.192 9.165 5.274 1.00 14.34 C ATOM 780 CE1 PHE A 553 11.502 10.070 3.043 1.00 22.22 C ATOM 781 CE2 PHE A 553 10.347 8.334 4.187 1.00 25.44 C ATOM 782 CZ PHE A 553 11.005 8.787 3.068 1.00 50.42 C ATOM 0 H PHE A 553 13.371 12.286 6.429 1.00 54.43 H new ATOM 0 HA PHE A 553 11.244 11.883 8.349 1.00 75.13 H new ATOM 0 HB2 PHE A 553 9.652 10.956 7.048 1.00 62.14 H new ATOM 0 HB3 PHE A 553 10.139 12.339 6.087 1.00 62.14 H new ATOM 0 HD1 PHE A 553 11.723 11.910 4.106 1.00 13.54 H new ATOM 0 HD2 PHE A 553 9.677 8.802 6.151 1.00 14.34 H new ATOM 0 HE1 PHE A 553 12.023 10.429 2.168 1.00 22.22 H new ATOM 0 HE2 PHE A 553 9.953 7.329 4.213 1.00 25.44 H new ATOM 0 HZ PHE A 553 11.131 8.139 2.213 1.00 50.42 H new ATOM 792 N GLU A 554 12.004 9.352 8.213 1.00 21.51 N ATOM 793 CA GLU A 554 12.712 8.112 8.420 1.00 25.41 C ATOM 794 C GLU A 554 12.159 7.108 7.392 1.00 31.40 C ATOM 795 O GLU A 554 11.000 6.698 7.491 1.00 1.41 O ATOM 796 CB GLU A 554 12.421 7.673 9.862 1.00 15.32 C ATOM 797 CG GLU A 554 13.431 6.756 10.539 1.00 22.11 C ATOM 798 CD GLU A 554 13.552 5.399 9.932 1.00 52.33 C ATOM 799 OE1 GLU A 554 12.715 4.524 10.236 1.00 4.30 O ATOM 800 OE2 GLU A 554 14.497 5.168 9.171 1.00 30.14 O ATOM 0 H GLU A 554 11.088 9.390 8.661 1.00 21.51 H new ATOM 0 HA GLU A 554 13.791 8.194 8.287 1.00 25.41 H new ATOM 0 HB2 GLU A 554 12.321 8.571 10.472 1.00 15.32 H new ATOM 0 HB3 GLU A 554 11.453 7.171 9.871 1.00 15.32 H new ATOM 0 HG2 GLU A 554 14.409 7.237 10.516 1.00 22.11 H new ATOM 0 HG3 GLU A 554 13.154 6.646 11.588 1.00 22.11 H new ATOM 807 N ASP A 555 12.958 6.759 6.388 1.00 75.35 N ATOM 808 CA ASP A 555 12.475 5.876 5.313 1.00 25.54 C ATOM 809 C ASP A 555 12.449 4.451 5.778 1.00 4.50 C ATOM 810 O ASP A 555 13.284 4.040 6.575 1.00 72.21 O ATOM 811 CB ASP A 555 13.280 6.009 3.992 1.00 61.11 C ATOM 812 CG ASP A 555 14.702 5.490 4.050 1.00 10.32 C ATOM 813 OD1 ASP A 555 15.604 6.264 4.412 1.00 12.42 O ATOM 814 OD2 ASP A 555 14.952 4.316 3.670 1.00 41.32 O ATOM 0 H ASP A 555 13.926 7.063 6.290 1.00 75.35 H new ATOM 0 HA ASP A 555 11.461 6.201 5.081 1.00 25.54 H new ATOM 0 HB2 ASP A 555 12.747 5.476 3.205 1.00 61.11 H new ATOM 0 HB3 ASP A 555 13.305 7.060 3.704 1.00 61.11 H new ATOM 819 N THR A 556 11.514 3.699 5.286 1.00 30.21 N ATOM 820 CA THR A 556 11.335 2.366 5.749 1.00 11.10 C ATOM 821 C THR A 556 11.021 1.406 4.604 1.00 33.01 C ATOM 822 O THR A 556 10.352 1.763 3.620 1.00 1.51 O ATOM 823 CB THR A 556 10.251 2.293 6.886 1.00 2.44 C ATOM 824 OG1 THR A 556 10.058 0.956 7.351 1.00 22.11 O ATOM 825 CG2 THR A 556 8.923 2.857 6.437 1.00 20.32 C ATOM 0 H THR A 556 10.861 3.992 4.559 1.00 30.21 H new ATOM 0 HA THR A 556 12.282 2.044 6.183 1.00 11.10 H new ATOM 0 HB THR A 556 10.634 2.902 7.705 1.00 2.44 H new ATOM 0 HG1 THR A 556 9.379 0.950 8.057 1.00 22.11 H new ATOM 0 HG21 THR A 556 8.203 2.787 7.253 1.00 20.32 H new ATOM 0 HG22 THR A 556 9.049 3.902 6.153 1.00 20.32 H new ATOM 0 HG23 THR A 556 8.557 2.290 5.581 1.00 20.32 H new ATOM 833 N CYS A 557 11.565 0.232 4.713 1.00 70.42 N ATOM 834 CA CYS A 557 11.349 -0.841 3.792 1.00 70.42 C ATOM 835 C CYS A 557 11.367 -2.125 4.589 1.00 54.24 C ATOM 836 O CYS A 557 12.023 -2.182 5.637 1.00 45.12 O ATOM 837 CB CYS A 557 12.437 -0.833 2.708 1.00 54.30 C ATOM 838 SG CYS A 557 14.127 -0.732 3.348 1.00 12.12 S ATOM 0 H CYS A 557 12.196 -0.014 5.476 1.00 70.42 H new ATOM 0 HA CYS A 557 10.392 -0.737 3.281 1.00 70.42 H new ATOM 0 HB2 CYS A 557 12.342 -1.738 2.108 1.00 54.30 H new ATOM 0 HB3 CYS A 557 12.263 0.011 2.041 1.00 54.30 H new ATOM 0 HG CYS A 557 14.967 -0.734 2.356 1.00 12.12 H new ATOM 844 N GLY A 558 10.637 -3.117 4.160 1.00 31.43 N ATOM 845 CA GLY A 558 10.586 -4.335 4.884 1.00 15.31 C ATOM 846 C GLY A 558 9.575 -5.248 4.289 1.00 1.25 C ATOM 847 O GLY A 558 9.073 -4.992 3.183 1.00 11.11 O ATOM 0 H GLY A 558 10.072 -3.096 3.311 1.00 31.43 H new ATOM 0 HA2 GLY A 558 11.566 -4.812 4.876 1.00 15.31 H new ATOM 0 HA3 GLY A 558 10.337 -4.136 5.926 1.00 15.31 H new ATOM 851 N GLU A 559 9.254 -6.276 5.005 1.00 72.52 N ATOM 852 CA GLU A 559 8.344 -7.290 4.558 1.00 75.34 C ATOM 853 C GLU A 559 7.238 -7.491 5.583 1.00 30.13 C ATOM 854 O GLU A 559 7.509 -7.736 6.761 1.00 42.54 O ATOM 855 CB GLU A 559 9.108 -8.589 4.376 1.00 3.52 C ATOM 856 CG GLU A 559 10.149 -8.568 3.271 1.00 54.41 C ATOM 857 CD GLU A 559 10.975 -9.830 3.246 1.00 4.14 C ATOM 858 OE1 GLU A 559 12.016 -9.884 3.920 1.00 23.21 O ATOM 859 OE2 GLU A 559 10.595 -10.800 2.555 1.00 45.53 O ATOM 0 H GLU A 559 9.624 -6.442 5.941 1.00 72.52 H new ATOM 0 HA GLU A 559 7.895 -6.984 3.613 1.00 75.34 H new ATOM 0 HB2 GLU A 559 9.601 -8.838 5.315 1.00 3.52 H new ATOM 0 HB3 GLU A 559 8.395 -9.387 4.169 1.00 3.52 H new ATOM 0 HG2 GLU A 559 9.653 -8.441 2.309 1.00 54.41 H new ATOM 0 HG3 GLU A 559 10.805 -7.708 3.408 1.00 54.41 H new ATOM 866 N LEU A 560 6.019 -7.365 5.145 1.00 22.15 N ATOM 867 CA LEU A 560 4.861 -7.583 5.989 1.00 5.13 C ATOM 868 C LEU A 560 4.377 -8.990 5.790 1.00 3.01 C ATOM 869 O LEU A 560 4.401 -9.499 4.668 1.00 50.15 O ATOM 870 CB LEU A 560 3.751 -6.607 5.628 1.00 0.31 C ATOM 871 CG LEU A 560 4.060 -5.134 5.838 1.00 22.22 C ATOM 872 CD1 LEU A 560 2.952 -4.294 5.278 1.00 54.25 C ATOM 873 CD2 LEU A 560 4.251 -4.820 7.315 1.00 62.22 C ATOM 0 H LEU A 560 5.790 -7.106 4.185 1.00 22.15 H new ATOM 0 HA LEU A 560 5.138 -7.424 7.031 1.00 5.13 H new ATOM 0 HB2 LEU A 560 3.490 -6.757 4.580 1.00 0.31 H new ATOM 0 HB3 LEU A 560 2.868 -6.859 6.215 1.00 0.31 H new ATOM 0 HG LEU A 560 4.989 -4.904 5.317 1.00 22.22 H new ATOM 0 HD11 LEU A 560 3.181 -3.240 5.433 1.00 54.25 H new ATOM 0 HD12 LEU A 560 2.850 -4.491 4.211 1.00 54.25 H new ATOM 0 HD13 LEU A 560 2.018 -4.540 5.783 1.00 54.25 H new ATOM 0 HD21 LEU A 560 4.471 -3.759 7.436 1.00 62.22 H new ATOM 0 HD22 LEU A 560 3.340 -5.066 7.860 1.00 62.22 H new ATOM 0 HD23 LEU A 560 5.079 -5.409 7.708 1.00 62.22 H new ATOM 885 N GLU A 561 3.943 -9.615 6.841 1.00 70.01 N ATOM 886 CA GLU A 561 3.527 -10.978 6.769 1.00 63.42 C ATOM 887 C GLU A 561 2.034 -11.117 7.080 1.00 2.11 C ATOM 888 O GLU A 561 1.585 -10.788 8.172 1.00 43.13 O ATOM 889 CB GLU A 561 4.399 -11.824 7.707 1.00 21.21 C ATOM 890 CG GLU A 561 4.175 -13.312 7.595 1.00 53.14 C ATOM 891 CD GLU A 561 5.220 -14.116 8.327 1.00 1.11 C ATOM 892 OE1 GLU A 561 6.315 -14.337 7.767 1.00 65.13 O ATOM 893 OE2 GLU A 561 4.976 -14.551 9.471 1.00 53.43 O ATOM 0 H GLU A 561 3.868 -9.196 7.768 1.00 70.01 H new ATOM 0 HA GLU A 561 3.663 -11.346 5.752 1.00 63.42 H new ATOM 0 HB2 GLU A 561 5.447 -11.610 7.499 1.00 21.21 H new ATOM 0 HB3 GLU A 561 4.209 -11.517 8.735 1.00 21.21 H new ATOM 0 HG2 GLU A 561 3.190 -13.558 7.992 1.00 53.14 H new ATOM 0 HG3 GLU A 561 4.175 -13.597 6.543 1.00 53.14 H new ATOM 900 N PHE A 562 1.287 -11.557 6.091 1.00 14.45 N ATOM 901 CA PHE A 562 -0.141 -11.817 6.219 1.00 42.11 C ATOM 902 C PHE A 562 -0.357 -13.291 6.354 1.00 74.53 C ATOM 903 O PHE A 562 0.317 -14.079 5.681 1.00 13.40 O ATOM 904 CB PHE A 562 -0.912 -11.355 4.982 1.00 32.12 C ATOM 905 CG PHE A 562 -1.395 -9.941 4.994 1.00 14.11 C ATOM 906 CD1 PHE A 562 -2.524 -9.606 5.722 1.00 10.33 C ATOM 907 CD2 PHE