USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=22 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 180:sc= 0 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 506 THR OG1 : rot 27:sc= 0.908 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.41) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 175:sc= -3.12! (180deg=-3.16!) USER MOD Single : A 524 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000124) USER MOD Single : A 528 THR OG1 : rot -114:sc= -1.39! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.013) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 545 THR OG1 : rot -32:sc= 0.798 USER MOD Single : A 557 CYS SG : rot 33:sc= -0.0127 USER MOD Single : A 563 GLN : amide:sc= -0.725 X(o=-0.72,f=-1.1) USER MOD Single : A 564 ASN : amide:sc= -0.164 K(o=-0.16,f=-4.7!) USER MOD Single : A 569 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.934) USER MOD Single : A 570 THR OG1 : rot 157:sc= 1.22 USER MOD Single : A 572 SER OG : rot 43:sc= 0.0572 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= -0.918 K(o=-0.92,f=-0.012) USER MOD Single : A 585 LYS NZ :NH3+ -129:sc= 0.00696 (180deg=-1.55) USER MOD Single : A 586 THR OG1 : rot 46:sc= 1.04 USER MOD Single : A 639 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.38) USER MOD Single : A 640 THR OG1 : rot 51:sc= 0.15 USER MOD Single : A 641 LYS NZ :NH3+ 163:sc= -0.0334 (180deg=-0.273) USER MOD Single : A 649 SER OG : rot 0:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.686 -12.994 -3.079 1.00 23.22 N ATOM 29 CA GLY A 503 -4.545 -11.848 -2.270 1.00 23.34 C ATOM 30 C GLY A 503 -5.135 -10.607 -2.836 1.00 42.05 C ATOM 31 O GLY A 503 -5.177 -10.423 -4.054 1.00 24.02 O ATOM 0 HA2 GLY A 503 -5.007 -12.045 -1.303 1.00 23.34 H new ATOM 0 HA3 GLY A 503 -3.484 -11.678 -2.087 1.00 23.34 H new ATOM 35 N ILE A 504 -5.614 -9.775 -1.943 1.00 65.00 N ATOM 36 CA ILE A 504 -6.115 -8.470 -2.256 1.00 50.25 C ATOM 37 C ILE A 504 -5.421 -7.516 -1.305 1.00 52.12 C ATOM 38 O ILE A 504 -5.843 -7.342 -0.168 1.00 54.54 O ATOM 39 CB ILE A 504 -7.671 -8.286 -2.076 1.00 73.02 C ATOM 40 CG1 ILE A 504 -8.525 -9.251 -2.941 1.00 51.25 C ATOM 41 CG2 ILE A 504 -8.062 -6.842 -2.384 1.00 21.34 C ATOM 42 CD1 ILE A 504 -8.570 -10.690 -2.460 1.00 63.33 C ATOM 0 H ILE A 504 -5.665 -10.000 -0.949 1.00 65.00 H new ATOM 0 HA ILE A 504 -5.918 -8.289 -3.313 1.00 50.25 H new ATOM 0 HB ILE A 504 -7.886 -8.532 -1.036 1.00 73.02 H new ATOM 0 HG12 ILE A 504 -9.545 -8.868 -2.983 1.00 51.25 H new ATOM 0 HG13 ILE A 504 -8.137 -9.238 -3.960 1.00 51.25 H new ATOM 0 HG21 ILE A 504 -9.138 -6.722 -2.258 1.00 21.34 H new ATOM 0 HG22 ILE A 504 -7.539 -6.170 -1.703 1.00 21.34 H new ATOM 0 HG23 ILE A 504 -7.788 -6.602 -3.411 1.00 21.34 H new ATOM 0 HD11 ILE A 504 -9.192 -11.279 -3.133 1.00 63.33 H new ATOM 0 HD12 ILE A 504 -7.560 -11.101 -2.446 1.00 63.33 H new ATOM 0 HD13 ILE A 504 -8.990 -10.725 -1.455 1.00 63.33 H new ATOM 54 N PHE A 505 -4.314 -7.007 -1.719 1.00 51.44 N ATOM 55 CA PHE A 505 -3.578 -6.079 -0.906 1.00 63.30 C ATOM 56 C PHE A 505 -3.615 -4.725 -1.548 1.00 41.42 C ATOM 57 O PHE A 505 -3.047 -4.519 -2.614 1.00 13.03 O ATOM 58 CB PHE A 505 -2.150 -6.545 -0.739 1.00 20.21 C ATOM 59 CG PHE A 505 -2.034 -7.857 -0.030 1.00 14.33 C ATOM 60 CD1 PHE A 505 -2.228 -7.935 1.335 1.00 71.04 C ATOM 61 CD2 PHE A 505 -1.743 -9.011 -0.728 1.00 63.24 C ATOM 62 CE1 PHE A 505 -2.130 -9.140 1.988 1.00 12.14 C ATOM 63 CE2 PHE A 505 -1.643 -10.221 -0.079 1.00 15.24 C ATOM 64 CZ PHE A 505 -1.833 -10.283 1.281 1.00 42.22 C ATOM 0 H PHE A 505 -3.888 -7.214 -2.622 1.00 51.44 H new ATOM 0 HA PHE A 505 -4.034 -6.022 0.082 1.00 63.30 H new ATOM 0 HB2 PHE A 505 -1.685 -6.629 -1.721 1.00 20.21 H new ATOM 0 HB3 PHE A 505 -1.591 -5.790 -0.185 1.00 20.21 H new ATOM 0 HD1 PHE A 505 -2.459 -7.041 1.895 1.00 71.04 H new ATOM 0 HD2 PHE A 505 -1.592 -8.965 -1.796 1.00 63.24 H new ATOM 0 HE1 PHE A 505 -2.286 -9.190 3.056 1.00 12.14 H new ATOM 0 HE2 PHE A 505 -1.416 -11.118 -0.636 1.00 15.24 H new ATOM 0 HZ PHE A 505 -1.749 -11.229 1.795 1.00 42.22 H new ATOM 74 N THR A 506 -4.302 -3.832 -0.947 1.00 25.22 N ATOM 75 CA THR A 506 -4.460 -2.524 -1.480 1.00 64.13 C ATOM 76 C THR A 506 -4.606 -1.576 -0.307 1.00 50.52 C ATOM 77 O THR A 506 -4.746 -2.038 0.834 1.00 4.50 O ATOM 78 CB THR A 506 -5.731 -2.484 -2.411 1.00 73.02 C ATOM 79 OG1 THR A 506 -5.892 -1.220 -3.081 1.00 30.24 O ATOM 80 CG2 THR A 506 -7.010 -2.841 -1.661 1.00 5.44 C ATOM 0 H THR A 506 -4.780 -3.984 -0.059 1.00 25.22 H new ATOM 0 HA THR A 506 -3.602 -2.232 -2.085 1.00 64.13 H new ATOM 0 HB THR A 506 -5.554 -3.245 -3.171 1.00 73.02 H new ATOM 0 HG1 THR A 506 -5.016 -0.793 -3.190 1.00 30.24 H new ATOM 0 HG21 THR A 506 -7.857 -2.799 -2.346 1.00 5.44 H new ATOM 0 HG22 THR A 506 -6.923 -3.848 -1.252 1.00 5.44 H new ATOM 0 HG23 THR A 506 -7.165 -2.132 -0.848 1.00 5.44 H new ATOM 88 N PHE A 507 -4.516 -0.298 -0.549 1.00 73.03 N ATOM 89 CA PHE A 507 -4.790 0.675 0.487 1.00 13.22 C ATOM 90 C PHE A 507 -6.229 1.075 0.329 1.00 34.00 C ATOM 91 O PHE A 507 -6.783 0.921 -0.771 1.00 41.23 O ATOM 92 CB PHE A 507 -3.882 1.901 0.361 1.00 72.34 C ATOM 93 CG PHE A 507 -2.415 1.610 0.513 1.00 22.20 C ATOM 94 CD1 PHE A 507 -1.850 1.457 1.769 1.00 71.52 C ATOM 95 CD2 PHE A 507 -1.601 1.501 -0.598 1.00 33.14 C ATOM 96 CE1 PHE A 507 -0.500 1.199 1.910 1.00 10.34 C ATOM 97 CE2 PHE A 507 -0.252 1.245 -0.465 1.00 1.42 C ATOM 98 CZ PHE A 507 0.299 1.096 0.789 1.00 51.24 C ATOM 0 H PHE A 507 -4.256 0.100 -1.451 1.00 73.03 H new ATOM 0 HA PHE A 507 -4.599 0.245 1.470 1.00 13.22 H new ATOM 0 HB2 PHE A 507 -4.049 2.362 -0.612 1.00 72.34 H new ATOM 0 HB3 PHE A 507 -4.174 2.632 1.114 1.00 72.34 H new ATOM 0 HD1 PHE A 507 -2.472 1.540 2.648 1.00 71.52 H new ATOM 0 HD2 PHE A 507 -2.026 1.618 -1.584 1.00 33.14 H new ATOM 0 HE1 PHE A 507 -0.071 1.078 2.894 1.00 10.34 H new ATOM 0 HE2 PHE A 507 0.372 1.161 -1.343 1.00 1.42 H new ATOM 0 HZ PHE A 507 1.356 0.899 0.895 1.00 51.24 H new ATOM 108 N GLU A 508 -6.862 1.531 1.380 1.00 61.21 N ATOM 109 CA GLU A 508 -8.245 1.913 1.269 1.00 52.14 C ATOM 110 C GLU A 508 -8.282 3.389 0.912 1.00 33.33 C ATOM 111 O GLU A 508 -9.192 3.870 0.247 1.00 51.41 O ATOM 112 CB GLU A 508 -8.997 1.633 2.574 1.00 64.14 C ATOM 113 CG GLU A 508 -10.484 1.382 2.377 1.00 31.22 C ATOM 114 CD GLU A 508 -11.220 1.156 3.674 1.00 51.33 C ATOM 115 OE1 GLU A 508 -11.419 2.124 4.439 1.00 51.31 O ATOM 116 OE2 GLU A 508 -11.600 -0.001 3.966 1.00 45.01 O ATOM 0 H GLU A 508 -6.450 1.645 2.306 1.00 61.21 H new ATOM 0 HA GLU A 508 -8.742 1.329 0.495 1.00 52.14 H new ATOM 0 HB2 GLU A 508 -8.552 0.766 3.061 1.00 64.14 H new ATOM 0 HB3 GLU A 508 -8.866 2.479 3.248 1.00 64.14 H new ATOM 0 HG2 GLU A 508 -10.925 2.233 1.859 1.00 31.22 H new ATOM 0 HG3 GLU A 508 -10.618 0.513 1.733 1.00 31.22 H new ATOM 123 N GLU A 509 -7.277 4.089 1.360 1.00 31.22 N ATOM 124 CA GLU A 509 -7.073 5.463 1.043 1.00 52.24 C ATOM 125 C GLU A 509 -5.814 5.606 0.168 1.00 52.13 C ATOM 126 O GLU A 509 -4.776 5.034 0.472 1.00 34.14 O ATOM 127 CB GLU A 509 -6.944 6.332 2.325 1.00 75.12 C ATOM 128 