A 562 -0.770 -8.965 4.239 1.00 72.35 C ATOM 908 CE1 PHE A 562 -3.023 -8.323 5.699 1.00 33.12 C ATOM 909 CE2 PHE A 562 -1.260 -7.671 4.216 1.00 33.43 C ATOM 910 CZ PHE A 562 -2.392 -7.350 4.947 1.00 32.22 C ATOM 0 H PHE A 562 1.655 -11.749 5.159 1.00 14.45 H new ATOM 0 HA PHE A 562 -0.499 -11.271 7.092 1.00 42.11 H new ATOM 0 HB2 PHE A 562 -0.273 -11.491 4.110 1.00 32.12 H new ATOM 0 HB3 PHE A 562 -1.773 -12.010 4.851 1.00 32.12 H new ATOM 0 HD1 PHE A 562 -3.019 -10.360 6.315 1.00 10.33 H new ATOM 0 HD2 PHE A 562 0.108 -9.215 3.662 1.00 72.35 H new ATOM 0 HE1 PHE A 562 -3.907 -8.077 6.268 1.00 33.12 H new ATOM 0 HE2 PHE A 562 -0.761 -6.913 3.630 1.00 33.43 H new ATOM 0 HZ PHE A 562 -2.780 -6.342 4.929 1.00 32.22 H new ATOM 920 N GLN A 563 -1.270 -13.699 7.183 1.00 74.10 N ATOM 921 CA GLN A 563 -1.509 -15.112 7.319 1.00 3.44 C ATOM 922 C GLN A 563 -2.938 -15.442 6.946 1.00 74.32 C ATOM 923 O GLN A 563 -3.694 -14.566 6.531 1.00 43.02 O ATOM 924 CB GLN A 563 -1.202 -15.595 8.729 1.00 2.33 C ATOM 925 CG GLN A 563 0.159 -15.174 9.251 1.00 50.14 C ATOM 926 CD GLN A 563 0.688 -16.092 10.321 1.00 4.12 C ATOM 927 OE1 GLN A 563 1.358 -15.659 11.252 1.00 75.43 O ATOM 928 NE2 GLN A 563 0.484 -17.365 10.144 1.00 23.41 N ATOM 0 H GLN A 563 -1.851 -13.095 7.764 1.00 74.10 H new ATOM 0 HA GLN A 563 -0.837 -15.632 6.636 1.00 3.44 H new ATOM 0 HB2 GLN A 563 -1.970 -15.218 9.405 1.00 2.33 H new ATOM 0 HB3 GLN A 563 -1.265 -16.683 8.750 1.00 2.33 H new ATOM 0 HG2 GLN A 563 0.867 -15.145 8.423 1.00 50.14 H new ATOM 0 HG3 GLN A 563 0.092 -14.161 9.649 1.00 50.14 H new ATOM 0 HE21 GLN A 563 -0.080 -17.687 9.357 1.00 23.41 H new ATOM 0 HE22 GLN A 563 0.888 -18.041 10.792 1.00 23.41 H new ATOM 937 N ASN A 564 -3.292 -16.707 7.065 1.00 42.12 N ATOM 938 CA ASN A 564 -4.650 -17.156 6.805 1.00 62.43 C ATOM 939 C ASN A 564 -5.539 -16.732 7.957 1.00 12.43 C ATOM 940 O ASN A 564 -6.699 -16.380 7.784 1.00 10.55 O ATOM 941 CB ASN A 564 -4.713 -18.702 6.624 1.00 1.54 C ATOM 942 CG ASN A 564 -4.338 -19.517 7.874 1.00 31.51 C ATOM 943 OD1 ASN A 564 -3.498 -19.106 8.684 1.00 64.12 O ATOM 944 ND2 ASN A 564 -4.957 -20.658 8.038 1.00 32.25 N ATOM 0 H ASN A 564 -2.652 -17.451 7.343 1.00 42.12 H new ATOM 0 HA ASN A 564 -4.996 -16.701 5.877 1.00 62.43 H new ATOM 0 HB2 ASN A 564 -5.723 -18.976 6.319 1.00 1.54 H new ATOM 0 HB3 ASN A 564 -4.046 -18.985 5.810 1.00 1.54 H new ATOM 0 HD21 ASN A 564 -4.752 -21.237 8.852 1.00 32.25 H new ATOM 0 HD22 ASN A 564 -5.645 -20.968 7.352 1.00 32.25 H new ATOM 951 N ASP A 565 -4.956 -16.751 9.124 1.00 60.15 N ATOM 952 CA ASP A 565 -5.631 -16.407 10.351 1.00 23.10 C ATOM 953 C ASP A 565 -5.419 -14.942 10.694 1.00 21.02 C ATOM 954 O ASP A 565 -6.363 -14.241 11.067 1.00 2.12 O ATOM 955 CB ASP A 565 -5.122 -17.306 11.477 1.00 50.32 C ATOM 956 CG ASP A 565 -5.753 -17.014 12.818 1.00 11.01 C ATOM 957 OD1 ASP A 565 -6.933 -17.364 13.023 1.00 12.10 O ATOM 958 OD2 ASP A 565 -5.063 -16.471 13.709 1.00 4.10 O ATOM 0 H ASP A 565 -3.978 -17.011 9.254 1.00 60.15 H new ATOM 0 HA ASP A 565 -6.702 -16.563 10.224 1.00 23.10 H new ATOM 0 HB2 ASP A 565 -5.313 -18.346 11.214 1.00 50.32 H new ATOM 0 HB3 ASP A 565 -4.041 -17.192 11.561 1.00 50.32 H new ATOM 963 N GLU A 566 -4.193 -14.478 10.538 1.00 0.43 N ATOM 964 CA GLU A 566 -3.839 -13.104 10.845 1.00 3.21 C ATOM 965 C GLU A 566 -4.431 -12.146 9.838 1.00 11.11 C ATOM 966 O GLU A 566 -4.198 -12.266 8.630 1.00 74.22 O ATOM 967 CB GLU A 566 -2.317 -12.917 10.932 1.00 22.15 C ATOM 968 CG GLU A 566 -1.903 -11.519 11.358 1.00 43.51 C ATOM 969 CD GLU A 566 -0.469 -11.433 11.806 1.00 31.53 C ATOM 970 OE1 GLU A 566 -0.163 -11.881 12.941 1.00 20.33 O ATOM 971 OE2 GLU A 566 0.360 -10.873 11.094 1.00 22.53 O ATOM 0 H GLU A 566 -3.415 -15.042 10.195 1.00 0.43 H new ATOM 0 HA GLU A 566 -4.262 -12.877 11.824 1.00 3.21 H new ATOM 0 HB2 GLU A 566 -1.910 -13.640 11.639 1.00 22.15 H new ATOM 0 HB3 GLU A 566 -1.875 -13.138 9.960 1.00 22.15 H new ATOM 0 HG2 GLU A 566 -2.058 -10.832 10.526 1.00 43.51 H new ATOM 0 HG3 GLU A 566 -2.550 -11.187 12.170 1.00 43.51 H new ATOM 978 N ILE A 567 -5.191 -11.209 10.332 1.00 41.34 N ATOM 979 CA ILE A 567 -5.798 -10.227 9.492 1.00 52.51 C ATOM 980 C ILE A 567 -5.053 -8.920 9.653 1.00 52.44 C ATOM 981 O ILE A 567 -4.325 -8.756 10.636 1.00 60.33 O ATOM 982 CB ILE A 567 -7.280 -9.968 9.846 1.00 44.25 C ATOM 983 CG1 ILE A 567 -7.408 -9.344 11.236 1.00 72.02 C ATOM 984 CG2 ILE A 567 -8.081 -11.258 9.772 1.00 3.14 C ATOM 985 CD1 ILE A 567 -8.644 -8.514 11.385 1.00 32.15 C ATOM 0 H ILE A 567 -5.404 -11.108 11.324 1.00 41.34 H new ATOM 0 HA ILE A 567 -5.752 -10.607 8.471 1.00 52.51 H new ATOM 0 HB ILE A 567 -7.682 -9.265 9.116 1.00 44.25 H new ATOM 0 HG12 ILE A 567 -7.414 -10.135 11.986 1.00 72.02 H new ATOM 0 HG13 ILE A 567 -6.533 -8.724 11.434 1.00 72.02 H new ATOM 0 HG21 ILE A 567 -9.122 -11.055 10.025 1.00 3.14 H new ATOM 0 HG22 ILE A 567 -8.025 -11.664 8.762 1.00 3.14 H new ATOM 0 HG23 ILE A 567 -7.671 -11.982 10.477 1.00 3.14 H new ATOM 0 HD11 ILE A 567 -8.683 -8.096 12.391 1.00 32.15 H new ATOM 0 HD12 ILE A 567 -8.628 -7.704 10.656 1.00 32.15 H new ATOM 0 HD13 ILE A 567 -9.523 -9.137 11.217 1.00 32.15 H new ATOM 997 N VAL A 568 -5.316 -7.995 8.724 1.00 40.22 N ATOM 998 CA VAL A 568 -4.748 -6.624 8.640 1.00 34.14 C ATOM 999 C VAL A 568 -3.181 -6.528 8.816 1.00 54.10 C ATOM 1000 O VAL A 568 -2.522 -7.437 9.302 1.00 63.55 O ATOM 1001 CB VAL A 568 -5.495 -5.649 9.625 1.00 62.32 C ATOM 1002 CG1 VAL A 568 -4.978 -5.715 11.056 1.00 32.42 C ATOM 1003 CG2 VAL A 568 -5.518 -4.228 9.111 1.00 71.34 C ATOM 0 H VAL A 568 -5.967 -8.183 7.962 1.00 40.22 H new ATOM 0 HA VAL A 568 -4.923 -6.310 7.611 1.00 34.14 H new ATOM 0 HB VAL A 568 -6.524 -6.007 9.659 1.00 62.32 H new ATOM 0 HG11 VAL A 568 -5.539 -5.017 11.678 1.00 32.42 H new ATOM 0 HG12 VAL A 568 -5.104 -6.727 11.442 1.00 32.42 H new ATOM 0 HG13 VAL A 568 -3.921 -5.449 11.074 1.00 32.42 H new ATOM 0 HG21 VAL A 568 -6.043 -3.592 9.823 1.00 71.34 H new ATOM 0 HG22 VAL A 568 -4.496 -3.869 8.989 1.00 71.34 H new ATOM 0 HG23 VAL A 568 -6.031 -4.197 8.150 1.00 71.34 H new ATOM 1013 N LYS A 569 -2.605 -5.442 8.357 1.00 63.52 N ATOM 1014 CA LYS A 569 -1.191 -5.143 8.593 1.00 73.11 C ATOM 1015 C LYS A 569 -1.034 -3.674 8.811 1.00 11.03 C ATOM 1016 O LYS A 569 -1.959 -2.904 8.521 1.00 42.34 O ATOM 1017 CB LYS A 569 -0.259 -5.588 7.449 1.00 54.44 C ATOM 1018 CG LYS A 569 0.041 -7.089 7.331 1.00 25.44 C ATOM 1019 CD LYS A 569 1.057 -7.634 8.353 1.00 72.33 C ATOM 1020 CE LYS A 569 0.545 -7.703 9.783 1.00 52.34 C ATOM 1021 NZ LYS A 569 1.436 -8.497 10.640 1.00 43.32 N ATOM 0 H LYS A 569 -3.093 -4.734 7.808 1.00 63.52 H new ATOM 0 HA LYS A 569 -0.894 -5.713 9.473 1.00 73.11 H new ATOM 0 HB2 LYS A 569 -0.698 -5.256 6.508 1.00 54.44 H new ATOM 0 HB3 LYS A 569 0.689 -5.062 7.562 1.00 54.44 H new ATOM 0 HG2 LYS A 569 -0.893 -7.640 7.441 1.00 25.44 H new ATOM 0 HG3 LYS A 569 0.414 -7.291 6.327 1.00 25.44 H new ATOM 0 HD2 LYS A 569 1.364 -8.633 8.043 1.00 72.33 H new ATOM 0 HD3 LYS A 569 1.947 -7.006 8.330 1.00 72.33 H new ATOM 0 HE2 LYS A 569 0.455 -6.695 10.187 1.00 52.34 H new ATOM 0 HE3 LYS A 569 -0.453 -8.140 9.792 1.00 52.34 H new ATOM 0 HZ1 LYS A 569 0.911 -9.304 11.034 1.00 43.32 H new ATOM 0 HZ2 LYS A 569 2.238 -8.847 10.077 1.00 43.32 H new ATOM 0 HZ3 LYS A 569 1.791 -7.903 11.416 1.00 43.32 H new ATOM 1035 N THR A 570 0.108 -3.285 9.309 1.00 73.10 N ATOM 1036 CA THR A 570 0.402 -1.894 9.557 1.00 51.34 C ATOM 1037 C THR A 570 1.813 -1.511 9.164 1.00 34.52 C ATOM 1038 O THR A 570 2.783 -2.167 9.554 1.00 64.00 O ATOM 1039 CB THR A 570 0.168 -1.505 11.031 1.00 14.24 C ATOM 1040 OG1 THR A 570 0.529 -2.598 11.899 1.00 71.40 O ATOM 1041 CG2 THR A 570 -1.265 -1.091 11.279 1.00 74.32 C ATOM 0 H THR A 570 0.865 -3.923 9.556 1.00 73.10 H new ATOM 0 HA THR A 570 -0.293 -1.341 8.925 1.00 51.34 H new ATOM 0 HB THR A 570 0.803 -0.647 11.252 1.00 14.24 H new ATOM 0 HG1 THR A 570 0.378 -2.339 12.832 1.00 71.40 H new ATOM 0 HG21 THR A 570 -1.390 -0.824 12.328 1.00 74.32 H new ATOM 0 HG22 THR A 570 -1.509 -0.231 10.655 1.00 74.32 H new ATOM 0 HG23 THR A 570 -1.931 -1.918 11.033 1.00 74.32 H new ATOM 1049 N ILE A 571 1.920 -0.480 8.363 1.00 4.01 N ATOM 1050 CA ILE A 571 3.204 0.107 8.070 1.00 73.42 C ATOM 1051 C ILE A 571 3.367 1.267 9.011 1.00 11.25 C ATOM 1052 O ILE A 571 2.511 2.145 9.056 1.00 44.14 O ATOM 1053 CB ILE A 571 3.385 0.645 6.597 1.00 62.01 C ATOM 1054 CG1 ILE A 571 3.341 -0.459 5.546 1.00 33.24 C ATOM 1055 CG2 ILE A 571 4.692 1.404 6.459 1.00 12.03 C ATOM 1056 CD1 ILE A 571 1.982 -1.002 5.275 1.00 70.54 C ATOM 0 H ILE A 571 1.131 -0.029 7.901 1.00 4.01 H new ATOM 0 HA ILE A 571 3.949 -0.681 8.186 1.00 73.42 H new ATOM 0 HB ILE A 571 2.540 1.310 6.417 1.00 62.01 H new ATOM 0 HG12 ILE A 571 3.756 -0.073 4.615 1.00 33.24 H new ATOM 0 HG13 ILE A 571 3.987 -1.276 5.869 1.00 33.24 H new ATOM 0 HG21 ILE A 571 4.796 1.766 5.436 1.00 12.03 H new ATOM 0 HG22 ILE A 571 4.695 2.251 7.146 1.00 12.03 H new ATOM 0 HG23 ILE A 571 5.524 0.741 6.696 1.00 12.03 H new ATOM 0 HD11 ILE A 571 2.046 -1.781 4.516 1.00 70.54 H new ATOM 0 HD12 ILE A 571 1.569 -1.422 6.192 1.00 70.54 H new ATOM 0 HD13 ILE A 571 1.334 -0.201 4.919 1.00 70.54 H new ATOM 1068 N SER A 572 4.395 1.238 9.780 1.00 61.44 N ATOM 1069 CA SER A 572 4.688 2.300 10.684 1.00 10.22 C ATOM 1070 C SER A 572 5.890 3.082 10.154 1.00 11.42 C ATOM 1071 O SER A 572 6.934 2.494 9.862 1.00 13.22 O ATOM 1072 CB SER A 572 4.968 1.705 12.058 1.00 42.22 C ATOM 1073 OG SER A 572 3.844 0.943 12.514 1.00 44.31 O ATOM 0 H SER A 572 5.066 0.470 9.803 1.00 61.44 H new ATOM 0 HA SER A 572 3.846 2.987 10.771 1.00 10.22 H new ATOM 0 HB2 SER A 572 5.852 1.068 12.012 1.00 42.22 H new ATOM 0 HB3 SER A 572 5.186 2.502 12.768 1.00 42.22 H new ATOM 0 HG SER A 572 4.041 0.566 13.397 1.00 44.31 H new ATOM 1079 N VAL A 573 5.727 4.381 9.993 1.00 60.44 N ATOM 1080 CA VAL A 573 6.782 5.242 9.468 1.00 3.22 C ATOM 1081 C VAL A 573 7.029 6.357 10.461 1.00 30.42 C ATOM 1082 O VAL A 573 6.070 6.890 11.046 1.00 63.42 O ATOM 1083 CB VAL A 573 6.405 5.868 8.083 1.00 41.14 C ATOM 1084 CG1 VAL A 573 7.548 6.710 7.516 1.00 14.12 C ATOM 1085 CG2 VAL A 573 5.996 4.797 7.085 1.00 52.10 C ATOM 0 H VAL A 573 4.863 4.873 10.220 1.00 60.44 H new ATOM 0 HA VAL A 573 7.674 4.633 9.322 1.00 3.22 H new ATOM 0 HB VAL A 573 5.552 6.525 8.253 1.00 41.14 H new ATOM 0 HG11 VAL A 573 7.250 7.128 6.555 1.00 14.12 H new ATOM 0 HG12 VAL A 573 7.781 7.520 8.207 1.00 14.12 H new ATOM 0 HG13 VAL A 573 8.430 6.083 7.381 1.00 14.12 H new ATOM 0 HG21 VAL A 573 5.740 5.264 6.134 1.00 52.10 H new ATOM 0 HG22 VAL A 573 6.823 4.102 6.937 1.00 52.10 H new ATOM 0 HG23 VAL A 573 5.131 4.255 7.467 1.00 52.10 H new ATOM 1095 N LYS A 574 8.281 6.692 10.660 1.00 61.01 N ATOM 1096 CA LYS A 574 8.661 7.709 11.600 1.00 75.41 C ATOM 1097 C LYS A 574 8.846 9.060 10.926 1.00 21.02 C ATOM 1098 O LYS A 574 9.533 9.190 9.891 1.00 60.13 O ATOM 1099 CB LYS A 574 9.927 7.283 12.359 1.00 43.21 C ATOM 1100 CG LYS A 574 10.459 8.300 13.358 1.00 73.21 C ATOM 1101 CD LYS A 574 11.673 7.758 14.080 1.00 31.54 C ATOM 1102 CE LYS A 574 12.162 8.715 15.147 1.00 14.14 C ATOM 1103 NZ LYS A 574 13.328 8.176 15.879 1.00 2.44 N ATOM 0 H LYS A 574 9.066 6.262 10.170 1.00 61.01 H new ATOM 0 HA LYS A 574 7.850 7.825 12.319 1.00 75.41 H new ATOM 0 HB2 LYS A 574 9.718 6.353 12.888 1.00 43.21 H new ATOM 0 HB3 LYS A 574 10.711 7.067 11.633 1.00 43.21 H new ATOM 0 HG2 LYS A 574 10.720 9.223 12.840 1.00 73.21 H new ATOM 0 HG3 LYS A 574 9.681 8.548 14.080 1.00 73.21 H new ATOM 0 HD2 LYS A 574 11.427 6.799 14.536 1.00 31.54 H new ATOM 0 HD3 LYS A 574 12.472 7.574 13.362 1.00 31.54 H new ATOM 0 HE2 LYS A 574 12.430 9.666 14.686 1.00 14.14 H new ATOM 0 HE3 LYS A 574 11.354 8.918 15.850 1.00 14.14 H new ATOM 0 HZ1 LYS A 574 13.632 8.861 16.600 1.00 2.44 H new ATOM 0 HZ2 LYS A 574 13.065 7.282 16.340 1.00 2.44 H new ATOM 0 HZ3 LYS A 574 14.108 8.006 15.212 1.00 2.44 H new ATOM 1117 N VAL A 575 8.218 10.045 11.501 1.00 52.45 N ATOM 1118 CA VAL A 575 8.332 11.403 11.064 1.00 3.44 C ATOM 1119 C VAL A 575 9.428 12.051 11.901 1.00 52.22 C ATOM 1120 O VAL A 575 9.541 11.783 13.100 1.00 3.53 O ATOM 1121 CB VAL A 575 6.983 12.167 11.231 1.00 65.33 C ATOM 1122 CG1 VAL A 575 7.091 13.611 10.746 1.00 62.04 C ATOM 1123 CG2 VAL A 575 5.867 11.447 10.481 1.00 61.21 C ATOM 0 H VAL A 575 7.600 9.922 12.303 1.00 52.45 H new ATOM 0 HA VAL A 575 8.581 11.440 10.003 1.00 3.44 H new ATOM 0 HB VAL A 575 6.746 12.186 12.295 1.00 65.33 H new ATOM 0 HG11 VAL A 575 6.132 14.112 10.878 1.00 62.04 H new ATOM 0 HG12 VAL A 575 7.855 14.132 11.323 1.00 62.04 H new ATOM 0 HG13 VAL A 575 7.363 13.621 9.691 1.00 62.04 H new ATOM 0 HG21 VAL A 575 4.932 11.993 10.608 1.00 61.21 H new ATOM 0 HG22 VAL A 575 6.116 11.395 9.421 1.00 61.21 H new ATOM 0 HG23 VAL A 575 5.754 10.438 10.877 1.00 61.21 H new ATOM 1133 N ILE A 576 10.249 12.840 11.275 1.00 21.11 N ATOM 1134 CA ILE A 576 11.365 13.455 11.948 1.00 2.51 C ATOM 1135 C ILE A 576 11.040 14.911 12.192 1.00 53.13 C ATOM 1136 O ILE A 576 10.351 15.529 11.372 1.00 61.22 O ATOM 1137 CB ILE A 576 12.658 13.352 11.074 1.00 74.40 C ATOM 1138 CG1 ILE A 576 12.941 11.891 10.689 1.00 41.34 C ATOM 1139 CG2 ILE A 576 13.871 13.961 11.779 1.00 35.24 C ATOM 1140 CD1 ILE A 576 13.153 10.949 11.848 1.00 32.54 C ATOM 0 H ILE A 576 10.169 13.078 10.286 1.00 21.11 H new ATOM 0 HA ILE A 576 11.543 12.941 12.893 1.00 2.51 H new ATOM 0 HB ILE A 576 12.480 13.927 10.165 1.00 74.40 H new ATOM 0 HG12 ILE A 576 12.108 11.522 10.090 1.00 41.34 H new ATOM 0 HG13 ILE A 576 13.827 11.865 10.054 1.00 41.34 H new ATOM 0 HG21 ILE A 576 14.748 13.869 11.139 1.00 35.24 H new ATOM 0 HG22 ILE A 576 13.681 15.014 11.985 1.00 35.24 H new ATOM 0 HG23 ILE A 576 14.049 13.434 12.716 1.00 35.24 H new ATOM 0 HD11 ILE A 576 13.345 9.945 11.470 1.00 32.54 H new ATOM 0 HD12 ILE A 576 14.006 11.284 12.438 1.00 32.54 H new ATOM 0 HD13 ILE A 576 12.261 10.936 12.475 1.00 32.54 H new ATOM 1152 N ASP A 577 11.485 15.442 13.327 1.00 71.21 N ATOM 1153 CA ASP A 577 11.325 16.856 13.614 1.00 50.24 C ATOM 1154 C ASP A 577 12.024 17.653 12.523 1.00 54.12 C ATOM 1155 O ASP A 577 13.180 17.386 12.159 1.00 23.44 O ATOM 1156 CB ASP A 577 