CG GLU A 509 -5.810 5.938 3.298 1.00 23.41 C ATOM 129 CD GLU A 509 -6.112 4.720 4.169 1.00 21.41 C ATOM 130 OE1 GLU A 509 -6.049 3.571 3.677 1.00 12.54 O ATOM 131 OE2 GLU A 509 -6.427 4.906 5.373 1.00 24.33 O ATOM 0 H GLU A 509 -6.560 3.702 1.973 1.00 31.22 H new ATOM 0 HA GLU A 509 -7.943 5.822 0.493 1.00 52.24 H new ATOM 0 HB2 GLU A 509 -6.794 7.369 2.024 1.00 75.12 H new ATOM 0 HB3 GLU A 509 -7.890 6.291 2.865 1.00 75.12 H new ATOM 0 HG2 GLU A 509 -4.907 5.740 2.721 1.00 23.41 H new ATOM 0 HG3 GLU A 509 -5.594 6.787 3.946 1.00 23.41 H new ATOM 138 N PRO A 510 -5.900 6.334 -0.952 1.00 24.14 N ATOM 139 CA PRO A 510 -4.744 6.582 -1.810 1.00 54.10 C ATOM 140 C PRO A 510 -3.933 7.776 -1.312 1.00 2.22 C ATOM 141 O PRO A 510 -2.828 8.038 -1.795 1.00 2.30 O ATOM 142 CB PRO A 510 -5.385 6.909 -3.161 1.00 32.11 C ATOM 143 CG PRO A 510 -6.714 7.506 -2.827 1.00 63.04 C ATOM 144 CD PRO A 510 -7.130 6.945 -1.491 1.00 11.14 C ATOM 0 HA PRO A 510 -4.052 5.740 -1.841 1.00 54.10 H new ATOM 0 HB2 PRO A 510 -4.771 7.607 -3.730 1.00 32.11 H new ATOM 0 HB3 PRO A 510 -5.497 6.013 -3.771 1.00 32.11 H new ATOM 0 HG2 PRO A 510 -6.648 8.593 -2.784 1.00 63.04 H new ATOM 0 HG3 PRO A 510 -7.450 7.261 -3.593 1.00 63.04 H new ATOM 0 HD2 PRO A 510 -7.508 7.727 -0.832 1.00 11.14 H new ATOM 0 HD3 PRO A 510 -7.926 6.208 -1.600 1.00 11.14 H new ATOM 152 N VAL A 511 -4.498 8.498 -0.355 1.00 54.31 N ATOM 153 CA VAL A 511 -3.905 9.692 0.215 1.00 3.44 C ATOM 154 C VAL A 511 -4.167 9.728 1.713 1.00 34.33 C ATOM 155 O VAL A 511 -5.287 9.447 2.177 1.00 63.11 O ATOM 156 CB VAL A 511 -4.507 10.999 -0.418 1.00 13.25 C ATOM 157 CG1 VAL A 511 -3.962 12.238 0.249 1.00 14.32 C ATOM 158 CG2 VAL A 511 -4.248 11.077 -1.904 1.00 4.01 C ATOM 0 H VAL A 511 -5.402 8.262 0.054 1.00 54.31 H new ATOM 0 HA VAL A 511 -2.836 9.657 0.005 1.00 3.44 H new ATOM 0 HB VAL A 511 -5.584 10.950 -0.254 1.00 13.25 H new ATOM 0 HG11 VAL A 511 -4.400 13.123 -0.214 1.00 14.32 H new ATOM 0 HG12 VAL A 511 -4.214 12.221 1.309 1.00 14.32 H new ATOM 0 HG13 VAL A 511 -2.878 12.267 0.134 1.00 14.32 H new ATOM 0 HG21 VAL A 511 -4.681 11.995 -2.301 1.00 4.01 H new ATOM 0 HG22 VAL A 511 -3.173 11.074 -2.087 1.00 4.01 H new ATOM 0 HG23 VAL A 511 -4.703 10.218 -2.398 1.00 4.01 H new ATOM 168 N THR A 512 -3.159 10.053 2.456 1.00 35.33 N ATOM 169 CA THR A 512 -3.290 10.233 3.851 1.00 31.42 C ATOM 170 C THR A 512 -2.447 11.458 4.228 1.00 2.04 C ATOM 171 O THR A 512 -1.379 11.684 3.650 1.00 31.54 O ATOM 172 CB THR A 512 -2.866 8.940 4.650 1.00 11.50 C ATOM 173 OG1 THR A 512 -3.301 9.019 6.008 1.00 32.23 O ATOM 174 CG2 THR A 512 -1.357 8.716 4.627 1.00 30.14 C ATOM 0 H THR A 512 -2.215 10.201 2.100 1.00 35.33 H new ATOM 0 HA THR A 512 -4.332 10.403 4.120 1.00 31.42 H new ATOM 0 HB THR A 512 -3.347 8.098 4.153 1.00 11.50 H new ATOM 0 HG1 THR A 512 -3.030 8.208 6.486 1.00 32.23 H new ATOM 0 HG21 THR A 512 -1.114 7.815 5.190 1.00 30.14 H new ATOM 0 HG22 THR A 512 -1.022 8.601 3.596 1.00 30.14 H new ATOM 0 HG23 THR A 512 -0.855 9.572 5.078 1.00 30.14 H new ATOM 182 N HIS A 513 -2.964 12.287 5.086 1.00 51.42 N ATOM 183 CA HIS A 513 -2.236 13.439 5.557 1.00 45.11 C ATOM 184 C HIS A 513 -1.847 13.151 6.968 1.00 73.25 C ATOM 185 O HIS A 513 -2.678 12.669 7.765 1.00 55.13 O ATOM 186 CB HIS A 513 -3.071 14.736 5.480 1.00 74.02 C ATOM 187 CG HIS A 513 -3.439 15.190 4.084 1.00 61.34 C ATOM 188 ND1 HIS A 513 -3.022 16.381 3.526 1.00 60.12 N ATOM 189 CD2 HIS A 513 -4.251 14.617 3.157 1.00 61.33 C ATOM 190 CE1 HIS A 513 -3.575 16.496 2.320 1.00 51.40 C ATOM 191 NE2 HIS A 513 -4.336 15.448 2.042 1.00 13.03 N ATOM 0 H HIS A 513 -3.899 12.189 5.481 1.00 51.42 H new ATOM 0 HA HIS A 513 -1.364 13.608 4.925 1.00 45.11 H new ATOM 0 HB2 HIS A 513 -3.989 14.591 6.050 1.00 74.02 H new ATOM 0 HB3 HIS A 513 -2.515 15.536 5.969 1.00 74.02 H new ATOM 0 HD2 HIS A 513 -4.752 13.667 3.267 1.00 61.33 H new ATOM 0 HE1 HIS A 513 -3.423 17.334 1.656 1.00 51.40 H new ATOM 0 HE2 HIS A 513 -4.872 15.284 1.190 1.00 13.03 H new ATOM 199 N VAL A 514 -0.626 13.392 7.289 1.00 34.14 N ATOM 200 CA VAL A 514 -0.138 13.039 8.584 1.00 53.22 C ATOM 201 C VAL A 514 0.354 14.226 9.322 1.00 43.02 C ATOM 202 O VAL A 514 0.668 15.277 8.738 1.00 2.12 O ATOM 203 CB VAL A 514 0.962 11.940 8.538 1.00 20.04 C ATOM 204 CG1 VAL A 514 0.415 10.655 7.931 1.00 2.24 C ATOM 205 CG2 VAL A 514 2.191 12.417 7.773 1.00 70.23 C ATOM 0 H VAL A 514 0.059 13.833 6.675 1.00 34.14 H new ATOM 0 HA VAL A 514 -0.990 12.621 9.120 1.00 53.22 H new ATOM 0 HB VAL A 514 1.268 11.733 9.563 1.00 20.04 H new ATOM 0 HG11 VAL A 514 1.201 9.900 7.908 1.00 2.24 H new ATOM 0 HG12 VAL A 514 -0.418 10.294 8.534 1.00 2.24 H new ATOM 0 HG13 VAL A 514 0.070 10.850 6.916 1.00 2.24 H new ATOM 0 HG21 VAL A 514 2.941 11.626 7.759 1.00 70.23 H new ATOM 0 HG22 VAL A 514 1.909 12.667 6.750 1.00 70.23 H new ATOM 0 HG23 VAL A 514 2.604 13.300 8.262 1.00 70.23 H new ATOM 215 N SER A 515 0.404 14.069 10.594 1.00 3.24 N ATOM 216 CA SER A 515 0.872 15.049 11.457 1.00 32.53 C ATOM 217 C SER A 515 2.392 14.972 11.475 1.00 12.40 C ATOM 218 O SER A 515 2.945 13.906 11.386 1.00 11.14 O ATOM 219 CB SER A 515 0.285 14.729 12.807 1.00 31.33 C ATOM 220 OG SER A 515 -1.143 14.743 12.751 1.00 61.23 O ATOM 0 H SER A 515 0.105 13.215 11.065 1.00 3.24 H new ATOM 0 HA SER A 515 0.589 16.059 11.159 1.00 32.53 H new ATOM 0 HB2 SER A 515 0.632 13.750 13.137 1.00 31.33 H new ATOM 0 HB3 SER A 515 0.633 15.455 13.542 1.00 31.33 H new ATOM 0 HG SER A 515 -1.507 14.531 13.636 1.00 61.23 H new ATOM 226 N GLU A 516 3.060 16.083 11.535 1.00 3.30 N ATOM 227 CA GLU A 516 4.509 16.058 11.576 1.00 12.23 C ATOM 228 C GLU A 516 5.010 15.750 12.998 1.00 13.35 C ATOM 229 O GLU A 516 6.112 15.258 13.187 1.00 40.23 O ATOM 230 CB GLU A 516 5.066 17.378 11.093 1.00 35.24 C ATOM 231 CG GLU A 516 6.562 17.389 10.934 1.00 52.10 C ATOM 232 CD GLU A 516 7.067 18.731 10.562 1.00 10.31 C ATOM 233 OE1 GLU A 516 7.203 19.595 11.443 1.00 54.21 O ATOM 234 OE2 GLU A 516 7.338 18.964 9.374 1.00 1.31 O ATOM 0 H GLU A 516 2.641 17.013 11.557 1.00 3.30 H new ATOM 0 HA GLU A 516 4.860 15.266 10.914 1.00 12.23 H new ATOM 0 HB2 GLU A 516 4.607 17.626 10.136 1.00 35.24 H new ATOM 0 HB3 GLU A 516 4.780 18.160 11.796 1.00 35.24 H new ATOM 0 HG2 GLU A 516 7.029 17.071 11.866 1.00 52.10 H new ATOM 0 HG3 GLU A 516 6.851 16.667 10.170 1.00 52.10 H new ATOM 241 N SER A 517 4.170 15.977 13.981 1.00 51.43 N ATOM 242 CA SER A 517 4.558 15.781 15.369 1.00 2.01 C ATOM 243 C SER A 517 4.151 14.393 15.849 1.00 2.44 C ATOM 244 O SER A 517 4.032 14.132 17.044 1.00 41.33 O ATOM 245 CB SER A 517 3.929 16.876 16.229 1.00 35.33 C ATOM 246 OG SER A 517 4.338 18.158 15.764 1.00 30.03 O ATOM 0 H SER A 517 3.211 16.298 13.851 1.00 51.43 H new ATOM 0 HA SER A 517 5.642 15.849 15.457 1.00 2.01 H new ATOM 0 HB2 SER A 517 2.842 16.797 16.194 1.00 35.33 H new ATOM 0 HB3 SER A 517 4.225 16.747 17.270 1.00 35.33 H new ATOM 0 HG SER A 517 3.929 18.854 16.320 1.00 30.03 H new ATOM 252 N ILE A 518 3.984 13.502 14.910 1.00 62.34 N ATOM 253 CA ILE A 518 3.592 12.164 15.199 1.00 34.55 C ATOM 254 C ILE A 518 4.844 11.294 15.237 1.00 35.12 C ATOM 255 O ILE A 518 5.842 11.600 14.572 1.00 44.52 O ATOM 256 CB ILE A 518 2.592 11.660 14.133 1.00 53.40 C ATOM 257 CG1 ILE A 518 1.858 10.430 14.592 1.00 34.02 C ATOM 258 CG2 ILE A 518 3.277 11.381 12.809 1.00 45.35 C ATOM 259 CD1 ILE A 518 0.744 10.082 13.670 1.00 71.22 C ATOM 0 H ILE A 518 4.119 13.693 13.917 1.00 62.34 H new ATOM 0 HA ILE A 518 3.091 12.116 16.166 1.00 34.55 H new ATOM 0 HB ILE A 518 1.868 12.462 13.989 1.00 53.40 H new ATOM 0 HG12 ILE A 518 2.553 9.593 14.656 1.00 34.02 H new ATOM 0 HG13 ILE A 518 1.464 10.594 15.595 1.00 34.02 H new ATOM 0 HG21 ILE A 518 2.541 11.029 12.086 1.00 45.35 H new ATOM 0 HG22 ILE A 518 3.740 12.296 12.439 1.00 45.35 H new ATOM 0 HG23 ILE A 518 4.042 10.618 12.949 1.00 45.35 H new ATOM 0 HD11 ILE A 518 0.237 9.188 14.033 1.00 71.22 H new ATOM 0 HD12 ILE A 518 0.036 10.909 13.627 1.00 71.22 H new ATOM 0 HD13 ILE A 518 1.142 9.893 12.673 1.00 71.22 H new ATOM 271 N GLY A 519 4.819 10.268 16.027 1.00 32.45 N ATOM 272 CA GLY A 519 5.953 9.403 16.124 1.00 12.40 C ATOM 273 C GLY A 519 5.957 8.380 15.025 1.00 73.01 C ATOM 274 O GLY A 519 6.938 8.244 14.272 1.00 25.41 O ATOM 0 H GLY A 519 4.027 10.008 16.614 1.00 32.45 H new ATOM 0 HA2 GLY A 519 6.868 9.993 16.077 1.00 12.40 H new ATOM 0 HA3 GLY A 519 5.947 8.900 17.091 1.00 12.40 H new ATOM 278 N ILE A 520 4.874 7.665 14.929 1.00 41.41 N ATOM 279 CA ILE A 520 4.709 6.639 13.943 1.00 3.23 C ATOM 280 C ILE A 520 3.362 6.806 13.287 1.00 14.44 C ATOM 281 O ILE A 520 2.337 6.887 13.975 1.00 34.21 O ATOM 282 CB ILE A 520 4.778 5.209 14.580 1.00 74.14 C ATOM 283 CG1 ILE A 520 6.168 4.886 15.159 1.00 55.42 C ATOM 284 CG2 ILE A 520 4.352 4.138 13.593 1.00 11.42 C ATOM 285 CD1 ILE A 520 7.270 4.814 14.128 1.00 31.10 C ATOM 0 H ILE A 520 4.068 7.781 15.544 1.00 41.41 H new ATOM 0 HA ILE A 520 5.517 6.733 13.217 1.00 3.23 H new ATOM 0 HB ILE A 520 4.073 5.213 15.411 1.00 74.14 H new ATOM 0 HG12 ILE A 520 6.426 5.645 15.897 1.00 55.42 H new ATOM 0 HG13 ILE A 520 6.117 3.933 15.686 1.00 55.42 H new ATOM 0 HG21 ILE A 520 4.412 3.159 14.069 1.00 11.42 H new ATOM 0 HG22 ILE A 520 3.326 4.324 13.275 1.00 11.42 H new ATOM 0 HG23 ILE A 520 5.011 4.160 12.725 1.00 11.42 H new ATOM 0 HD11 ILE A 520 8.214 4.582 14.620 1.00 31.10 H new ATOM 0 HD12 ILE A 520 7.039 4.035 13.402 1.00 31.10 H new ATOM 0 HD13 ILE A 520 7.353 5.773 13.617 1.00 31.10 H new ATOM 297 N MET A 521 3.353 6.901 11.992 1.00 74.02 N ATOM 298 CA MET A 521 2.107 6.910 11.271 1.00 42.33 C ATOM 299 C MET A 521 1.833 5.487 10.855 1.00 14.22 C ATOM 300 O MET A 521 2.766 4.757 10.484 1.00 31.20 O ATOM 301 CB MET A 521 2.128 7.845 10.041 1.00 12.02 C ATOM 302 CG MET A 521 3.050 7.402 8.920 1.00 35.12 C ATOM 303 SD MET A 521 2.937 8.469 7.485 1.00 42.14 S ATOM 304 CE MET A 521 3.852 7.535 6.285 1.00 73.12 C ATOM 0 H MET A 521 4.188 6.973 11.411 1.00 74.02 H new ATOM 0 HA MET A 521 1.319 7.300 11.916 1.00 42.33 H new ATOM 0 HB2 MET A 521 1.115 7.928 9.648 1.00 12.02 H new ATOM 0 HB3 MET A 521 2.426 8.842 10.365 1.00 12.02 H new ATOM 0 HG2 MET A 521 4.078 7.391 9.281 1.00 35.12 H new ATOM 0 HG3 MET A 521 2.802 6.381 8.631 1.00 35.12 H new ATOM 0 HE1 MET A 521 3.793 8.031 5.316 1.00 73.12 H new ATOM 0 HE2 MET A 521 4.895 7.467 6.595 1.00 73.12 H new ATOM 0 HE3 MET A 521 3.431 6.533 6.206 1.00 73.12 H new ATOM 314 N GLU A 522 0.612 5.073 10.985 1.00 42.24 N ATOM 315 CA GLU A 522 0.218 3.743 10.618 1.00 33.41 C ATOM 316 C GLU A 522 -0.927 3.771 9.647 1.00 32.15 C ATOM 317 O GLU A 522 -1.822 4.598 9.756 1.00 23.00 O ATOM 318 CB GLU A 522 -0.125 2.909 11.847 1.00 61.21 C ATOM 319 CG GLU A 522 1.095 2.444 12.609 1.00 61.23 C ATOM 320 CD GLU A 522 0.774 1.625 13.823 1.00 1.53 C ATOM 321 OE1 GLU A 522 0.641 0.395 13.705 1.00 1.53 O ATOM 322 OE2 GLU A 522 0.698 2.187 14.933 1.00 15.30 O ATOM 0 H GLU A 522 -0.146 5.649 11.350 1.00 42.24 H new ATOM 0 HA GLU A 522 1.066 3.269 10.124 1.00 33.41 H new ATOM 0 HB2 GLU A 522 -0.759 3.496 12.512 1.00 61.21 H new ATOM 0 HB3 GLU A 522 -0.706 2.040 11.538 1.00 61.21 H new ATOM 0 HG2 GLU A 522 1.726 1.856 11.942 1.00 61.23 H new ATOM 0 HG3 GLU A 522 1.676 3.315 12.913 1.00 61.23 H new ATOM 329 N VAL A 523 -0.879 2.891 8.685 1.00 21.31 N ATOM 330 CA VAL A 523 -1.905 2.808 7.665 1.00 31.42 C ATOM 331 C VAL A 523 -2.459 1.400 7.647 1.00 53.12 C ATOM 332 O VAL A 523 -1.695 0.442 7.549 1.00 64.54 O ATOM 333 CB VAL A 523 -1.327 3.143 6.272 1.00 61.25 C ATOM 334 CG1 VAL A 523 -2.424 3.179 5.210 1.00 55.40 C ATOM 335 CG2 VAL A 523 -0.568 4.455 6.313 1.00 10.34 C ATOM 0 H VAL A 523 -0.129 2.207 8.580 1.00 21.31 H new ATOM 0 HA VAL A 523 -2.690 3.528 7.895 1.00 31.42 H new ATOM 0 HB VAL A 523 -0.630 2.351 5.997 1.00 61.25 H new ATOM 0 HG11 VAL A 523 -1.985 3.417 4.241 1.00 55.40 H new ATOM 0 HG12 VAL A 523 -2.912 2.206 5.158 1.00 55.40 H new ATOM 0 HG13 VAL A 523 -3.159 3.940 5.472 1.00 55.40 H new ATOM 0 HG21 VAL A 523 -0.168 4.675 5.323 1.00 10.34 H new ATOM 0 HG22 VAL A 523 -1.242 5.256 6.618 1.00 10.34 H new ATOM 0 HG23 VAL A 523 0.252 4.379 7.027 1.00 10.34 H new ATOM 345 N LYS A 524 -3.759 1.286 7.768 1.00 42.13 N ATOM 346 CA LYS A 524 -4.444 0.005 7.803 1.00 10.04 C ATOM 347 C LYS A 524 -4.567 -0.580 6.414 1.00 24.45 C ATOM 348 O LYS A 524 -5.224 -0.022 5.539 1.00 71.31 O ATOM 349 CB LYS A 524 -5.813 0.168 8.440 1.00 52.02 C ATOM 350 CG LYS A 524 -5.760 0.510 9.917 1.00 4.43 C ATOM 351 CD LYS A 524 -5.541 -0.734 10.747 1.00 61.14 C ATOM 352 CE LYS A 524 -5.358 -0.448 12.225 1.00 11.14 C ATOM 353 NZ LYS A 524 -6.519 0.236 12.844 1.00 24.11 N ATOM 0 H LYS A 524 -4.385 2.088 7.846 1.00 42.13 H new ATOM 0 HA LYS A 524 -3.856 -0.688 8.405 1.00 10.04 H new ATOM 0 HB2 LYS A 524 -6.358 0.952 7.914 1.00 52.02 H new ATOM 0 HB3 LYS A 524 -6.377 -0.755 8.310 1.00 52.02 H new ATOM 0 HG2 LYS A 524 -4.956 1.222 10.102 1.00 4.43 H new ATOM 0 HG3 LYS A 524 -6.690 0.994 10.217 1.00 4.43 H new ATOM 0 HD2 LYS A 524 -6.392 -1.403 10.617 1.00 61.14 H new ATOM 0 HD3 LYS A 524 -4.662 -1.260 10.375 1.00 61.14 H new ATOM 0 HE2 LYS A 524 -5.178 -1.387 12.749 1.00 11.14 H new ATOM 0 HE3 LYS A 524 -4.469 0.168 12.360 1.00 11.14 H new ATOM 0 HZ1 LYS A 524 -6.334 0.386 13.856 1.00 24.11 H new ATOM 0 HZ2 LYS A 524 -6.669 1.155 12.380 1.00 24.11 H new ATOM 0 HZ3 LYS A 524 -7.369 -0.352 12.730 1.00 24.11 H new ATOM 367 N VAL A 525 -3.961 -1.697 6.235 1.00 3.23 N ATOM 368 CA VAL A 525 -3.909 -2.350 4.928 1.00 33.02 C ATOM 369 C VAL A 525 -4.957 -3.443 4.828 1.00 30.44 C ATOM 370 O VAL A 525 -5.195 -4.175 5.804 1.00 1.23 O ATOM 371 CB VAL A 525 -2.512 -2.967 4.666 1.00 63.10 C ATOM 372 CG1 VAL A 525 -2.386 -3.509 3.245 1.00 32.05 C ATOM 373 CG2 VAL A 525 -1.439 -1.954 4.933 1.00 53.45 C ATOM 0 H VAL A 525 -3.479 -2.205 6.976 1.00 3.23 H new ATOM 0 HA VAL A 525 -4.109 -1.585 4.178 1.00 33.02 H new ATOM 0 HB VAL A 525 -2.391 -3.808 5.349 1.00 63.10 H new ATOM 0 HG11 VAL A 525 -1.392 -3.932 3.104 1.00 32.05 H new ATOM 0 HG12 VAL A 525 -3.136 -4.283 3.083 1.00 32.05 H new ATOM 0 HG13 VAL A 525 -2.540 -2.699 2.532 1.00 32.05 H new ATOM 0 