11.807 17.247 15.038 1.00 30.24 C ATOM 1157 CG ASP A 577 13.284 17.025 15.305 1.00 2.33 C ATOM 1158 OD1 ASP A 577 13.668 15.912 15.761 1.00 74.31 O ATOM 1159 OD2 ASP A 577 14.081 17.966 15.118 1.00 12.25 O ATOM 0 H ASP A 577 11.958 14.912 14.059 1.00 71.21 H new ATOM 0 HA ASP A 577 10.262 17.096 13.612 1.00 50.24 H new ATOM 0 HB2 ASP A 577 11.578 18.300 15.205 1.00 30.24 H new ATOM 0 HB3 ASP A 577 11.233 16.676 15.768 1.00 30.24 H new ATOM 1164 N ASP A 578 11.313 18.586 11.989 1.00 74.14 N ATOM 1165 CA ASP A 578 11.705 19.269 10.782 1.00 42.32 C ATOM 1166 C ASP A 578 12.768 20.309 11.043 1.00 54.11 C ATOM 1167 O ASP A 578 12.544 21.298 11.744 1.00 73.00 O ATOM 1168 CB ASP A 578 10.496 19.908 10.172 1.00 34.02 C ATOM 1169 CG ASP A 578 10.560 20.061 8.680 1.00 31.11 C ATOM 1170 OD1 ASP A 578 11.612 19.678 8.044 1.00 23.42 O ATOM 1171 OD2 ASP A 578 9.515 20.512 8.094 1.00 54.20 O ATOM 0 H ASP A 578 10.427 18.909 12.377 1.00 74.14 H new ATOM 0 HA ASP A 578 12.132 18.538 10.095 1.00 42.32 H new ATOM 0 HB2 ASP A 578 9.619 19.313 10.426 1.00 34.02 H new ATOM 0 HB3 ASP A 578 10.355 20.892 10.620 1.00 34.02 H new ATOM 1176 N GLU A 579 13.894 20.091 10.447 1.00 73.04 N ATOM 1177 CA GLU A 579 15.068 20.924 10.587 1.00 54.23 C ATOM 1178 C GLU A 579 15.011 22.244 9.781 1.00 0.41 C ATOM 1179 O GLU A 579 15.798 23.155 10.033 1.00 23.13 O ATOM 1180 CB GLU A 579 16.353 20.113 10.314 1.00 24.52 C ATOM 1181 CG GLU A 579 16.179 18.864 9.430 1.00 3.43 C ATOM 1182 CD GLU A 579 15.592 19.146 8.073 1.00 62.53 C ATOM 1183 OE1 GLU A 579 16.338 19.440 7.152 1.00 65.55 O ATOM 1184 OE2 GLU A 579 14.325 19.066 7.917 1.00 22.40 O ATOM 0 H GLU A 579 14.039 19.298 9.821 1.00 73.04 H new ATOM 0 HA GLU A 579 15.089 21.249 11.627 1.00 54.23 H new ATOM 0 HB2 GLU A 579 17.083 20.771 9.842 1.00 24.52 H new ATOM 0 HB3 GLU A 579 16.775 19.803 11.270 1.00 24.52 H new ATOM 0 HG2 GLU A 579 17.150 18.386 9.301 1.00 3.43 H new ATOM 0 HG3 GLU A 579 15.539 18.151 9.950 1.00 3.43 H new ATOM 1191 N GLU A 580 14.119 22.339 8.817 1.00 2.25 N ATOM 1192 CA GLU A 580 13.900 23.587 8.110 1.00 31.12 C ATOM 1193 C GLU A 580 12.402 23.694 7.874 1.00 61.05 C ATOM 1194 O GLU A 580 11.663 22.848 8.367 1.00 13.43 O ATOM 1195 CB GLU A 580 14.705 23.664 6.764 1.00 0.42 C ATOM 1196 CG GLU A 580 14.097 22.968 5.524 1.00 25.53 C ATOM 1197 CD GLU A 580 14.004 21.458 5.574 1.00 32.55 C ATOM 1198 OE1 GLU A 580 13.173 20.902 6.318 1.00 4.45 O ATOM 1199 OE2 GLU A 580 14.707 20.796 4.832 1.00 33.11 O ATOM 0 H GLU A 580 13.532 21.566 8.503 1.00 2.25 H new ATOM 0 HA GLU A 580 14.264 24.425 8.704 1.00 31.12 H new ATOM 0 HB2 GLU A 580 14.852 24.716 6.520 1.00 0.42 H new ATOM 0 HB3 GLU A 580 15.692 23.237 6.938 1.00 0.42 H new ATOM 0 HG2 GLU A 580 13.095 23.366 5.367 1.00 25.53 H new ATOM 0 HG3 GLU A 580 14.690 23.244 4.653 1.00 25.53 H new ATOM 1206 N TYR A 581 11.936 24.710 7.189 1.00 24.42 N ATOM 1207 CA TYR A 581 10.530 24.747 6.857 1.00 44.52 C ATOM 1208 C TYR A 581 10.366 23.986 5.550 1.00 62.11 C ATOM 1209 O TYR A 581 11.295 23.938 4.734 1.00 14.53 O ATOM 1210 CB TYR A 581 9.997 26.187 6.704 1.00 3.32 C ATOM 1211 CG TYR A 581 10.303 26.843 5.368 1.00 51.15 C ATOM 1212 CD1 TYR A 581 11.560 27.354 5.077 1.00 34.43 C ATOM 1213 CD2 TYR A 581 9.317 26.931 4.393 1.00 20.05 C ATOM 1214 CE1 TYR A 581 11.821 27.932 3.852 1.00 3.30 C ATOM 1215 CE2 TYR A 581 9.568 27.504 3.176 1.00 4.31 C ATOM 1216 CZ TYR A 581 10.813 28.005 2.903 1.00 14.14 C ATOM 1217 OH TYR A 581 11.057 28.579 1.668 1.00 72.23 O ATOM 0 H TYR A 581 12.489 25.501 6.858 1.00 24.42 H new ATOM 0 HA TYR A 581 9.954 24.295 7.665 1.00 44.52 H new ATOM 0 HB2 TYR A 581 8.917 26.176 6.848 1.00 3.32 H new ATOM 0 HB3 TYR A 581 10.419 26.802 7.499 1.00 3.32 H new ATOM 0 HD1 TYR A 581 12.343 27.298 5.818 1.00 34.43 H new ATOM 0 HD2 TYR A 581 8.332 26.539 4.600 1.00 20.05 H new ATOM 0 HE1 TYR A 581 12.803 28.325 3.634 1.00 3.30 H new ATOM 0 HE2 TYR A 581 8.786 27.561 2.433 1.00 4.31 H new ATOM 0 HH TYR A 581 10.242 28.546 1.125 1.00 72.23 H new ATOM 1227 N GLU A 582 9.243 23.421 5.330 1.00 72.01 N ATOM 1228 CA GLU A 582 9.041 22.669 4.129 1.00 43.33 C ATOM 1229 C GLU A 582 7.727 23.076 3.516 1.00 64.45 C ATOM 1230 O GLU A 582 6.990 23.895 4.087 1.00 61.51 O ATOM 1231 CB GLU A 582 8.996 21.172 4.457 1.00 24.23 C ATOM 1232 CG GLU A 582 7.783 20.803 5.276 1.00 50.44 C ATOM 1233 CD GLU A 582 7.680 19.358 5.608 1.00 14.11 C ATOM 1234 OE1 GLU A 582 7.382 18.558 4.753 1.00 41.51 O ATOM 1235 OE2 GLU A 582 7.893 19.016 6.792 1.00 34.51 O ATOM 0 H GLU A 582 8.441 23.457 5.959 1.00 72.01 H new ATOM 0 HA GLU A 582 9.859 22.863 3.435 1.00 43.33 H new ATOM 0 HB2 GLU A 582 8.994 20.599 3.530 1.00 24.23 H new ATOM 0 HB3 GLU A 582 9.898 20.894 5.002 1.00 24.23 H new ATOM 0 HG2 GLU A 582 7.798 21.376 6.203 1.00 50.44 H new ATOM 0 HG3 GLU A 582 6.888 21.102 4.731 1.00 50.44 H new ATOM 1242 N LYS A 583 7.450 22.535 2.374 1.00 60.23 N ATOM 1243 CA LYS A 583 6.159 22.651 1.766 1.00 21.15 C ATOM 1244 C LYS A 583 5.453 21.352 2.065 1.00 64.43 C ATOM 1245 O LYS A 583 5.892 20.625 2.935 1.00 21.30 O ATOM 1246 CB LYS A 583 6.288 22.908 0.261 1.00 42.11 C ATOM 1247 CG LYS A 583 6.958 24.239 -0.065 1.00 72.54 C ATOM 1248 CD LYS A 583 6.979 24.533 -1.559 1.00 31.20 C ATOM 1249 CE LYS A 583 5.570 24.632 -2.137 1.00 44.32 C ATOM 1250 NZ LYS A 583 5.577 25.048 -3.551 1.00 14.34 N ATOM 0 H LYS A 583 8.120 21.993 1.828 1.00 60.23 H new ATOM 0 HA LYS A 583 5.594 23.496 2.158 1.00 21.15 H new ATOM 0 HB2 LYS A 583 6.862 22.099 -0.191 1.00 42.11 H new ATOM 0 HB3 LYS A 583 5.296 22.887 -0.191 1.00 42.11 H new ATOM 0 HG2 LYS A 583 6.433 25.042 0.452 1.00 72.54 H new ATOM 0 HG3 LYS A 583 7.980 24.230 0.314 1.00 72.54 H new ATOM 0 HD2 LYS A 583 7.512 25.467 -1.738 1.00 31.20 H new ATOM 0 HD3 LYS A 583 7.530 23.747 -2.076 1.00 31.20 H new ATOM 0 HE2 LYS A 583 5.073 23.666 -2.047 1.00 44.32 H new ATOM 0 HE3 LYS A 583 4.989 25.345 -1.553 1.00 44.32 H new ATOM 0 HZ1 LYS A 583 4.599 25.102 -3.902 1.00 14.34 H new ATOM 0 HZ2 LYS A 583 6.027 25.982 -3.636 1.00 14.34 H new ATOM 0 HZ3 LYS A 583 6.109 24.354 -4.114 1.00 14.34 H new ATOM 1264 N ASN A 584 4.385 21.055 1.423 1.00 30.12 N ATOM 1265 CA ASN A 584 3.737 19.792 1.695 1.00 32.11 C ATOM 1266 C ASN A 584 4.491 18.628 1.084 1.00 42.30 C ATOM 1267 O ASN A 584 4.280 18.258 -0.075 1.00 53.00 O ATOM 1268 CB ASN A 584 2.248 19.797 1.346 1.00 44.15 C ATOM 1269 CG ASN A 584 1.423 20.511 2.404 1.00 11.51 C ATOM 1270 OD1 ASN A 584 1.792 20.541 3.568 1.00 32.21 O ATOM 1271 ND2 ASN A 584 0.308 21.071 2.027 1.00 43.34 N ATOM 0 H ASN A 584 3.936 21.641 0.719 1.00 30.12 H new ATOM 0 HA ASN A 584 3.774 19.648 2.775 1.00 32.11 H new ATOM 0 HB2 ASN A 584 2.102 20.284 0.382 1.00 44.15 H new ATOM 0 HB3 ASN A 584 1.896 18.771 1.242 1.00 44.15 H new ATOM 0 HD21 ASN A 584 -0.279 21.549 2.711 1.00 43.34 H new ATOM 0 HD22 ASN A 584 0.023 21.031 1.048 1.00 43.34 H new ATOM 1278 N LYS A 585 5.424 18.098 1.862 1.00 54.42 N ATOM 1279 CA LYS A 585 6.257 17.012 1.467 1.00 41.25 C ATOM 1280 C LYS A 585 5.480 15.735 1.600 1.00 41.40 C ATOM 1281 O LYS A 585 4.645 15.594 2.491 1.00 2.40 O ATOM 