HG21 VAL A 525 -0.462 -2.400 4.745 1.00 53.45 H new ATOM 0 HG22 VAL A 525 -1.578 -1.095 4.276 1.00 53.45 H new ATOM 0 HG23 VAL A 525 -1.496 -1.629 5.972 1.00 53.45 H new ATOM 383 N LEU A 526 -5.582 -3.537 3.661 1.00 3.24 N ATOM 384 CA LEU A 526 -6.571 -4.564 3.384 1.00 22.53 C ATOM 385 C LEU A 526 -5.878 -5.923 3.317 1.00 20.24 C ATOM 386 O LEU A 526 -4.732 -6.026 2.861 1.00 5.21 O ATOM 387 CB LEU A 526 -7.358 -4.273 2.077 1.00 51.33 C ATOM 388 CG LEU A 526 -8.312 -3.037 2.053 1.00 70.33 C ATOM 389 CD1 LEU A 526 -9.316 -3.079 3.176 1.00 12.23 C ATOM 390 CD2 LEU A 526 -7.563 -1.731 2.085 1.00 51.03 C ATOM 0 H LEU A 526 -5.415 -2.901 2.881 1.00 3.24 H new ATOM 0 HA LEU A 526 -7.302 -4.569 4.193 1.00 22.53 H new ATOM 0 HB2 LEU A 526 -6.634 -4.151 1.272 1.00 51.33 H new ATOM 0 HB3 LEU A 526 -7.951 -5.157 1.841 1.00 51.33 H new ATOM 0 HG LEU A 526 -8.848 -3.095 1.106 1.00 70.33 H new ATOM 0 HD11 LEU A 526 -9.959 -2.201 3.122 1.00 12.23 H new ATOM 0 HD12 LEU A 526 -9.923 -3.980 3.088 1.00 12.23 H new ATOM 0 HD13 LEU A 526 -8.792 -3.087 4.132 1.00 12.23 H new ATOM 0 HD21 LEU A 526 -8.273 -0.904 2.067 1.00 51.03 H new ATOM 0 HD22 LEU A 526 -6.966 -1.676 2.995 1.00 51.03 H new ATOM 0 HD23 LEU A 526 -6.908 -1.666 1.216 1.00 51.03 H new ATOM 402 N ARG A 527 -6.553 -6.939 3.778 1.00 50.40 N ATOM 403 CA ARG A 527 -5.965 -8.252 3.900 1.00 32.14 C ATOM 404 C ARG A 527 -6.362 -9.138 2.724 1.00 53.45 C ATOM 405 O ARG A 527 -7.369 -8.906 2.061 1.00 33.24 O ATOM 406 CB ARG A 527 -6.469 -8.901 5.187 1.00 65.15 C ATOM 407 CG ARG A 527 -5.789 -10.204 5.584 1.00 22.02 C ATOM 408 CD ARG A 527 -6.696 -11.034 6.456 1.00 64.12 C ATOM 409 NE ARG A 527 -7.818 -11.568 5.670 1.00 20.42 N ATOM 410 CZ ARG A 527 -9.112 -11.465 5.976 1.00 71.30 C ATOM 411 NH1 ARG A 527 -9.511 -10.646 6.943 1.00 73.24 N ATOM 412 NH2 ARG A 527 -10.013 -12.126 5.249 1.00 61.22 N ATOM 0 H ARG A 527 -7.526 -6.885 4.081 1.00 50.40 H new ATOM 0 HA ARG A 527 -4.880 -8.147 3.914 1.00 32.14 H new ATOM 0 HB2 ARG A 527 -6.349 -8.188 6.002 1.00 65.15 H new ATOM 0 HB3 ARG A 527 -7.538 -9.088 5.082 1.00 65.15 H new ATOM 0 HG2 ARG A 527 -5.521 -10.767 4.690 1.00 22.02 H new ATOM 0 HG3 ARG A 527 -4.862 -9.989 6.116 1.00 22.02 H new ATOM 0 HD2 ARG A 527 -6.132 -11.854 6.900 1.00 64.12 H new ATOM 0 HD3 ARG A 527 -7.076 -10.427 7.278 1.00 64.12 H new ATOM 0 HE ARG A 527 -7.585 -12.064 4.810 1.00 20.42 H new ATOM 0 HH11 ARG A 527 -8.826 -10.091 7.456 1.00 73.24 H new ATOM 0 HH12 ARG A 527 -10.502 -10.572 7.172 1.00 73.24 H new ATOM 0 HH21 ARG A 527 -9.711 -12.705 4.466 1.00 61.22 H new ATOM 0 HH22 ARG A 527 -11.005 -12.053 5.476 1.00 61.22 H new ATOM 426 N THR A 528 -5.566 -10.146 2.484 1.00 32.21 N ATOM 427 CA THR A 528 -5.862 -11.142 1.510 1.00 15.15 C ATOM 428 C THR A 528 -7.101 -11.948 1.935 1.00 53.13 C ATOM 429 O THR A 528 -7.248 -12.326 3.112 1.00 63.13 O ATOM 430 CB THR A 528 -4.644 -12.084 1.299 1.00 23.42 C ATOM 431 OG1 THR A 528 -4.963 -13.126 0.401 1.00 52.53 O ATOM 432 CG2 THR A 528 -4.107 -12.639 2.615 1.00 72.35 C ATOM 0 H THR A 528 -4.682 -10.293 2.971 1.00 32.21 H new ATOM 0 HA THR A 528 -6.076 -10.647 0.563 1.00 15.15 H new ATOM 0 HB THR A 528 -3.847 -11.484 0.860 1.00 23.42 H new ATOM 0 HG1 THR A 528 -4.952 -13.983 0.877 1.00 52.53 H new ATOM 0 HG21 THR A 528 -3.257 -13.291 2.415 1.00 72.35 H new ATOM 0 HG22 THR A 528 -3.790 -11.815 3.255 1.00 72.35 H new ATOM 0 HG23 THR A 528 -4.890 -13.207 3.117 1.00 72.35 H new ATOM 440 N SER A 529 -7.992 -12.172 1.004 1.00 14.41 N ATOM 441 CA SER A 529 -9.190 -12.926 1.279 1.00 14.53 C ATOM 442 C SER A 529 -8.854 -14.413 1.207 1.00 64.10 C ATOM 443 O SER A 529 -9.340 -15.225 2.012 1.00 51.53 O ATOM 444 CB SER A 529 -10.294 -12.543 0.286 1.00 13.21 C ATOM 445 OG SER A 529 -11.534 -13.147 0.607 1.00 24.01 O ATOM 0 H SER A 529 -7.910 -11.841 0.043 1.00 14.41 H new ATOM 0 HA SER A 529 -9.563 -12.699 2.278 1.00 14.53 H new ATOM 0 HB2 SER A 529 -10.411 -11.459 0.276 1.00 13.21 H new ATOM 0 HB3 SER A 529 -9.996 -12.841 -0.719 1.00 13.21 H new ATOM 0 HG SER A 529 -12.210 -12.876 -0.049 1.00 24.01 H new ATOM 451 N GLY A 530 -7.988 -14.755 0.268 1.00 41.31 N ATOM 452 CA GLY A 530 -7.516 -16.087 0.147 1.00 30.42 C ATOM 453 C GLY A 530 -6.330 -16.242 1.035 1.00 13.31 C ATOM 454 O GLY A 530 -5.232 -15.784 0.704 1.00 3.13 O ATOM 0 H GLY A 530 -7.605 -14.106 -0.420 1.00 41.31 H new ATOM 0 HA2 GLY A 530 -8.297 -16.794 0.428 1.00 30.42 H new ATOM 0 HA3 GLY A 530 -7.248 -16.303 -0.887 1.00 30.42 H new ATOM 458 N ALA A 531 -6.560 -16.781 2.193 1.00 44.51 N ATOM 459 CA ALA A 531 -5.524 -16.944 3.162 1.00 43.31 C ATOM 460 C ALA A 531 -5.787 -18.149 4.003 1.00 20.35 C ATOM 461 O ALA A 531 -6.682 -18.147 4.844 1.00 52.12 O ATOM 462 CB ALA A 531 -5.416 -15.710 4.043 1.00 24.43 C ATOM 0 H ALA A 531 -7.474 -17.121 2.492 1.00 44.51 H new ATOM 0 HA ALA A 531 -4.580 -17.079 2.634 1.00 43.31 H new ATOM 0 HB1 ALA A 531 -4.621 -15.854 4.775 1.00 24.43 H new ATOM 0 HB2 ALA A 531 -5.188 -14.841 3.426 1.00 24.43 H new ATOM 0 HB3 ALA A 531 -6.361 -15.549 4.561 1.00 24.43 H new ATOM 468 N ARG A 532 -5.115 -19.207 3.690 1.00 34.34 N ATOM 469 CA ARG A 532 -5.116 -20.402 4.470 1.00 73.13 C ATOM 470 C ARG A 532 -3.693 -20.683 4.918 1.00 70.44 C ATOM 471 O ARG A 532 -3.394 -21.743 5.472 1.00 30.21 O ATOM 472 CB ARG A 532 -5.658 -21.605 3.677 1.00 13.44 C ATOM 473 CG ARG A 532 -7.128 -21.513 3.306 1.00 13.13 C ATOM 474 CD ARG A 532 -7.375 -20.497 2.232 1.00 40.11 C ATOM 475 NE ARG A 532 -8.747 -20.483 1.745 1.00 54.13 N ATOM 476 CZ ARG A 532 -9.133 -19.861 0.624 1.00 35.34 C ATOM 477 NH1 ARG A 532 -8.235 -19.267 -0.153 1.00 42.21 N ATOM 478 NH2 ARG A 532 -10.407 -19.866 0.258 1.00 32.35 N ATOM 0 H ARG A 532 -4.530 -19.266 2.856 1.00 34.34 H new ATOM 0 HA ARG A 532 -5.772 -20.257 5.328 1.00 73.13 H new ATOM 0 HB2 ARG A 532 -5.073 -21.713 2.764 1.00 13.44 H new ATOM 0 HB3 ARG A 532 -5.502 -22.510 4.265 1.00 13.44 H new ATOM 0 HG2 ARG A 532 -7.478 -22.489 2.969 1.00 13.13 H new ATOM 0 HG3 ARG A 532 -7.709 -21.254 4.191 1.00 13.13 H new ATOM 0 HD2 ARG A 532 -7.125 -19.508 2.615 1.00 40.11 H new ATOM 0 HD3 ARG A 532 -6.704 -20.694 1.396 1.00 40.11 H new ATOM 0 HE ARG A 532 -9.455 -20.976 2.289 1.00 54.13 H new ATOM 0 HH11 ARG A 532 -7.248 -19.284 0.103 1.00 42.21 H new ATOM 0 HH12 ARG A 532 -8.532 -18.794 -1.006 1.00 42.21 H new ATOM 0 HH21 ARG A 532 -11.101 -20.346 0.832 1.00 32.35 H new ATOM 0 HH22 ARG A 532 -10.694 -19.390 -0.597 1.00 32.35 H new ATOM 492 N GLY A 533 -2.844 -19.683 4.744 1.00 31.43 N ATOM 493 CA GLY A 533 -1.433 -19.828 4.972 1.00 24.31 C ATOM 494 C GLY A 533 -0.798 -18.499 5.294 1.00 33.10 C ATOM 495 O GLY A 533 -1.510 -17.529 5.574 1.00 71.32 O ATOM 0 H GLY A 533 -3.124 -18.750 4.440 1.00 31.43 H new ATOM 0 HA2 GLY A 533 -1.263 -20.524 5.793 1.00 24.31 H new ATOM 0 HA3 GLY A 533 -0.960 -20.256 4.088 1.00 24.31 H new ATOM 499 N ASN A 534 0.518 -18.445 5.247 1.00 3.13 N ATOM 500 CA ASN A 534 1.276 -17.232 5.557 1.00 54.03 C ATOM 501 C ASN A 534 1.649 -16.503 4.263 1.00 4.20 C ATOM 502 O ASN A 534 2.088 -17.136 3.291 1.00 54.22 O ATOM 503 CB ASN A 534 2.548 -17.603 6.343 1.00 70.43 C ATOM 504 CG ASN A 534 3.362 -16.409 6.855 1.00 3.05 C ATOM 505 OD1 ASN A 534 4.582 -16.472 6.941 1.00 52.33 O ATOM 506 ND2 ASN A 534 2.707 -15.336 7.227 1.00 22.35 N ATOM 0 H ASN A 534 1.102 -19.241 4.992 1.00 3.13 H new ATOM 0 HA ASN A 534 0.661 -16.570 6.167 1.00 54.03 H new ATOM 0 HB2 ASN A 534 2.264 -18.222 7.194 1.00 70.43 H new ATOM 0 HB3 ASN A 534 3.187 -18.213 5.704 1.00 70.43 H new ATOM 0 HD21 ASN A 534 3.214 -14.532 7.597 1.00 22.35 H new ATOM 0 HD22 ASN A 534 1.691 -15.305 7.147 1.00 22.35 H new ATOM 513 N VAL A 535 1.457 -15.189 4.246 1.00 55.40 N ATOM 514 CA VAL A 535 1.739 -14.362 3.084 1.00 11.34 C ATOM 515 C VAL A 535 2.533 -13.116 3.510 1.00 25.34 C ATOM 516 O VAL A 535 2.180 -12.444 4.469 1.00 64.13 O ATOM 517 CB VAL A 535 0.426 -13.917 2.353 1.00 73.40 C ATOM 518 CG1 VAL A 535 0.737 -13.086 1.120 1.00 15.12 C ATOM 519 CG2 VAL A 535 -0.397 -15.118 1.949 1.00 42.43 C ATOM 0 H VAL A 535 1.099 -14.666 5.045 1.00 55.40 H new ATOM 0 HA VAL A 535 2.327 -14.961 2.389 1.00 11.34 H new ATOM 0 HB VAL A 535 -0.144 -13.308 3.055 1.00 73.40 H new ATOM 0 HG11 VAL A 535 -0.194 -12.793 0.635 1.00 15.12 H new ATOM 0 HG12 VAL A 535 1.291 -12.194 1.413 1.00 15.12 H new ATOM 0 HG13 VAL A 535 1.338 -13.675 0.427 1.00 15.12 H new ATOM 0 HG21 VAL A 535 -1.303 -14.785 1.443 1.00 42.43 H new ATOM 0 HG22 VAL A 535 0.184 -15.747 1.275 1.00 42.43 H new ATOM 0 HG23 VAL A 535 -0.666 -15.690 2.837 1.00 42.43 H new ATOM 529 N ILE A 536 3.593 -12.839 2.813 1.00 44.03 N ATOM 530 CA ILE A 536 4.441 -11.688 3.102 1.00 75.22 C ATOM 531 C ILE A 536 4.182 -10.583 2.090 1.00 72.14 C ATOM 532 O ILE A 536 4.014 -10.863 0.917 1.00 52.22 O ATOM 533 CB ILE A 536 5.935 -12.103 3.054 1.00 55.14 C ATOM 534 CG1 ILE A 536 6.243 -13.107 4.154 1.00 54.10 C ATOM 535 CG2 ILE A 536 6.861 -10.901 3.157 1.00 52.32 C ATOM 536 CD1 ILE A 536 6.103 -12.528 5.535 1.00 71.41 C ATOM 0 H ILE A 536 3.908 -13.399 2.021 1.00 44.03 H new ATOM 0 HA ILE A 536 4.205 -11.320 4.100 1.00 75.22 H new ATOM 0 HB ILE A 536 6.114 -12.571 2.086 1.00 55.14 H new ATOM 0 HG12 ILE A 536 5.574 -13.962 4.055 1.00 54.10 H new ATOM 0 HG13 ILE A 536 7.259 -13.480 4.024 1.00 54.10 H new ATOM 0 HG21 ILE A 536 7.898 -11.236 3.119 1.00 52.32 H new ATOM 0 HG22 ILE A 536 6.669 -10.222 2.327 1.00 52.32 H new ATOM 0 HG23 ILE A 536 6.681 -10.383 4.099 1.00 52.32 H new ATOM 0 HD11 ILE A 536 6.336 -13.293 6.276 1.00 71.41 H new ATOM 0 HD12 ILE A 536 6.791 -11.690 5.650 1.00 71.41 H new ATOM 0 HD13 ILE A 536 5.080 -12.180 5.682 1.00 71.41 H new ATOM 548 N VAL A 537 4.117 -9.348 2.547 1.00 75.03 N ATOM 549 CA VAL A 537 3.911 -8.209 1.659 1.00 23.35 C ATOM 550 C VAL A 537 5.011 -7.163 1.880 1.00 3.03 C ATOM 551 O VAL A 537 5.067 -6.542 2.936 1.00 71.30 O ATOM 552 CB VAL A 537 2.525 -7.538 1.877 1.00 65.34 C ATOM 553 CG1 VAL A 537 2.308 -6.391 0.894 1.00 53.31 C ATOM 554 CG2 VAL A 537 1.413 -8.552 1.746 1.00 3.44 C ATOM 0 H VAL A 537 4.204 -9.102 3.533 1.00 75.03 H new ATOM 0 HA VAL A 537 3.949 -8.589 0.638 1.00 23.35 H new ATOM 0 HB VAL A 537 2.510 -7.131 2.888 1.00 65.34 H new ATOM 0 HG11 VAL A 537 1.331 -5.941 1.070 1.00 53.31 H new ATOM 0 HG12 VAL A 537 3.085 -5.639 1.035 1.00 53.31 H new ATOM 0 HG13 VAL A 537 2.353 -6.773 -0.126 1.00 53.31 H new ATOM 0 HG21 VAL A 537 0.453 -8.061 1.902 1.00 3.44 H new ATOM 0 HG22 VAL A 537 1.438 -8.992 0.749 1.00 3.44 H new ATOM 0 HG23 VAL A 537 1.545 -9.336 2.492 1.00 3.44 H new ATOM 564 N PRO A 538 5.915 -6.985 0.918 1.00 22.31 N ATOM 565 CA PRO A 538 6.975 -5.987 1.017 1.00 22.31 C ATOM 566 C PRO A 538 6.448 -4.573 0.764 1.00 11.42 C ATOM 567 O PRO A 538 5.428 -4.392 0.103 1.00 3.13 O ATOM 568 CB PRO A 538 7.947 -6.396 -0.092 1.00 75.52 C ATOM 569 CG PRO A 538 7.091 -7.058 -1.109 1.00 14.24 C ATOM 570 CD PRO A 538 5.983 -7.737 -0.348 1.00 64.44 C ATOM 0 HA PRO A 538 7.426 -5.959 2.009 1.00 22.31 H new ATOM 0 HB2 PRO A 538 8.461 -5.530 -0.509 1.00 75.52 H new ATOM 0 HB3 PRO A 538 8.715 -7.073 0.282 1.00 75.52 H new ATOM 0 HG2 PRO A 538 6.690 -6.330 -1.814 1.00 14.24 H new ATOM 0 HG3 PRO A 538 7.664 -7.781 -1.689 1.00 14.24 H new ATOM 0 HD2 PRO A 538 5.039 -7.693 -0.891 1.00 64.44 H new ATOM 0 HD3 PRO A 538 6.203 -8.791 -0.176 1.00 64.44 H new ATOM 578 N TYR A 539 7.118 -3.594 1.305 1.00 72.03 N ATOM 579 CA TYR A 539 6.762 -2.211 1.103 1.00 24.41 C ATOM 580 C TYR A 539 8.013 -1.370 1.109 1.00 51.43 C ATOM 581 O TYR A 539 9.063 -1.817 1.605 1.00 62.21 O ATOM 582 CB TYR A 539 5.776 -1.711 2.182 1.00 53.15 C ATOM 583 CG TYR A 539 6.308 -1.716 3.607 1.00 32.35 C ATOM 584 CD1 TYR A 539 7.017 -0.632 4.113 1.00 62.11 C ATOM 585 CD2 TYR A 539 6.089 -2.795 4.440 1.00 10.14 C ATOM 586 CE1 TYR A 539 7.492 -0.632 5.402 1.00 61.32 C ATOM 587 CE2 TYR A 539 6.558 -2.802 5.736 1.00 3.51 C ATOM 588 CZ TYR A 539 7.262 -1.718 6.212 1.00 45.41 C ATOM 589 OH TYR A 539 7.736 -1.721 7.507 1.00 63.02 O ATOM 0 H TYR A 539 7.933 -3.731 1.903 1.00 72.03 H new ATOM 0 HA TYR A 539 6.260 -2.123 0.139 1.00 24.41 H new ATOM 0 HB2 TYR A 539 5.473 -0.695 1.929 1.00 53.15 H new ATOM 0 HB3 TYR A 539 4.879 -2.330 2.145 1.00 53.15 H new ATOM 0 HD1 TYR A 539 7.197 0.225 3.481 1.00 62.11 H new ATOM 0 HD2 TYR A 539 5.541 -3.648 4.070 1.00 10.14 H new ATOM 0 HE1 TYR A 539 8.044 0.217 5.777 1.00 61.32 H new ATOM 0 HE2 TYR A 539 6.374 -3.653 6.375 1.00 3.51 H new ATOM 0 HH TYR A 539 7.487 -2.562 7.945 1.00 63.02 H new ATOM 599 N LYS A 540 7.910 -0.180 0.580 1.00 22.34 N ATOM 600 CA LYS A 540 9.012 0.748 0.541 1.00 50.43 C ATOM 601 C LYS A 540 8.483 2.176 0.525 1.00 42.31 C ATOM 602 O LYS A 540 7.315 2.412 0.155 1.00 45.24 O ATOM 603 CB LYS A 540 9.855 0.513 -0.715 1.00 3.03 C ATOM 604 CG LYS A 540 9.072 0.689 -2.001 1.00 33.12 C ATOM 605 CD LYS A 540 9.963 0.621 -3.204 1.00 54.13 C ATOM 606 CE LYS A 540 9.170 0.904 -4.466 1.00 41.21 C ATOM 607 NZ LYS A 540 10.028 0.975 -5.664 1.00 72.41 N ATOM 0 H LYS A 540 7.052 0.177 0.160 1.00 22.34 H new ATOM 0 HA LYS A 540 9.630 0.594 1.426 1.00 50.43 H new ATOM 0 HB2 LYS A 540 10.698 1.204 -0.713 1.00 3.03 H new ATOM 0 HB3 LYS A 540 10.268 -0.495 -0.684 1.00 3.03 H new ATOM 0 HG2 LYS A 540 8.307 -0.084 -2.070 1.00 33.12 H new ATOM 0 HG3 LYS A 540 8.555 1.648 -1.984 1.00 33.12 H new ATOM 0 HD2 LYS A 540 10.773 1.344 -3.106 1.00 54.13 H new ATOM 0 HD3 LYS A 540 10.422 -0.365 -3.269 1.00 54.13 H new ATOM 0 HE2 LYS A 540 8.421 0.124 -4.604 1.00 41.21 H new ATOM 0 HE3 LYS A 540 8.632 1.845 -4.351 1.00 41.21 H new ATOM 0 HZ1 LYS A 540 9.441 1.170 -6.500 1.00 72.41 H new ATOM 0 HZ2 LYS A 540 10.727 1.736 -5.546 1.00 72.41 H new ATOM 0 HZ3 LYS A 540 10.522 0.069 -5.791 1.00 72.41 H new ATOM 621 N THR A 541 9.308 3.100 0.939 1.00 34.12 N ATOM 622 CA THR A 541 8.995 4.501 0.879 1.00 70.44 C ATOM 623 C THR A 541 9.661 5.149 -0.328 1.00 53.42 C ATOM 624 O THR A 541 10.880 5.059 -0.504 1.00 2.33 O ATOM 625 CB THR A 541 9.453 5.230 2.159 1.00 55.32 C ATOM 626 OG1 THR A 541 10.722 4.721 2.594 1.00 3.11 O ATOM 627 CG2 THR A 541 8.448 5.086 3.273 1.00 23.12 C ATOM 0 H THR A 541 10.227 2.898 1.332 1.00 34.12 H new ATOM 0 HA THR A 