1282 CB LYS A 585 7.611 17.065 2.277 1.00 72.11 C ATOM 1283 CG LYS A 585 8.430 15.778 2.416 1.00 33.14 C ATOM 1284 CD LYS A 585 7.896 14.870 3.538 1.00 23.05 C ATOM 1285 CE LYS A 585 8.591 15.036 4.912 1.00 11.00 C ATOM 1286 NZ LYS A 585 8.691 16.426 5.399 1.00 74.32 N ATOM 0 H LYS A 585 5.614 18.433 2.807 1.00 54.42 H new ATOM 0 HA LYS A 585 6.549 17.078 0.419 1.00 41.25 H new ATOM 0 HB2 LYS A 585 8.249 17.815 1.808 1.00 72.11 H new ATOM 0 HB3 LYS A 585 7.383 17.423 3.281 1.00 72.11 H new ATOM 0 HG2 LYS A 585 8.413 15.234 1.471 1.00 33.14 H new ATOM 0 HG3 LYS A 585 9.470 16.031 2.619 1.00 33.14 H new ATOM 0 HD2 LYS A 585 6.831 15.063 3.663 1.00 23.05 H new ATOM 0 HD3 LYS A 585 7.997 13.832 3.222 1.00 23.05 H new ATOM 0 HE2 LYS A 585 8.047 14.447 5.650 1.00 11.00 H new ATOM 0 HE3 LYS A 585 9.595 14.617 4.847 1.00 11.00 H new ATOM 0 HZ1 LYS A 585 8.846 16.423 6.427 1.00 74.32 H new ATOM 0 HZ2 LYS A 585 9.488 16.902 4.930 1.00 74.32 H new ATOM 0 HZ3 LYS A 585 7.810 16.934 5.183 1.00 74.32 H new ATOM 1300 N THR A 586 5.708 14.835 0.704 1.00 23.44 N ATOM 1301 CA THR A 586 4.992 13.624 0.688 1.00 1.00 C ATOM 1302 C THR A 586 5.872 12.499 0.230 1.00 70.40 C ATOM 1303 O THR A 586 6.760 12.682 -0.621 1.00 35.13 O ATOM 1304 CB THR A 586 3.687 13.752 -0.183 1.00 51.11 C ATOM 1305 OG1 THR A 586 2.981 12.518 -0.261 1.00 1.34 O ATOM 1306 CG2 THR A 586 3.979 14.238 -1.582 1.00 32.42 C ATOM 0 H THR A 586 6.402 14.928 -0.038 1.00 23.44 H new ATOM 0 HA THR A 586 4.672 13.394 1.704 1.00 1.00 H new ATOM 0 HB THR A 586 3.065 14.491 0.323 1.00 51.11 H new ATOM 0 HG1 THR A 586 3.161 11.987 0.542 1.00 1.34 H new ATOM 0 HG21 THR A 586 3.048 14.310 -2.144 1.00 32.42 H new ATOM 0 HG22 THR A 586 4.451 15.219 -1.535 1.00 32.42 H new ATOM 0 HG23 THR A 586 4.649 13.536 -2.079 1.00 32.42 H new ATOM 1314 N PHE A 587 5.673 11.389 0.859 1.00 61.23 N ATOM 1315 CA PHE A 587 6.316 10.175 0.532 1.00 33.21 C ATOM 1316 C PHE A 587 5.273 9.156 0.226 1.00 53.45 C ATOM 1317 O PHE A 587 4.178 9.173 0.814 1.00 12.24 O ATOM 1318 CB PHE A 587 7.322 9.705 1.604 1.00 41.20 C ATOM 1319 CG PHE A 587 6.988 10.004 3.052 1.00 31.04 C ATOM 1320 CD1 PHE A 587 6.087 9.243 3.793 1.00 5.41 C ATOM 1321 CD2 PHE A 587 7.645 11.032 3.684 1.00 25.44 C ATOM 1322 CE1 PHE A 587 5.872 9.527 5.142 1.00 20.53 C ATOM 1323 CE2 PHE A 587 7.423 11.312 5.011 1.00 70.32 C ATOM 1324 CZ PHE A 587 6.542 10.556 5.740 1.00 10.42 C ATOM 0 H PHE A 587 5.030 11.307 1.646 1.00 61.23 H new ATOM 0 HA PHE A 587 6.934 10.333 -0.352 1.00 33.21 H new ATOM 0 HB2 PHE A 587 7.444 8.627 1.502 1.00 41.20 H new ATOM 0 HB3 PHE A 587 8.288 10.157 1.381 1.00 41.20 H new ATOM 0 HD1 PHE A 587 5.553 8.431 3.322 1.00 5.41 H new ATOM 0 HD2 PHE A 587 8.350 11.632 3.127 1.00 25.44 H new ATOM 0 HE1 PHE A 587 5.175 8.932 5.714 1.00 20.53 H new ATOM 0 HE2 PHE A 587 7.945 12.132 5.482 1.00 70.32 H new ATOM 0 HZ PHE A 587 6.378 10.774 6.785 1.00 10.42 H new ATOM 1334 N PHE A 588 5.568 8.315 -0.699 1.00 51.40 N ATOM 1335 CA PHE A 588 4.609 7.373 -1.173 1.00 11.14 C ATOM 1336 C PHE A 588 4.943 6.020 -0.611 1.00 75.43 C ATOM 1337 O PHE A 588 6.088 5.586 -0.678 1.00 21.02 O ATOM 1338 CB PHE A 588 4.633 7.340 -2.707 1.00 3.53 C ATOM 1339 CG PHE A 588 4.701 8.716 -3.338 1.00 45.41 C ATOM 1340 CD1 PHE A 588 3.631 9.589 -3.267 1.00 11.42 C ATOM 1341 CD2 PHE A 588 5.851 9.130 -3.991 1.00 32.24 C ATOM 1342 CE1 PHE A 588 3.711 10.849 -3.835 1.00 2.11 C ATOM 1343 CE2 PHE A 588 5.934 10.383 -4.560 1.00 42.01 C ATOM 1344 CZ PHE A 588 4.862 11.245 -4.481 1.00 74.10 C ATOM 0 H PHE A 588 6.480 8.257 -1.151 1.00 51.40 H new ATOM 0 HA PHE A 588 3.608 7.660 -0.851 1.00 11.14 H new ATOM 0 HB2 PHE A 588 5.491 6.754 -3.037 1.00 3.53 H new ATOM 0 HB3 PHE A 588 3.740 6.828 -3.066 1.00 3.53 H new ATOM 0 HD1 PHE A 588 2.725 9.285 -2.764 1.00 11.42 H new ATOM 0 HD2 PHE A 588 6.696 8.460 -4.055 1.00 32.24 H new ATOM 0 HE1 PHE A 588 2.870 11.523 -3.772 1.00 2.11 H new ATOM 0 HE2 PHE A 588 6.838 10.688 -5.067 1.00 42.01 H new ATOM 0 HZ PHE A 588 4.924 12.228 -4.924 1.00 74.10 H new ATOM 1354 N LEU A 589 3.994 5.383 -0.013 1.00 72.03 N ATOM 1355 CA LEU A 589 4.223 4.061 0.500 1.00 14.11 C ATOM 1356 C LEU A 589 3.677 3.098 -0.527 1.00 2.21 C ATOM 1357 O LEU A 589 2.523 3.229 -0.960 1.00 11.25 O ATOM 1358 CB LEU A 589 3.522 3.870 1.867 1.00 64.13 C ATOM 1359 CG LEU A 589 4.057 2.766 2.819 1.00 5.42 C ATOM 1360 CD1 LEU A 589 3.976 1.369 2.239 1.00 62.13 C ATOM 1361 CD2 LEU A 589 5.454 3.084 3.252 1.00 3.44 C ATOM 0 H LEU A 589 3.053 5.748 0.136 1.00 72.03 H new ATOM 0 HA LEU A 589 5.286 3.887 0.668 1.00 14.11 H new ATOM 0 HB2 LEU A 589 3.568 4.820 2.400 1.00 64.13 H new ATOM 0 HB3 LEU A 589 2.469 3.662 1.675 1.00 64.13 H new ATOM 0 HG LEU A 589 3.399 2.765 3.688 1.00 5.42 H new ATOM 0 HD11 LEU A 589 4.367 0.652 2.961 1.00 62.13 H new ATOM 0 HD12 LEU A 589 2.937 1.128 2.015 1.00 62.13 H new ATOM 0 HD13 LEU A 589 4.565 1.320 1.323 1.00 62.13 H new ATOM 0 HD21 LEU A 589 5.815 2.301 3.919 1.00 3.44 H new ATOM 0 HD22 LEU A 589 6.102 3.143 2.377 1.00 3.44 H new ATOM 0 HD23 LEU A 589 5.464 4.040 3.776 1.00 3.44 H new ATOM 1373 N GLU A 590 4.489 2.185 -0.951 1.00 72.42 N ATOM 1374 CA GLU A 590 4.068 1.217 -1.905 1.00 25.23 C ATOM 1375 C GLU A 590 4.392 -0.167 -1.411 1.00 72.53 C ATOM 1376 O GLU A 590 5.494 -0.416 -0.900 1.00 11.31 O ATOM 1377 CB GLU A 590 4.754 1.448 -3.254 1.00 43.53 C ATOM 1378 CG GLU A 590 4.313 0.479 -4.338 1.00 32.41 C ATOM 1379 CD GLU A 590 5.142 0.581 -5.580 1.00 63.45 C ATOM 1380 OE1 GLU A 590 4.830 1.414 -6.457 1.00 75.40 O ATOM 1381 OE2 GLU A 590 6.118 -0.188 -5.723 1.00 13.14 O ATOM 0 H GLU A 590 5.458 2.091 -0.646 1.00 72.42 H new ATOM 0 HA GLU A 590 2.991 1.316 -2.037 1.00 25.23 H new ATOM 0 HB2 GLU A 590 4.551 2.466 -3.585 1.00 43.53 H new ATOM 0 HB3 GLU A 590 5.833 1.365 -3.122 1.00 43.53 H new ATOM 0 HG2 GLU A 590 4.368 -0.539 -3.953 1.00 32.41 H new ATOM 0 HG3 GLU A 590 3.269 0.670 -4.587 1.00 32.41 H new ATOM 1388 N ILE A 591 3.423 -1.028 -1.511 1.00 63.40 N ATOM 1389 CA ILE A 591 3.611 -2.423 -1.283 1.00 25.15 C ATOM 1390 C ILE A 591 3.798 -3.056 -2.651 1.00 33.13 C ATOM 1391 O ILE A 591 3.015 -2.786 -3.581 1.00 31.41 O ATOM 1392 CB ILE A 591 2.428 -3.069 -0.500 1.00 64.04 C ATOM 1393 CG1 ILE A 591 1.068 -2.734 -1.142 1.00 63.54 C ATOM 1394 CG2 ILE A 591 2.464 -2.650 0.969 1.00 24.24 C ATOM 1395 CD1 ILE A 591 -0.127 -3.334 -0.426 1.00 44.32 C ATOM 0 H ILE A 591 2.467 -0.773 -1.757 1.00 63.40 H new ATOM 0 HA ILE A 591 4.482 -2.590 -0.649 1.00 25.15 H new ATOM 0 HB ILE A 591 2.548 -4.151 -0.551 1.00 64.04 H new ATOM 0 HG12 ILE A 591 0.951 -1.651 -1.173 1.00 63.54 H new ATOM 0 HG13 ILE A 591 1.071 -3.084 -2.174 1.00 63.54 H new ATOM 0 HG21 ILE A 591 1.631 -3.111 1.499 1.00 24.24 H new ATOM 0 HG22 ILE A 591 3.403 -2.975 1.417 1.00 24.24 H new ATOM 0 HG23 ILE A 591 2.384 -1.565 1.040 1.00 24.24 H new ATOM 0 HD11 ILE A 591 -1.043 -3.048 -0.944 1.00 44.32 H new ATOM 0 HD12 ILE A 591 -0.038 -4.420 -0.418 1.00 44.32 H new ATOM 0 HD13 ILE A 591 -0.160 -2.965 0.599 1.00 44.32 H new ATOM 1407 N GLY A 592 4.844 -3.820 -2.791 1.00 2.50 N ATOM 1408 CA GLY A 592 5.218 -4.350 -4.071 1.00 42.22 C ATOM 1409 C GLY A 592 4.553 -5.651 -4.416 1.00 34.12 C ATOM 1410 O GLY A 592 3.364 -5.848 -4.149 1.00 12.13 O ATOM 0 H GLY A 592 5.459 -4.092 -2.024 1.00 2.50 H new ATOM 0 HA2 GLY A 592 4.977 -3.616 -4.840 1.00 42.22 H new ATOM 0 HA3 GLY A 592 6.299 -4.490 -4.092 1.00 42.22 H new ATOM 1414 N GLU A 593 5.325 -6.529 -5.010 1.00 23.42 N ATOM 1415 CA GLU A 593 4.862 -7.822 -5.443 1.00 1.20 C ATOM 1416 C GLU A 593 4.817 -8.768 -4.247 1.00 71.53 C ATOM 1417 O GLU A 593 5.869 -9.120 -3.685 1.00 52.24 O ATOM 1418 CB GLU A 593 5.817 -8.379 -6.498 1.00 13.32 C ATOM 1419 CG GLU A 593 5.423 -9.732 -7.059 1.00 10.15 C ATOM 1420 CD GLU A 593 6.621 -10.458 -7.660 1.00 10.34 C ATOM 1421 OE1 GLU A 593 7.066 -10.123 -8.772 1.00 70.34 O ATOM 1422 OE2 GLU A 593 7.203 -11.323 -6.973 1.00 24.21 O ATOM 0 H GLU A 593 6.311 -6.360 -5.209 1.00 23.42 H new ATOM 0 HA GLU A 593 3.864 -7.728 -5.872 1.00 1.20 H new ATOM 0 HB2 GLU A 593 5.885 -7.666 -7.320 1.00 13.32 H new ATOM 0 HB3 GLU A 593 6.813 -8.458 -6.062 1.00 13.32 H new ATOM 0 HG2 GLU A 593 4.986 -10.342 -6.268 1.00 10.15 H new ATOM 0 HG3 GLU A 593 4.655 -9.601 -7.822 1.00 10.15 H new ATOM 1429 N PRO A 594 3.634 -9.179 -3.828 1.00 62.24 N ATOM 1430 CA PRO A 594 3.488 -10.077 -2.719 1.00 42.22 C ATOM 1431 C PRO A 594 3.783 -11.511 -3.139 1.00 21.31 C ATOM 1432 O PRO A 594 3.555 -11.912 -4.283 1.00 2.31 O ATOM 1433 CB PRO A 594 2.034 -9.906 -2.316 1.00 11.42 C ATOM 1434 CG PRO A 594 1.344 -9.559 -3.576 1.00 73.23 C ATOM 1435 CD PRO A 594 2.336 -8.816 -4.422 1.00 64.31 C ATOM 0 HA PRO A 594 4.178 -9.866 -1.902 1.00 42.22 H new ATOM 0 HB2 PRO A 594 1.632 -10.821 -1.881 1.00 11.42 H new ATOM 0 HB3 PRO A 594 1.918 -9.120 -1.570 1.00 11.42 H new ATOM 0 HG2 PRO A 594 0.996 -10.457 -4.087 1.00 73.23 H new ATOM 0 HG3 PRO A 594 0.466 -8.944 -3.379 1.00 73.23 H new ATOM 0 HD2 PRO A 594 2.275 -9.116 -5.468 1.00 64.31 H new ATOM 0 HD3 PRO A 594 2.166 -7.740 -4.388 1.00 64.31 H new ATOM 1443 N ARG A 595 4.270 -12.271 -2.231 1.00 24.23 N ATOM 1444 CA ARG A 595 4.670 -13.604 -2.516 1.00 54.10 C ATOM 1445 C ARG A 595 4.063 -14.549 -1.537 1.00 21.41 C ATOM 1446 O ARG A 595 4.036 -14.285 -0.328 1.00 32.35 O ATOM 1447 CB ARG A 595 6.199 -13.711 -2.560 1.00 40.53 C ATOM 1448 CG ARG A 595 6.900 -13.050 -1.386 1.00 31.23 C ATOM 1449 CD ARG A 595 8.396 -13.040 -1.581 1.00 61.22 C ATOM 1450 NE ARG A 595 9.081 -12.156 -0.626 1.00 23.23 N ATOM 1451 CZ ARG A 595 9.788 -11.065 -0.983 1.00 14.34 C ATOM 1452 NH1 ARG A 595 9.728 -10.617 -2.227 1.00 14.51 N ATOM 1453 NH2 ARG A 595 10.504 -10.400 -0.086 1.00 2.12 N ATOM 0 H ARG A 595 4.405 -11.987 -1.261 1.00 24.23 H new ATOM 0 HA ARG A 595 4.303 -13.883 -3.504 1.00 54.10 H new ATOM 0 HB2 ARG A 595 6.478 -14.764 -2.590 1.00 40.53 H new ATOM 0 HB3 ARG A 595 6.558 -13.259 -3.485 1.00 40.53 H new ATOM 0 HG2 ARG A 595 6.538 -12.028 -1.271 1.00 31.23 H new ATOM 0 HG3 ARG A 595 6.654 -13.580 -0.466 1.00 31.23 H new ATOM 0 HD2 ARG A 595 8.780 -14.054 -1.473 1.00 61.22 H new ATOM 0 HD3 ARG A 595 8.625 -12.719 -2.597 1.00 61.22 H new ATOM 0 HE ARG A 595 9.017 -12.382 0.367 1.00 23.23 H new ATOM 0 HH11 ARG A 595 9.147 -11.097 -2.914 1.00 14.51 H new ATOM 0 HH12 ARG A 595 10.262 -9.792 -2.498 1.00 14.51 H new ATOM 0 HH21 ARG A 595 10.523 -10.713 0.885 1.00 2.12 H new ATOM 0 HH22 ARG A 595 11.035 -9.576 -0.367 1.00 2.12 H new ATOM 1467 N LEU A 596 3.516 -15.603 -2.052 1.00 11.34 N ATOM 1468 CA LEU A 596 2.923 -16.604 -1.246 1.00 11.44 C ATOM 1469 C LEU A 596 4.085 -17.407 -0.673 1.00 24.51 C ATOM 1470 O LEU A 596 4.950 -17.858 -1.417 1.00 3.32 O ATOM 1471 CB LEU A 596 2.037 -17.511 -2.122 1.00 3.53 C ATOM 1472 CG LEU A 596 0.687 -18.004 -1.540 1.00 50.45 C ATOM 1473 CD1 LEU A 596 0.776 -18.406 -0.087 1.00 64.15 C ATOM 1474 CD2 LEU A 596 -0.424 -17.002 -1.776 1.00 42.35 C ATOM 0 H LEU A 596 3.471 -15.789 -3.054 1.00 11.34 H new ATOM 0 HA LEU A 596 2.297 -16.183 -0.459 1.00 11.44 H new ATOM 0 HB2 LEU A 596 1.824 -16.975 -3.047 1.00 3.53 H new ATOM 0 HB3 LEU A 596 2.624 -18.389 -2.391 1.00 3.53 H new ATOM 0 HG LEU A 596 0.437 -18.912 -2.089 1.00 50.45 H new ATOM 0 HD11 LEU A 596 -0.202 -18.741 0.258 1.00 64.15 H new ATOM 0 HD12 LEU A 596 1.497 -19.216 0.023 1.00 64.15 H new ATOM 0 HD13 LEU A 596 1.098 -17.551 0.508 1.00 64.15 H new ATOM 0 HD21 LEU A 596 -1.354 -17.383 -1.354 1.00 42.35 H new ATOM 0 HD22 LEU A 596 -0.169 -16.057 -1.297 1.00 42.35 H new ATOM 0 HD23 LEU A 596 -0.550 -16.844 -2.847 1.00 42.35 H new ATOM 1486 N VAL A 597 4.126 -17.536 0.620 1.00 0.24 N ATOM 1487 CA VAL A 597 5.192 -18.276 1.283 1.00 13.55 C ATOM 1488 C VAL A 597 5.005 -19.761 0.997 1.00 51.34 C ATOM 1489 O VAL A 597 5.975 -20.531 0.864 1.00 24.40 O ATOM 1490 CB VAL A 597 5.180 -18.009 2.818 1.00 4.24 C ATOM 1491 CG1 VAL A 597 6.261 -18.797 3.530 1.00 3.33 C ATOM 1492 CG2 VAL A 597 5.356 -16.526 3.097 1.00 5.02 C ATOM 0 H VAL A 597 3.432 -17.139 1.254 1.00 0.24 H new ATOM 0 HA VAL A 597 6.157 -17.945 0.899 1.00 13.55 H new ATOM 0 HB VAL A 597 4.214 -18.338 3.201 1.00 4.24 H new ATOM 0 HG11 VAL A 597 6.222 -18.585 4.598 1.00 3.33 H new ATOM 0 HG12 VAL A 597 6.103 -19.863 3.365 1.00 3.33 H new ATOM 0 HG13 VAL A 597 7.237 -18.511 3.139 1.00 3.33 H new ATOM 0 HG21 VAL A 597 5.346 -16.355 4.173 1.00 5.02 H new ATOM 0 HG22 VAL A 597 6.307 -16.189 2.685 1.00 5.02 H new ATOM 0 HG23 VAL A 597 4.542 -15.969 2.633 1.00 5.02 H new ATOM 2055 N ARG A 633 -0.418 -16.807 -7.287 1.00 64.02 N ATOM 2056 CA ARG A 633 0.378 -15.828 -6.607 1.00 4.14 C ATOM 2057 C ARG A 633 -0.508 -14.705 -6.190 1.00 14.14 C ATOM 2058 O ARG A 633 -1.432 -14.379 -6.888 1.00 51.51 O ATOM 2059 CB ARG A 633 1.459 -15.244 -7.500 1.00 23.31 C ATOM 2060 CG ARG A 633 2.654 -16.111 -7.729 1.00 72.03 C ATOM 2061 CD ARG A 633 3.678 -15.332 -8.508 1.00 2.34 C ATOM 2062 NE ARG A 633 4.970 -15.999 -8.564 1.00 15.43 N ATOM 2063 CZ ARG A 633 6.123 -15.383 -8.829 1.00 63.52 C ATOM 2064 NH1 ARG A 633 6.145 -14.059 -8.965 1.00 22.42 N ATOM 2065 NH2 ARG A 633 7.252 -16.090 -8.900 1.00 24.22 N ATOM 0 HA ARG A 633 0.853 -16.321 -5.759 1.00 4.14 H new ATOM 0 HB2 ARG A 633 1.016 -15.007 -8.467 1.00 23.31 H new ATOM 0 HB3 ARG A 633 1.795 -14.303 -7.064 1.00 23.31 H new ATOM 0 HG2 ARG A 633 3.072 -16.436 -6.776 1.00 72.03 H new ATOM 0 HG3 ARG A 633 2.369 -17.010 -8.275 1.00 72.03 H new ATOM 0 HD2 ARG A 633 3.312 -15.172 -9.522 1.00 2.34 H new ATOM 0 HD3 ARG A 633 3.801 -14.348 -8.055 1.00 2.34 H new ATOM 0 HE ARG A 633 4.996 -17.004 -8.389 1.00 15.43 H new ATOM 0 HH11 ARG A 633 5.284 -13.522 -8.867 1.00 22.42 H new ATOM 0 HH12 ARG A 633 7.023 -13.582 -9.168 1.00 22.42 H new ATOM 0 HH21 ARG A 633 7.232 -17.099 -8.752 1.00 24.22 H new ATOM 0 HH22 ARG A 633 8.135 -15.622 -9.103 1.00 24.22 H new ATOM 2079 N PRO A 634 -0.269 -14.110 -5.050 1.00 64.22 N ATOM 2080 CA PRO A 634 -1.037 -12.973 -4.632 1.00 61.44 C ATOM 2081 C PRO A 634 -0.595 -11.726 -5.399 1.00 4.43 C ATOM 2082 O PRO A 634 0.545 -11.647 -5.852 1.00 43.32 O ATOM 2083 CB PRO A 634 -0.732 -12.867 -3.153 1.00 45.14 C ATOM 2084 CG PRO A 634 0.613 -13.489 -2.983 1.00 34.13 C ATOM 2085 CD PRO A 634 0.774 -14.479 -4.091 