541 7.912 4.589 0.789 1.00 70.44 H new ATOM 0 HB THR A 541 9.544 6.289 1.915 1.00 55.32 H new ATOM 0 HG1 THR A 541 11.441 5.168 2.100 1.00 3.11 H new ATOM 0 HG21 THR A 541 8.807 5.613 4.157 1.00 23.12 H new ATOM 0 HG22 THR A 541 7.494 5.510 2.960 1.00 23.12 H new ATOM 0 HG23 THR A 541 8.315 4.030 3.509 1.00 23.12 H new ATOM 635 N ILE A 542 8.877 5.749 -1.171 1.00 35.53 N ATOM 636 CA ILE A 542 9.403 6.489 -2.284 1.00 12.03 C ATOM 637 C ILE A 542 9.573 7.916 -1.802 1.00 40.02 C ATOM 638 O ILE A 542 8.575 8.573 -1.491 1.00 62.31 O ATOM 639 CB ILE A 542 8.463 6.482 -3.555 1.00 31.33 C ATOM 640 CG1 ILE A 542 8.201 5.065 -4.119 1.00 14.53 C ATOM 641 CG2 ILE A 542 9.031 7.370 -4.655 1.00 60.30 C ATOM 642 CD1 ILE A 542 7.258 4.205 -3.307 1.00 1.01 C ATOM 0 H ILE A 542 7.859 5.742 -1.110 1.00 35.53 H new ATOM 0 HA ILE A 542 10.337 6.025 -2.602 1.00 12.03 H new ATOM 0 HB ILE A 542 7.505 6.876 -3.216 1.00 31.33 H new ATOM 0 HG12 ILE A 542 7.798 5.163 -5.127 1.00 14.53 H new ATOM 0 HG13 ILE A 542 9.155 4.545 -4.206 1.00 14.53 H new ATOM 0 HG21 ILE A 542 8.367 7.349 -5.519 1.00 60.30 H new ATOM 0 HG22 ILE A 542 9.117 8.393 -4.289 1.00 60.30 H new ATOM 0 HG23 ILE A 542 10.016 7.004 -4.946 1.00 60.30 H new ATOM 0 HD11 ILE A 542 7.144 3.234 -3.790 1.00 1.01 H new ATOM 0 HD12 ILE A 542 7.664 4.066 -2.305 1.00 1.01 H new ATOM 0 HD13 ILE A 542 6.286 4.694 -3.241 1.00 1.01 H new ATOM 654 N GLU A 543 10.823 8.358 -1.696 1.00 32.45 N ATOM 655 CA GLU A 543 11.174 9.701 -1.211 1.00 4.35 C ATOM 656 C GLU A 543 10.416 10.792 -1.963 1.00 61.44 C ATOM 657 O GLU A 543 9.802 11.673 -1.345 1.00 13.21 O ATOM 658 CB GLU A 543 12.684 9.915 -1.319 1.00 12.13 C ATOM 659 CG GLU A 543 13.489 9.063 -0.352 1.00 54.31 C ATOM 660 CD GLU A 543 14.967 9.042 -0.656 1.00 40.52 C ATOM 661 OE1 GLU A 543 15.601 10.120 -0.786 1.00 31.32 O ATOM 662 OE2 GLU A 543 15.526 7.921 -0.799 1.00 30.44 O ATOM 0 H GLU A 543 11.634 7.792 -1.946 1.00 32.45 H new ATOM 0 HA GLU A 543 10.878 9.770 -0.164 1.00 4.35 H new ATOM 0 HB2 GLU A 543 13.002 9.693 -2.338 1.00 12.13 H new ATOM 0 HB3 GLU A 543 12.908 10.966 -1.137 1.00 12.13 H new ATOM 0 HG2 GLU A 543 13.340 9.437 0.661 1.00 54.31 H new ATOM 0 HG3 GLU A 543 13.107 8.042 -0.374 1.00 54.31 H new ATOM 669 N GLY A 544 10.463 10.728 -3.278 1.00 52.44 N ATOM 670 CA GLY A 544 9.738 11.656 -4.111 1.00 61.33 C ATOM 671 C GLY A 544 10.274 13.060 -4.001 1.00 10.21 C ATOM 672 O GLY A 544 11.244 13.420 -4.668 1.00 71.42 O ATOM 0 H GLY A 544 11.003 10.034 -3.794 1.00 52.44 H new ATOM 0 HA2 GLY A 544 9.793 11.329 -5.149 1.00 61.33 H new ATOM 0 HA3 GLY A 544 8.685 11.648 -3.829 1.00 61.33 H new ATOM 676 N THR A 545 9.677 13.839 -3.144 1.00 61.10 N ATOM 677 CA THR A 545 10.079 15.206 -2.962 1.00 10.12 C ATOM 678 C THR A 545 10.544 15.445 -1.514 1.00 63.45 C ATOM 679 O THR A 545 10.773 16.584 -1.106 1.00 73.13 O ATOM 680 CB THR A 545 8.927 16.194 -3.370 1.00 14.31 C ATOM 681 OG1 THR A 545 9.311 17.566 -3.179 1.00 21.21 O ATOM 682 CG2 THR A 545 7.648 15.909 -2.602 1.00 21.41 C ATOM 0 H THR A 545 8.899 13.546 -2.553 1.00 61.10 H new ATOM 0 HA THR A 545 10.924 15.405 -3.621 1.00 10.12 H new ATOM 0 HB THR A 545 8.740 16.031 -4.431 1.00 14.31 H new ATOM 0 HG1 THR A 545 9.921 17.632 -2.415 1.00 21.21 H new ATOM 0 HG21 THR A 545 6.874 16.612 -2.911 1.00 21.41 H new ATOM 0 HG22 THR A 545 7.318 14.891 -2.810 1.00 21.41 H new ATOM 0 HG23 THR A 545 7.833 16.019 -1.533 1.00 21.41 H new ATOM 690 N ALA A 546 10.688 14.375 -0.750 1.00 50.25 N ATOM 691 CA ALA A 546 11.161 14.493 0.614 1.00 22.43 C ATOM 692 C ALA A 546 12.641 14.178 0.674 1.00 61.31 C ATOM 693 O ALA A 546 13.203 13.653 -0.296 1.00 64.51 O ATOM 694 CB ALA A 546 10.374 13.578 1.545 1.00 11.54 C ATOM 0 H ALA A 546 10.485 13.422 -1.051 1.00 50.25 H new ATOM 0 HA ALA A 546 11.006 15.518 0.950 1.00 22.43 H new ATOM 0 HB1 ALA A 546 10.749 13.685 2.563 1.00 11.54 H new ATOM 0 HB2 ALA A 546 9.319 13.850 1.516 1.00 11.54 H new ATOM 0 HB3 ALA A 546 10.491 12.543 1.223 1.00 11.54 H new ATOM 700 N ARG A 547 13.276 14.511 1.790 1.00 22.44 N ATOM 701 CA ARG A 547 14.684 14.236 1.971 1.00 64.22 C ATOM 702 C ARG A 547 14.842 12.738 2.255 1.00 72.52 C ATOM 703 O ARG A 547 13.854 12.069 2.552 1.00 22.42 O ATOM 704 CB ARG A 547 15.204 15.031 3.165 1.00 33.25 C ATOM 705 CG ARG A 547 16.684 15.355 3.117 1.00 2.23 C ATOM 706 CD ARG A 547 16.932 16.486 2.159 1.00 12.22 C ATOM 707 NE ARG A 547 16.257 17.708 2.621 1.00 34.13 N ATOM 708 CZ ARG A 547 15.456 18.487 1.887 1.00 44.44 C ATOM 709 NH1 ARG A 547 15.283 18.250 0.580 1.00 64.21 N ATOM 710 NH2 ARG A 547 14.835 19.504 2.467 1.00 34.25 N ATOM 0 H ARG A 547 12.831 14.973 2.583 1.00 22.44 H new ATOM 0 HA ARG A 547 15.245 14.517 1.080 1.00 64.22 H new ATOM 0 HB2 ARG A 547 14.644 15.964 3.234 1.00 33.25 H new ATOM 0 HB3 ARG A 547 14.999 14.468 4.076 1.00 33.25 H new ATOM 0 HG2 ARG A 547 17.038 15.626 4.112 1.00 2.23 H new ATOM 0 HG3 ARG A 547 17.247 14.475 2.807 1.00 2.23 H new ATOM 0 HD2 ARG A 547 18.003 16.667 2.069 1.00 12.22 H new ATOM 0 HD3 ARG A 547 16.570 16.216 1.167 1.00 12.22 H new ATOM 0 HE ARG A 547 16.414 17.987 3.590 1.00 34.13 H new ATOM 0 HH11 ARG A 547 15.765 17.469 0.135 1.00 64.21 H new ATOM 0 HH12 ARG A 547 14.669 18.851 0.030 1.00 64.21 H new ATOM 0 HH21 ARG A 547 14.971 19.684 3.462 1.00 34.25 H new ATOM 0 HH22 ARG A 547 14.221 20.106 1.919 1.00 34.25 H new ATOM 724 N GLY A 548 16.062 12.239 2.196 1.00 4.33 N ATOM 725 CA GLY A 548 16.317 10.830 2.414 1.00 44.32 C ATOM 726 C GLY A 548 16.003 10.345 3.825 1.00 21.52 C ATOM 727 O GLY A 548 15.627 11.137 4.722 1.00 55.24 O ATOM 0 H GLY A 548 16.895 12.793 1.998 1.00 4.33 H new ATOM 0 HA2 GLY A 548 15.726 10.252 1.704 1.00 44.32 H new ATOM 0 HA3 GLY A 548 17.365 10.625 2.197 1.00 44.32 H new ATOM 731 N GLY A 549 16.178 9.055 4.015 1.00 10.22 N ATOM 732 CA GLY A 549 15.888 8.404 5.265 1.00 21.54 C ATOM 733 C GLY A 549 16.632 8.982 6.451 1.00 44.10 C ATOM 734 O GLY A 549 17.852 9.176 6.414 1.00 32.55 O ATOM 0 H GLY A 549 16.530 8.425 3.294 1.00 10.22 H new ATOM 0 HA2 GLY A 549 14.817 8.468 5.456 1.00 21.54 H new ATOM 0 HA3 GLY A 549 16.133 7.346 5.177 1.00 21.54 H new ATOM 738 N GLY A 550 15.888 9.314 7.467 1.00 75.15 N ATOM 739 CA GLY A 550 16.454 9.807 8.689 1.00 70.33 C ATOM 740 C GLY A 550 16.489 11.312 8.744 1.00 32.54 C ATOM 741 O GLY A 550 16.769 11.886 9.788 1.00 13.43 O ATOM 0 H GLY A 550 14.870 9.250 7.471 1.00 75.15 H new ATOM 0 HA2 GLY A 550 15.875 9.429 9.532 1.00 70.33 H new ATOM 0 HA3 GLY A 550 17.467 9.419 8.799 1.00 70.33 H new ATOM 745 N GLU A 551 16.210 11.954 7.632 1.00 10.44 N ATOM 746 CA GLU A 551 16.237 13.393 7.595 1.00 74.11 C ATOM 747 C GLU A 551 14.861 13.940 7.922 1.00 14.23 C ATOM 748 O GLU A 551 14.645 14.486 8.994 1.00 31.41 O ATOM 749 CB GLU A 551 16.658 13.865 6.226 1.00 51.33 C ATOM 750 CG GLU A 551 17.997 13.344 5.754 1.00 75.31 C ATOM 751 CD GLU A 551 19.125 13.712 6.674 1.00 13.32 C ATOM 752 OE1 GLU A 551 19.329 14.910 6.925 1.00 32.53 O ATOM 753 OE2 GLU A 551 19.800 12.814 7.199 1.00 74.12 O ATOM 0 H GLU A 551 15.964 11.505 6.750 1.00 10.44 H new ATOM 0 HA