1.00 22.44 C ATOM 0 HA PRO A 634 -2.106 -13.070 -4.824 1.00 61.44 H new ATOM 0 HB2 PRO A 634 -0.729 -11.827 -2.826 1.00 45.14 H new ATOM 0 HB3 PRO A 634 -1.484 -13.386 -2.558 1.00 45.14 H new ATOM 0 HG2 PRO A 634 1.397 -12.733 -3.024 1.00 34.13 H new ATOM 0 HG3 PRO A 634 0.693 -13.979 -2.012 1.00 34.13 H new ATOM 0 HD2 PRO A 634 1.766 -14.420 -4.538 1.00 22.44 H new ATOM 0 HD3 PRO A 634 0.645 -15.501 -3.735 1.00 22.44 H new ATOM 2093 N ILE A 635 -1.483 -10.771 -5.551 1.00 22.53 N ATOM 2094 CA ILE A 635 -1.200 -9.590 -6.336 1.00 74.50 C ATOM 2095 C ILE A 635 -1.728 -8.316 -5.694 1.00 13.05 C ATOM 2096 O ILE A 635 -2.228 -8.323 -4.556 1.00 10.45 O ATOM 2097 CB ILE A 635 -1.692 -9.724 -7.825 1.00 44.33 C ATOM 2098 CG1 ILE A 635 -3.079 -10.425 -7.956 1.00 64.23 C ATOM 2099 CG2 ILE A 635 -0.654 -10.425 -8.674 1.00 62.51 C ATOM 2100 CD1 ILE A 635 -4.263 -9.667 -7.386 1.00 65.12 C ATOM 0 H ILE A 635 -2.415 -10.789 -5.138 1.00 22.53 H new ATOM 0 HA ILE A 635 -0.113 -9.508 -6.360 1.00 74.50 H new ATOM 0 HB ILE A 635 -1.826 -8.707 -8.195 1.00 44.33 H new ATOM 0 HG12 ILE A 635 -3.269 -10.616 -9.012 1.00 64.23 H new ATOM 0 HG13 ILE A 635 -3.022 -11.395 -7.462 1.00 64.23 H new ATOM 0 HG21 ILE A 635 -1.016 -10.506 -9.699 1.00 62.51 H new ATOM 0 HG22 ILE A 635 0.273 -9.852 -8.661 1.00 62.51 H new ATOM 0 HG23 ILE A 635 -0.470 -11.422 -8.274 1.00 62.51 H new ATOM 0 HD11 ILE A 635 -5.173 -10.249 -7.533 1.00 65.12 H new ATOM 0 HD12 ILE A 635 -4.108 -9.499 -6.320 1.00 65.12 H new ATOM 0 HD13 ILE A 635 -4.360 -8.708 -7.894 1.00 65.12 H new ATOM 2112 N LEU A 636 -1.586 -7.225 -6.408 1.00 62.14 N ATOM 2113 CA LEU A 636 -2.055 -5.952 -5.942 1.00 13.15 C ATOM 2114 C LEU A 636 -3.561 -5.852 -6.175 1.00 31.41 C ATOM 2115 O LEU A 636 -4.094 -6.420 -7.134 1.00 3.31 O ATOM 2116 CB LEU A 636 -1.250 -4.765 -6.597 1.00 74.31 C ATOM 2117 CG LEU A 636 -1.502 -4.353 -8.087 1.00 3.55 C ATOM 2118 CD1 LEU A 636 -1.625 -5.533 -9.032 1.00 20.34 C ATOM 2119 CD2 LEU A 636 -2.672 -3.388 -8.225 1.00 62.25 C ATOM 0 H LEU A 636 -1.142 -7.200 -7.326 1.00 62.14 H new ATOM 0 HA LEU A 636 -1.877 -5.869 -4.870 1.00 13.15 H new ATOM 0 HB2 LEU A 636 -1.428 -3.881 -5.985 1.00 74.31 H new ATOM 0 HB3 LEU A 636 -0.191 -5.007 -6.506 1.00 74.31 H new ATOM 0 HG LEU A 636 -0.603 -3.821 -8.397 1.00 3.55 H new ATOM 0 HD11 LEU A 636 -1.799 -5.171 -10.045 1.00 20.34 H new ATOM 0 HD12 LEU A 636 -0.704 -6.116 -9.008 1.00 20.34 H new ATOM 0 HD13 LEU A 636 -2.461 -6.161 -8.723 1.00 20.34 H new ATOM 0 HD21 LEU A 636 -2.809 -3.130 -9.275 1.00 62.25 H new ATOM 0 HD22 LEU A 636 -3.579 -3.859 -7.846 1.00 62.25 H new ATOM 0 HD23 LEU A 636 -2.467 -2.483 -7.653 1.00 62.25 H new ATOM 2131 N GLY A 637 -4.229 -5.186 -5.294 1.00 1.50 N ATOM 2132 CA GLY A 637 -5.655 -5.037 -5.390 1.00 54.13 C ATOM 2133 C GLY A 637 -6.053 -3.909 -6.289 1.00 11.00 C ATOM 2134 O GLY A 637 -5.910 -3.992 -7.509 1.00 63.40 O ATOM 0 H GLY A 637 -3.809 -4.727 -4.485 1.00 1.50 H new ATOM 0 HA2 GLY A 637 -6.090 -5.965 -5.762 1.00 54.13 H new ATOM 0 HA3 GLY A 637 -6.067 -4.868 -4.395 1.00 54.13 H new ATOM 2138 N GLU A 638 -6.524 -2.854 -5.705 1.00 15.24 N ATOM 2139 CA GLU A 638 -6.977 -1.737 -6.466 1.00 1.02 C ATOM 2140 C GLU A 638 -5.865 -0.713 -6.604 1.00 23.41 C ATOM 2141 O GLU A 638 -5.327 -0.496 -7.692 1.00 54.12 O ATOM 2142 CB GLU A 638 -8.208 -1.135 -5.795 1.00 12.01 C ATOM 2143 CG GLU A 638 -8.856 0.007 -6.557 1.00 41.12 C ATOM 2144 CD GLU A 638 -9.319 -0.424 -7.920 1.00 12.44 C ATOM 2145 OE1 GLU A 638 -10.354 -1.140 -8.015 1.00 20.04 O ATOM 2146 OE2 GLU A 638 -8.649 -0.094 -8.918 1.00 22.34 O ATOM 0 H GLU A 638 -6.605 -2.744 -4.694 1.00 15.24 H new ATOM 0 HA GLU A 638 -7.254 -2.061 -7.469 1.00 1.02 H new ATOM 0 HB2 GLU A 638 -8.948 -1.923 -5.651 1.00 12.01 H new ATOM 0 HB3 GLU A 638 -7.926 -0.778 -4.804 1.00 12.01 H new ATOM 0 HG2 GLU A 638 -9.704 0.388 -5.989 1.00 41.12 H new ATOM 0 HG3 GLU A 638 -8.145 0.827 -6.657 1.00 41.12 H new ATOM 2153 N HIS A 639 -5.480 -0.129 -5.509 1.00 22.14 N ATOM 2154 CA HIS A 639 -4.473 0.883 -5.538 1.00 22.11 C ATOM 2155 C HIS A 639 -3.410 0.614 -4.513 1.00 44.12 C ATOM 2156 O HIS A 639 -3.669 0.583 -3.299 1.00 10.42 O ATOM 2157 CB HIS A 639 -5.068 2.315 -5.397 1.00 64.32 C ATOM 2158 CG HIS A 639 -5.933 2.553 -4.177 1.00 11.55 C ATOM 2159 ND1 HIS A 639 -5.477 3.100 -2.995 1.00 4.01 N ATOM 2160 CD2 HIS A 639 -7.254 2.320 -3.990 1.00 44.24 C ATOM 2161 CE1 HIS A 639 -6.506 3.175 -2.154 1.00 54.12 C ATOM 2162 NE2 HIS A 639 -7.612 2.715 -2.707 1.00 22.22 N ATOM 0 H HIS A 639 -5.851 -0.339 -4.582 1.00 22.14 H new ATOM 0 HA HIS A 639 -4.004 0.844 -6.521 1.00 22.11 H new ATOM 0 HB2 HIS A 639 -4.245 3.030 -5.380 1.00 64.32 H new ATOM 0 HB3 HIS A 639 -5.660 2.531 -6.286 1.00 64.32 H new ATOM 0 HD2 HIS A 639 -7.924 1.894 -4.723 1.00 44.24 H new ATOM 0 HE1 HIS A 639 -6.444 3.563 -1.148 1.00 54.12 H new ATOM 0 HE2 HIS A 639 -8.537 2.661 -2.281 1.00 22.22 H new ATOM 2170 N THR A 640 -2.240 0.343 -4.980 1.00 51.04 N ATOM 2171 CA THR A 640 -1.148 0.208 -4.120 1.00 61.30 C ATOM 2172 C THR A 640 -0.306 1.462 -4.253 1.00 74.41 C ATOM 2173 O THR A 640 0.593 1.563 -5.094 1.00 41.52 O ATOM 2174 CB THR A 640 -0.372 -1.077 -4.453 1.00 75.12 C ATOM 2175 OG1 THR A 640 -0.195 -1.164 -5.880 1.00 61.42 O ATOM 2176 CG2 THR A 640 -1.157 -2.291 -3.982 1.00 45.42 C ATOM 0 H THR A 640 -2.028 0.212 -5.969 1.00 51.04 H new ATOM 0 HA THR A 640 -1.462 0.109 -3.081 1.00 61.30 H new ATOM 0 HB THR A 640 0.596 -1.052 -3.953 1.00 75.12 H new ATOM 0 HG1 THR A 640 0.181 -0.323 -6.215 1.00 61.42 H new ATOM 0 HG21 THR A 640 -0.602 -3.198 -4.221 1.00 45.42 H new ATOM 0 HG22 THR A 640 -1.308 -2.231 -2.904 1.00 45.42 H new ATOM 0 HG23 THR A 640 -2.125 -2.315 -4.483 1.00 45.42 H new ATOM 2184 N LYS A 641 -0.640 2.418 -3.427 1.00 2.20 N ATOM 2185 CA LYS A 641 -0.068 3.728 -3.445 1.00 0.02 C ATOM 2186 C LYS A 641 -0.688 4.446 -2.271 1.00 11.54 C ATOM 2187 O LYS A 641 -1.909 4.507 -2.151 1.00 72.01 O ATOM 2188 CB LYS A 641 -0.469 4.451 -4.767 1.00 32.23 C ATOM 2189 CG LYS A 641 0.315 5.727 -5.159 1.00 63.33 C ATOM 2190 CD LYS A 641 0.247 6.845 -4.135 1.00 52.12 C ATOM 2191 CE LYS A 641 0.753 8.167 -4.711 1.00 11.12 C ATOM 2192 NZ LYS A 641 -0.153 8.723 -5.760 1.00 65.14 N ATOM 0 H LYS A 641 -1.344 2.296 -2.699 1.00 2.20 H new ATOM 0 HA LYS A 641 1.020 3.705 -3.386 1.00 0.02 H new ATOM 0 HB2 LYS A 641 -0.372 3.735 -5.583 1.00 32.23 H new ATOM 0 HB3 LYS A 641 -1.524 4.715 -4.698 1.00 32.23 H new ATOM 0 HG2 LYS A 641 1.360 5.461 -5.320 1.00 63.33 H new ATOM 0 HG3 LYS A 641 -0.070 6.097 -6.109 1.00 63.33 H new ATOM 0 HD2 LYS A 641 -0.782 6.966 -3.795 1.00 52.12 H new ATOM 0 HD3 LYS A 641 0.842 6.576 -3.262 1.00 52.12 H new ATOM 0 HE2 LYS A 641 0.858 8.893 -3.905 1.00 11.12 H new ATOM 0 HE3 LYS A 641 1.745 8.017 -5.136 1.00 11.12 H new ATOM 0 HZ1 LYS A 641 0.340 8.732 -6.676 1.00 65.14 H new ATOM 0 HZ2 LYS A 641 -1.005 8.131 -5.832 1.00 65.14 H new ATOM 0 HZ3 LYS A 641 -0.426 9.693 -5.504 1.00 65.14 H new ATOM 2206 N LEU A 642 0.130 4.928 -1.421 1.00 44.22 N ATOM 2207 CA LEU A 642 -0.281 5.679 -0.281 1.00 63.44 C ATOM 2208 C LEU A 642 0.455 6.978 -0.326 1.00 23.21 