GLU A 551 16.953 13.754 8.333 1.00 74.11 H new ATOM 0 HB2 GLU A 551 15.895 13.569 5.506 1.00 51.33 H new ATOM 0 HB3 GLU A 551 16.689 14.955 6.227 1.00 51.33 H new ATOM 0 HG2 GLU A 551 17.948 12.259 5.664 1.00 75.31 H new ATOM 0 HG3 GLU A 551 18.204 13.737 4.759 1.00 75.31 H new ATOM 760 N ASP A 552 13.926 13.764 6.998 1.00 44.12 N ATOM 761 CA ASP A 552 12.537 14.175 7.259 1.00 63.25 C ATOM 762 C ASP A 552 11.735 12.998 7.739 1.00 10.12 C ATOM 763 O ASP A 552 10.879 13.116 8.613 1.00 35.33 O ATOM 764 CB ASP A 552 11.814 14.746 6.026 1.00 0.43 C ATOM 765 CG ASP A 552 12.344 16.051 5.487 1.00 14.22 C ATOM 766 OD1 ASP A 552 12.565 17.023 6.270 1.00 50.13 O ATOM 767 OD2 ASP A 552 12.484 16.151 4.258 1.00 51.42 O ATOM 0 H ASP A 552 14.089 13.351 6.080 1.00 44.12 H new ATOM 0 HA ASP A 552 12.605 14.962 8.010 1.00 63.25 H new ATOM 0 HB2 ASP A 552 11.858 14.004 5.229 1.00 0.43 H new ATOM 0 HB3 ASP A 552 10.762 14.882 6.278 1.00 0.43 H new ATOM 772 N PHE A 553 12.009 11.855 7.170 1.00 50.13 N ATOM 773 CA PHE A 553 11.275 10.670 7.493 1.00 72.12 C ATOM 774 C PHE A 553 12.234 9.514 7.500 1.00 65.45 C ATOM 775 O PHE A 553 13.294 9.599 6.890 1.00 44.44 O ATOM 776 CB PHE A 553 10.147 10.436 6.463 1.00 71.41 C ATOM 777 CG PHE A 553 10.584 9.919 5.111 1.00 1.31 C ATOM 778 CD1 PHE A 553 11.053 10.770 4.132 1.00 21.01 C ATOM 779 CD2 PHE A 553 10.502 8.569 4.830 1.00 72.33 C ATOM 780 CE1 PHE A 553 11.433 10.279 2.896 1.00 50.42 C ATOM 781 CE2 PHE A 553 10.878 8.078 3.602 1.00 45.24 C ATOM 782 CZ PHE A 553 11.344 8.931 2.634 1.00 13.20 C ATOM 0 H PHE A 553 12.743 11.723 6.474 1.00 50.13 H new ATOM 0 HA PHE A 553 10.809 10.773 8.473 1.00 72.12 H new ATOM 0 HB2 PHE A 553 9.434 9.729 6.888 1.00 71.41 H new ATOM 0 HB3 PHE A 553 9.615 11.376 6.316 1.00 71.41 H new ATOM 0 HD1 PHE A 553 11.124 11.829 4.332 1.00 21.01 H new ATOM 0 HD2 PHE A 553 10.137 7.889 5.586 1.00 72.33 H new ATOM 0 HE1 PHE A 553 11.800 10.954 2.136 1.00 50.42 H new ATOM 0 HE2 PHE A 553 10.806 7.020 3.399 1.00 45.24 H new ATOM 0 HZ PHE A 553 11.640 8.546 1.669 1.00 13.20 H new ATOM 792 N GLU A 554 11.896 8.478 8.193 1.00 22.31 N ATOM 793 CA GLU A 554 12.709 7.296 8.256 1.00 34.44 C ATOM 794 C GLU A 554 12.294 6.419 7.073 1.00 4.35 C ATOM 795 O GLU A 554 11.125 6.031 6.957 1.00 0.34 O ATOM 796 CB GLU A 554 12.454 6.620 9.611 1.00 34.12 C ATOM 797 CG GLU A 554 13.467 5.575 10.092 1.00 40.11 C ATOM 798 CD GLU A 554 13.504 4.296 9.299 1.00 30.34 C ATOM 799 OE1 GLU A 554 12.666 3.405 9.544 1.00 61.24 O ATOM 800 OE2 GLU A 554 14.392 4.144 8.456 1.00 21.54 O ATOM 0 H GLU A 554 11.037 8.422 8.741 1.00 22.31 H new ATOM 0 HA GLU A 554 13.778 7.499 8.186 1.00 34.44 H new ATOM 0 HB2 GLU A 554 12.394 7.401 10.369 1.00 34.12 H new ATOM 0 HB3 GLU A 554 11.475 6.142 9.568 1.00 34.12 H new ATOM 0 HG2 GLU A 554 14.461 6.022 10.074 1.00 40.11 H new ATOM 0 HG3 GLU A 554 13.246 5.332 11.131 1.00 40.11 H new ATOM 807 N ASP A 555 13.231 6.183 6.180 1.00 52.02 N ATOM 808 CA ASP A 555 12.981 5.438 4.954 1.00 2.42 C ATOM 809 C ASP A 555 12.798 3.978 5.273 1.00 13.20 C ATOM 810 O ASP A 555 13.751 3.273 5.601 1.00 41.50 O ATOM 811 CB ASP A 555 14.124 5.642 3.952 1.00 15.33 C ATOM 812 CG ASP A 555 13.909 4.924 2.640 1.00 24.23 C ATOM 813 OD1 ASP A 555 13.177 5.441 1.777 1.00 24.31 O ATOM 814 OD2 ASP A 555 14.486 3.845 2.428 1.00 72.20 O ATOM 0 H ASP A 555 14.195 6.502 6.280 1.00 52.02 H new ATOM 0 HA ASP A 555 12.066 5.812 4.494 1.00 2.42 H new ATOM 0 HB2 ASP A 555 14.242 6.708 3.759 1.00 15.33 H new ATOM 0 HB3 ASP A 555 15.055 5.294 4.399 1.00 15.33 H new ATOM 819 N THR A 556 11.593 3.529 5.183 1.00 63.25 N ATOM 820 CA THR A 556 11.274 2.212 5.582 1.00 22.02 C ATOM 821 C THR A 556 11.021 1.311 4.384 1.00 64.52 C ATOM 822 O THR A 556 10.246 1.630 3.472 1.00 24.41 O ATOM 823 CB THR A 556 10.081 2.184 6.592 1.00 15.43 C ATOM 824 OG1 THR A 556 9.798 0.848 7.022 1.00 10.21 O ATOM 825 CG2 THR A 556 8.826 2.803 6.013 1.00 13.03 C ATOM 0 H THR A 556 10.804 4.070 4.829 1.00 63.25 H new ATOM 0 HA THR A 556 12.143 1.815 6.106 1.00 22.02 H new ATOM 0 HB THR A 556 10.391 2.781 7.450 1.00 15.43 H new ATOM 0 HG1 THR A 556 9.049 0.859 7.654 1.00 10.21 H new ATOM 0 HG21 THR A 556 8.025 2.760 6.751 1.00 13.03 H new ATOM 0 HG22 THR A 556 9.021 3.842 5.749 1.00 13.03 H new ATOM 0 HG23 THR A 556 8.527 2.252 5.121 1.00 13.03 H new ATOM 833 N CYS A 557 11.721 0.224 4.368 1.00 2.33 N ATOM 834 CA CYS A 557 11.550 -0.782 3.389 1.00 12.13 C ATOM 835 C CYS A 557 11.586 -2.121 4.104 1.00 72.42 C ATOM 836 O CYS A 557 12.627 -2.538 4.637 1.00 55.30 O ATOM 837 CB CYS A 557 12.617 -0.657 2.287 1.00 21.55 C ATOM 838 SG CYS A 557 14.336 -0.665 2.871 1.00 13.10 S ATOM 0 H CYS A 557 12.444 0.012 5.056 1.00 2.33 H new ATOM 0 HA CYS A 557 10.593 -0.680 2.878 1.00 12.13 H new ATOM 0 HB2 CYS A 557 12.486 -1.478 1.582 1.00 21.55 H new ATOM 0 HB3 CYS A 557 12.441 0.267 1.737 1.00 21.55 H new ATOM 0 HG CYS A 557 14.433 -1.423 3.923 1.00 13.10 H new ATOM 844 N GLY A 558 10.461 -2.763 4.171 1.00 53.53 N ATOM 845 CA GLY A 558 10.355 -3.961 4.923 1.00 3.42 C ATOM 846 C GLY A 558 9.285 -4.829 4.374 1.00 23.34 C ATOM 847 O GLY A 558 8.838 -4.619 3.239 1.00 70.32 O ATOM 0 H GLY A 558 9.601 -2.470 3.708 1.00 53.53 H new ATOM 0 HA2 GLY A 558 11.306 -4.493 4.906 1.00 3.42 H new ATOM 0 HA3 GLY A 558 10.140 -3.725 5.965 1.00 3.42 H new ATOM 851 N GLU A 559 8.843 -5.757 5.167 1.00 23.35 N ATOM 852 CA GLU A 559 7.868 -6.730 4.764 1.00 15.54 C ATOM 853 C GLU A 559 6.857 -6.969 5.885 1.00 21.13 C ATOM 854 O GLU A 559 7.231 -7.152 7.045 1.00 61.02 O ATOM 855 CB GLU A 559 8.582 -8.025 4.378 1.00 42.42 C ATOM 856 CG GLU A 559 9.395 -7.937 3.085 1.00 34.03 C ATOM 857 CD GLU A 559 10.262 -9.143 2.843 1.00 24.22 C ATOM 858 OE1 GLU A 559 11.404 -9.174 3.355 1.00 14.54 O ATOM 859 OE2 GLU A 559 9.837 -10.083 2.143 1.00 71.04 O ATOM 0 H GLU A 559 9.155 -5.863 6.132 1.00 23.35 H new ATOM 0 HA GLU A 559 7.317 -6.360 3.899 1.00 15.54 H new ATOM 0 HB2 GLU A 559 9.247 -8.316 5.192 1.00 42.42 H new ATOM 0 HB3 GLU A 559 7.841 -8.817 4.274 1.00 42.42 H new ATOM 0 HG2 GLU A 559 8.713 -7.813 2.243 1.00 34.03 H new ATOM 0 HG3 GLU A 559 10.024 -7.047 3.119 1.00 34.03 H new ATOM 866 N LEU A 560 5.600 -6.927 5.528 1.00 33.22 N ATOM 867 CA LEU A 560 4.495 -7.144 6.443 1.00 14.33 C ATOM 868 C LEU A 560 4.106 -8.600 6.411 1.00 72.43 C ATOM 869 O LEU A 560 4.154 -9.235 5.346 1.00 23.13 O ATOM 870 CB LEU A 560 3.283 -6.317 6.006 1.00 31.41 C ATOM 871 CG LEU A 560 3.455 -4.805 5.971 1.00 50.44 C ATOM 872 CD1 LEU A 560 2.231 -4.159 5.357 1.00 70.11 C ATOM 873 CD2 LEU A 560 3.689 -4.258 7.367 1.00 64.10 C ATOM 0 H LEU A 560 5.302 -6.737 4.571 1.00 33.22 H new ATOM 0 HA LEU A 560 4.803 -6.849 7.446 1.00 14.33 H new ATOM 0 HB2 LEU A 560 2.988 -6.648 5.010 1.00 31.41 H new ATOM 0 HB3 LEU A 560 2.455 -6.548 6.676 1.00 31.41 H new ATOM 0 HG LEU A 560 4.327 -4.571 5.360 1.00 50.44 H new ATOM 0 HD11 LEU A 560 2.362 -3.077 5.336 1.00 70.11 H new ATOM 0 HD12 LEU A 560 2.096 -4.528 4.340 1.00 70.11 H new ATOM 0 HD13 LEU A 560 1.352 -4.406 5.952 1.00 70.11 H new ATOM 0 HD21 LEU A 560 