C ATOM 2209 O LEU A 642 1.670 7.010 -0.132 1.00 41.43 O ATOM 2210 CB LEU A 642 0.128 4.951 0.968 1.00 23.34 C ATOM 2211 CG LEU A 642 -0.180 5.669 2.255 1.00 5.50 C ATOM 2212 CD1 LEU A 642 -1.663 5.720 2.516 1.00 30.32 C ATOM 2213 CD2 LEU A 642 0.558 5.046 3.389 1.00 71.05 C ATOM 0 H LEU A 642 1.141 4.813 -1.492 1.00 44.22 H new ATOM 0 HA LEU A 642 -1.361 5.824 -0.283 1.00 63.44 H new ATOM 0 HB2 LEU A 642 -0.368 3.981 0.984 1.00 23.34 H new ATOM 0 HB3 LEU A 642 1.200 4.760 0.924 1.00 23.34 H new ATOM 0 HG LEU A 642 0.160 6.700 2.160 1.00 5.50 H new ATOM 0 HD11 LEU A 642 -1.850 6.245 3.453 1.00 30.32 H new ATOM 0 HD12 LEU A 642 -2.158 6.246 1.700 1.00 30.32 H new ATOM 0 HD13 LEU A 642 -2.056 4.705 2.584 1.00 30.32 H new ATOM 0 HD21 LEU A 642 0.324 5.577 4.311 1.00 71.05 H new ATOM 0 HD22 LEU A 642 0.261 4.002 3.486 1.00 71.05 H new ATOM 0 HD23 LEU A 642 1.630 5.102 3.200 1.00 71.05 H new ATOM 2225 N GLU A 643 -0.229 8.013 -0.648 1.00 42.33 N ATOM 2226 CA GLU A 643 0.373 9.303 -0.722 1.00 53.43 C ATOM 2227 C GLU A 643 0.285 9.942 0.652 1.00 32.21 C ATOM 2228 O GLU A 643 -0.780 10.370 1.075 1.00 43.14 O ATOM 2229 CB GLU A 643 -0.369 10.122 -1.760 1.00 32.44 C ATOM 2230 CG GLU A 643 0.359 11.339 -2.252 1.00 34.10 C ATOM 2231 CD GLU A 643 -0.394 12.019 -3.357 1.00 11.43 C ATOM 2232 OE1 GLU A 643 -0.538 11.423 -4.459 1.00 24.02 O ATOM 2233 OE2 GLU A 643 -0.873 13.146 -3.164 1.00 43.51 O ATOM 0 H GLU A 643 -1.225 7.996 -0.869 1.00 42.33 H new ATOM 0 HA GLU A 643 1.421 9.242 -1.016 1.00 53.43 H new ATOM 0 HB2 GLU A 643 -0.592 9.482 -2.613 1.00 32.44 H new ATOM 0 HB3 GLU A 643 -1.324 10.435 -1.338 1.00 32.44 H new ATOM 0 HG2 GLU A 643 0.505 12.036 -1.427 1.00 34.10 H new ATOM 0 HG3 GLU A 643 1.349 11.054 -2.607 1.00 34.10 H new ATOM 2240 N VAL A 644 1.361 9.905 1.382 1.00 2.33 N ATOM 2241 CA VAL A 644 1.379 10.470 2.705 1.00 44.42 C ATOM 2242 C VAL A 644 1.815 11.895 2.617 1.00 10.33 C ATOM 2243 O VAL A 644 2.979 12.147 2.354 1.00 72.24 O ATOM 2244 CB VAL A 644 2.380 9.738 3.614 1.00 50.34 C ATOM 2245 CG1 VAL A 644 2.264 10.223 5.053 1.00 73.41 C ATOM 2246 CG2 VAL A 644 2.217 8.239 3.512 1.00 71.51 C ATOM 0 H VAL A 644 2.243 9.488 1.084 1.00 2.33 H new ATOM 0 HA VAL A 644 0.376 10.378 3.122 1.00 44.42 H new ATOM 0 HB VAL A 644 3.386 9.976 3.269 1.00 50.34 H new ATOM 0 HG11 VAL A 644 2.982 9.690 5.676 1.00 73.41 H new ATOM 0 HG12 VAL A 644 2.471 11.292 5.094 1.00 73.41 H new ATOM 0 HG13 VAL A 644 1.255 10.034 5.420 1.00 73.41 H new ATOM 0 HG21 VAL A 644 2.938 7.749 4.166 1.00 71.51 H new ATOM 0 HG22 VAL A 644 1.207 7.961 3.814 1.00 71.51 H new ATOM 0 HG23 VAL A 644 2.388 7.924 2.483 1.00 71.51 H new ATOM 2256 N ILE A 645 0.910 12.815 2.768 1.00 74.03 N ATOM 2257 CA ILE A 645 1.280 14.204 2.780 1.00 41.22 C ATOM 2258 C ILE A 645 1.524 14.623 4.218 1.00 34.01 C ATOM 2259 O ILE A 645 0.669 14.412 5.096 1.00 42.50 O ATOM 2260 CB ILE A 645 0.230 15.155 2.108 1.00 10.33 C ATOM 2261 CG1 ILE A 645 0.039 14.839 0.609 1.00 21.21 C ATOM 2262 CG2 ILE A 645 0.626 16.612 2.281 1.00 54.20 C ATOM 2263 CD1 ILE A 645 -0.886 13.687 0.322 1.00 64.35 C ATOM 0 H ILE A 645 -0.087 12.633 2.884 1.00 74.03 H new ATOM 0 HA ILE A 645 2.183 14.303 2.178 1.00 41.22 H new ATOM 0 HB ILE A 645 -0.720 14.981 2.613 1.00 10.33 H new ATOM 0 HG12 ILE A 645 -0.345 15.729 0.110 1.00 21.21 H new ATOM 0 HG13 ILE A 645 1.013 14.623 0.170 1.00 21.21 H new ATOM 0 HG21 ILE A 645 -0.119 17.250 1.806 1.00 54.20 H new ATOM 0 HG22 ILE A 645 0.683 16.850 3.343 1.00 54.20 H new ATOM 0 HG23 ILE A 645 1.598 16.782 1.818 1.00 54.20 H new ATOM 0 HD11 ILE A 645 -0.959 13.539 -0.755 1.00 64.35 H new ATOM 0 HD12 ILE A 645 -0.495 12.782 0.787 1.00 64.35 H new ATOM 0 HD13 ILE A 645 -1.875 13.905 0.726 1.00 64.35 H new ATOM 2275 N ILE A 646 2.688 15.156 4.462 1.00 23.44 N ATOM 2276 CA ILE A 646 3.085 15.568 5.776 1.00 71.34 C ATOM 2277 C ILE A 646 3.040 17.054 5.784 1.00 30.43 C ATOM 2278 O ILE A 646 3.842 17.723 5.117 1.00 53.23 O ATOM 2279 CB ILE A 646 4.541 15.091 6.190 1.00 61.11 C ATOM 2280 CG1 ILE A 646 4.753 13.590 5.964 1.00 71.24 C ATOM 2281 CG2 ILE A 646 4.821 15.395 7.665 1.00 21.11 C ATOM 2282 CD1 ILE A 646 4.836 13.182 4.520 1.00 63.22 C ATOM 0 H ILE A 646 3.395 15.318 3.745 1.00 23.44 H new ATOM 0 HA ILE A 646 2.408 15.111 6.498 1.00 71.34 H new ATOM 0 HB ILE A 646 5.228 15.645 5.551 1.00 61.11 H new ATOM 0 HG12 ILE A 646 5.671 13.286 6.468 1.00 71.24 H new ATOM 0 HG13 ILE A 646 3.935 13.045 6.436 1.00 71.24 H new ATOM 0 HG21 ILE A 646 5.825 15.058 7.922 1.00 21.11 H new ATOM 0 HG22 ILE A 646 4.744 16.469 7.836 1.00 21.11 H new ATOM 0 HG23 ILE A 646 4.093 14.875 8.288 1.00 21.11 H new ATOM 0 HD11 ILE A 646 4.986 12.104 4.454 1.00 63.22 H new ATOM 0 HD12 ILE A 646 3.910 13.451 4.012 1.00 63.22 H new ATOM 0 HD13 ILE A 646 5.672 13.695 4.045 1.00 63.22 H new ATOM 2294 N GLU A 647 2.084 17.552 6.454 1.00 71.20 N ATOM 2295 CA GLU A 647 1.878 18.945 6.562 1.00 21.41 C ATOM 2296 C GLU A 647 2.328 19.420 7.922 1.00 35.45 C ATOM 2297 O GLU A 647 2.222 18.661 8.923 1.00 64.20 O ATOM 2298 CB GLU A 647 0.396 19.273 6.293 1.00 1.43 C ATOM 2299 CG GLU A 647 -0.588 18.337 6.998 1.00 44.15 C ATOM 2300 CD GLU A 647 -2.027 18.702 6.762 1.00 74.13 C ATOM 2301 OE1 GLU A 647 -2.609 18.293 5.733 1.00 23.42 O ATOM 2302 OE2 GLU A 647 -2.620 19.413 7.614 1.00 23.44 O ATOM 0 H GLU A 647 1.399 16.991 6.960 1.00 71.20 H new ATOM 0 HA GLU A 647 2.472 19.472 5.815 1.00 21.41 H new ATOM 0 HB2 GLU A 647 0.198 20.297 6.610 1.00 1.43 H new ATOM 0 HB3 GLU A 647 0.215 19.231 5.219 1.00 1.43 H new ATOM 0 HG2 GLU A 647 -0.418 17.317 6.655 1.00 44.15 H new ATOM 0 HG3 GLU A 647 -0.388 18.350 8.069 1.00 44.15 H new ATOM 2309 N GLU A 648 2.905 20.628 7.968 1.00 70.43 N ATOM 2310 CA GLU A 648 3.283 21.232 9.228 1.00 75.24 C ATOM 2311 C GLU A 648 2.012 21.297 10.065 1.00 61.30 C ATOM 2312 O GLU A 648 0.958 21.729 9.552 1.00 51.24 O ATOM 2313 CB GLU A 648 3.887 22.649 9.039 1.00 1.12 C ATOM 2314 CG GLU A 648 4.989 22.774 7.964 1.00 51.53 C ATOM 2315 CD GLU A 648 6.129 21.776 8.103 1.00 63.53 C ATOM 2316 OE1 GLU A 648 5.986 20.630 7.808 1.00 22.13 O ATOM 2317 OE2 GLU A 648 7.256 22.097 8.449 1.00 12.20 O ATOM 0 H GLU A 648 3.114 21.194 7.146 1.00 70.43 H new ATOM 0 HA GLU A 648 4.059 20.641 9.714 1.00 75.24 H new ATOM 0 HB2 GLU A 648 3.080 23.336 8.786 1.00 1.12 H new ATOM 0 HB3 GLU A 648 4.298 22.978 9.993 1.00 1.12 H new ATOM 0 HG2 GLU A 648 4.534 22.651 6.981 1.00 51.53 H new ATOM 0 HG3 GLU A 648 5.401 23.783 8.001 1.00 51.53 H new ATOM 2324 N SER A 649 2.110 20.867 11.315 1.00 10.34 N ATOM 2325 CA SER A 649 0.966 20.644 12.174 1.00 41.32 C ATOM 2326 C SER A 649 0.045 21.859 12.240 1.00 31.45 C ATOM 2327 O SER A 649 0.466 22.991 12.541 1.00 32.24 O ATOM 2328 CB SER A 649 1.420 20.201 13.560 1.00 30.21 C ATOM 2329 OG SER A 649 0.355 19.677 14.321 1.00 45.11 O ATOM 0 H SER A 649 3.003 20.661 11.764 1.00 10.34 H new ATOM 0 HA SER A 649 0.375 19.840 11.736 1.00 41.32 H new ATOM 0 HB2 SER A 649 2.201 19.447 13.462 1.00 30.21 H new ATOM 0 HB3 SER A 649 1.859 21.049 14.086 1.00 30.21 H new ATOM 0 HG SER A 649 0.686 19.403 15.202 1.00 45.11 H new