3.809 -3.176 7.318 1.00 64.10 H new ATOM 0 HD22 LEU A 560 2.836 -4.500 8.000 1.00 64.10 H new ATOM 0 HD23 LEU A 560 4.590 -4.705 7.786 1.00 64.10 H new ATOM 885 N GLU A 561 3.729 -9.129 7.540 1.00 45.33 N ATOM 886 CA GLU A 561 3.309 -10.491 7.613 1.00 14.10 C ATOM 887 C GLU A 561 1.783 -10.581 7.692 1.00 51.52 C ATOM 888 O GLU A 561 1.148 -9.989 8.570 1.00 71.50 O ATOM 889 CB GLU A 561 3.900 -11.172 8.831 1.00 1.54 C ATOM 890 CG GLU A 561 3.680 -12.666 8.835 1.00 53.30 C ATOM 891 CD GLU A 561 3.930 -13.294 10.165 1.00 53.24 C ATOM 892 OE1 GLU A 561 5.043 -13.184 10.703 1.00 0.41 O ATOM 893 OE2 GLU A 561 3.020 -13.953 10.685 1.00 22.45 O ATOM 0 H GLU A 561 3.706 -8.628 8.428 1.00 45.33 H new ATOM 0 HA GLU A 561 3.660 -10.992 6.711 1.00 14.10 H new ATOM 0 HB2 GLU A 561 4.970 -10.968 8.872 1.00 1.54 H new ATOM 0 HB3 GLU A 561 3.459 -10.743 9.731 1.00 1.54 H new ATOM 0 HG2 GLU A 561 2.656 -12.877 8.528 1.00 53.30 H new ATOM 0 HG3 GLU A 561 4.335 -13.125 8.095 1.00 53.30 H new ATOM 900 N PHE A 562 1.216 -11.294 6.775 1.00 60.12 N ATOM 901 CA PHE A 562 -0.190 -11.592 6.771 1.00 25.53 C ATOM 902 C PHE A 562 -0.355 -13.087 6.795 1.00 21.44 C ATOM 903 O PHE A 562 0.549 -13.818 6.408 1.00 12.53 O ATOM 904 CB PHE A 562 -0.877 -11.060 5.519 1.00 2.13 C ATOM 905 CG PHE A 562 -1.137 -9.586 5.474 1.00 24.31 C ATOM 906 CD1 PHE A 562 -2.322 -9.088 5.972 1.00 45.33 C ATOM 907 CD2 PHE A 562 -0.243 -8.714 4.883 1.00 3.24 C ATOM 908 CE1 PHE A 562 -2.618 -7.743 5.889 1.00 52.11 C ATOM 909 CE2 PHE A 562 -0.534 -7.367 4.783 1.00 71.23 C ATOM 910 CZ PHE A 562 -1.726 -6.881 5.287 1.00 45.52 C ATOM 0 H PHE A 562 1.723 -11.697 5.987 1.00 60.12 H new ATOM 0 HA PHE A 562 -0.643 -11.118 7.642 1.00 25.53 H new ATOM 0 HB2 PHE A 562 -0.266 -11.325 4.656 1.00 2.13 H new ATOM 0 HB3 PHE A 562 -1.829 -11.578 5.406 1.00 2.13 H new ATOM 0 HD1 PHE A 562 -3.029 -9.761 6.434 1.00 45.33 H new ATOM 0 HD2 PHE A 562 0.693 -9.089 4.495 1.00 3.24 H new ATOM 0 HE1 PHE A 562 -3.546 -7.366 6.294 1.00 52.11 H new ATOM 0 HE2 PHE A 562 0.168 -6.695 4.312 1.00 71.23 H new ATOM 0 HZ PHE A 562 -1.958 -5.829 5.209 1.00 45.52 H new ATOM 920 N GLN A 563 -1.474 -13.553 7.234 1.00 20.13 N ATOM 921 CA GLN A 563 -1.746 -14.962 7.225 1.00 32.53 C ATOM 922 C GLN A 563 -3.217 -15.195 7.384 1.00 3.50 C ATOM 923 O GLN A 563 -3.980 -14.252 7.472 1.00 43.12 O ATOM 924 CB GLN A 563 -0.936 -15.744 8.295 1.00 61.10 C ATOM 925 CG GLN A 563 -1.067 -15.226 9.707 1.00 21.04 C ATOM 926 CD GLN A 563 -0.457 -16.150 10.750 1.00 70.24 C ATOM 927 OE1 GLN A 563 -0.927 -16.211 11.881 1.00 63.32 O ATOM 928 NE2 GLN A 563 0.580 -16.867 10.393 1.00 51.22 N ATOM 0 H GLN A 563 -2.227 -12.977 7.609 1.00 20.13 H new ATOM 0 HA GLN A 563 -1.420 -15.351 6.260 1.00 32.53 H new ATOM 0 HB2 GLN A 563 -1.253 -16.787 8.277 1.00 61.10 H new ATOM 0 HB3 GLN A 563 0.117 -15.726 8.015 1.00 61.10 H new ATOM 0 HG2 GLN A 563 -0.588 -14.249 9.773 1.00 21.04 H new ATOM 0 HG3 GLN A 563 -2.123 -15.079 9.936 1.00 21.04 H new ATOM 0 HE21 GLN A 563 0.948 -16.794 9.445 1.00 51.22 H new ATOM 0 HE22 GLN A 563 1.019 -17.498 11.064 1.00 51.22 H new ATOM 937 N ASN A 564 -3.590 -16.439 7.413 1.00 60.32 N ATOM 938 CA ASN A 564 -4.974 -16.866 7.587 1.00 54.25 C ATOM 939 C ASN A 564 -5.519 -16.453 8.939 1.00 51.03 C ATOM 940 O ASN A 564 -6.679 -16.083 9.073 1.00 44.13 O ATOM 941 CB ASN A 564 -5.088 -18.399 7.430 1.00 72.52 C ATOM 942 CG ASN A 564 -4.234 -19.224 8.402 1.00 34.41 C ATOM 943 OD1 ASN A 564 -3.154 -18.796 8.843 1.00 52.41 O ATOM 944 ND2 ASN A 564 -4.686 -20.398 8.712 1.00 23.44 N ATOM 0 H ASN A 564 -2.936 -17.215 7.315 1.00 60.32 H new ATOM 0 HA ASN A 564 -5.566 -16.375 6.815 1.00 54.25 H new ATOM 0 HB2 ASN A 564 -6.132 -18.684 7.558 1.00 72.52 H new ATOM 0 HB3 ASN A 564 -4.808 -18.665 6.411 1.00 72.52 H new ATOM 0 HD21 ASN A 564 -4.151 -21.002 9.336 1.00 23.44 H new ATOM 0 HD22 ASN A 564 -5.577 -20.718 8.332 1.00 23.44 H new ATOM 951 N ASP A 565 -4.669 -16.503 9.922 1.00 74.51 N ATOM 952 CA ASP A 565 -5.074 -16.208 11.294 1.00 2.55 C ATOM 953 C ASP A 565 -4.919 -14.722 11.640 1.00 61.14 C ATOM 954 O ASP A 565 -5.543 -14.226 12.572 1.00 52.44 O ATOM 955 CB ASP A 565 -4.285 -17.089 12.278 1.00 52.53 C ATOM 956 CG ASP A 565 -4.715 -16.922 13.725 1.00 33.10 C ATOM 957 OD1 ASP A 565 -5.781 -17.461 14.110 1.00 22.42 O ATOM 958 OD2 ASP A 565 -3.963 -16.287 14.523 1.00 41.54 O ATOM 0 H ASP A 565 -3.684 -16.745 9.814 1.00 74.51 H new ATOM 0 HA ASP A 565 -6.135 -16.439 11.382 1.00 2.55 H new ATOM 0 HB2 ASP A 565 -4.403 -18.134 11.991 1.00 52.53 H new ATOM 0 HB3 ASP A 565 -3.224 -16.853 12.194 1.00 52.53 H new ATOM 963 N GLU A 566 -4.156 -14.000 10.857 1.00 71.35 N ATOM 964 CA GLU A 566 -3.868 -12.612 11.179 1.00 24.40 C ATOM 965 C GLU A 566 -4.567 -11.673 10.217 1.00 50.40 C ATOM 966 O GLU A 566 -4.442 -11.812 8.993 1.00 22.22 O ATOM 967 CB GLU A 566 -2.362 -12.343 11.132 1.00 11.51 C ATOM 968 CG GLU A 566 -1.969 -10.939 11.570 1.00 73.24 C ATOM 969 CD GLU A 566 -2.261 -10.680 13.030 1.00 52.13 C ATOM 970 OE1 GLU A 566 -3.445 -10.553 13.419 1.00 54.40 O ATOM 971 OE2 GLU A 566 -1.309 -10.578 13.821 1.00 54.43 O ATOM 0 H GLU A 566 -3.724 -14.340 9.998 1.00 71.35 H new ATOM 0 HA GLU A 566 -4.237 -12.431 12.188 1.00 24.40 H new ATOM 0 HB2 GLU A 566 -1.854 -13.067 11.770 1.00 11.51 H new ATOM 0 HB3 GLU A 566 -2.005 -12.508 10.115 1.00 11.51 H new ATOM 0 HG2 GLU A 566 -0.905 -10.789 11.384 1.00 73.24 H new ATOM 0 HG3 GLU A 566 -2.504 -10.210 10.962 1.00 73.24 H new ATOM 978 N ILE A 567 -5.280 -10.714 10.748 1.00 72.23 N ATOM 979 CA ILE A 567 -5.913 -9.753 9.922 1.00 62.43 C ATOM 980 C ILE A 567 -5.207 -8.427 10.091 1.00 15.21 C ATOM 981 O ILE A 567 -4.555 -8.197 11.122 1.00 60.30 O ATOM 982 CB ILE A 567 -7.419 -9.554 10.223 1.00 1.12 C ATOM 983 CG1 ILE A 567 -7.631 -8.876 11.577 1.00 5.22 C ATOM 984 CG2 ILE A 567 -8.150 -10.891 10.176 1.00 43.24 C ATOM 985 CD1 ILE A 567 -8.855 -8.004 11.598 1.00 2.23 C ATOM 0 H ILE A 567 -5.429 -10.589 11.749 1.00 72.23 H new ATOM 0 HA ILE A 567 -5.846 -10.129 8.901 1.00 62.43 H new ATOM 0 HB ILE A 567 -7.831 -8.900 9.455 1.00 1.12 H new ATOM 0 HG12 ILE A 567 -7.718 -9.638 12.352 1.00 5.22 H new ATOM 0 HG13 ILE A 567 -6.755 -8.274 11.819 1.00 5.22 H new ATOM 0 HG21 ILE A 567 -9.207 -10.735 10.390 1.00 43.24 H new ATOM 0 HG22 ILE A 567 -8.041 -11.331 9.185 1.00 43.24 H new ATOM 0 HG23 ILE A 567 -7.725 -11.564 10.920 1.00 43.24 H new ATOM 0 HD11 ILE A 567 -8.959 -7.547 12.582 1.00 2.23 H new ATOM 0 HD12 ILE A 567 -8.759 -7.223 10.843 1.00 2.23 H new ATOM 0 HD13 ILE A 567 -9.736 -8.609 11.384 1.00 2.23 H new ATOM 997 N VAL A 568 -5.395 -7.570 9.104 1.00 71.42 N ATOM 998 CA VAL A 568 -4.833 -6.217 8.986 1.00 23.25 C ATOM 999 C VAL A 568 -3.283 -6.112 9.234 1.00 70.11 C ATOM 1000 O VAL A 568 -2.626 -7.008 9.784 1.00 71.54 O ATOM 1001 CB VAL A 568 -5.624 -5.184 9.870 1.00 2.43 C ATOM 1002 CG1 VAL A 568 -5.139 -5.129 11.313 1.00 34.55 C ATOM 1003 CG2 VAL A 568 -5.648 -3.808 9.243 1.00 34.12 C ATOM 0 H VAL A 568 -5.983 -7.807 8.305 1.00 71.42 H new ATOM 0 HA VAL A 568 -4.964 -5.958 7.935 1.00 23.25 H new ATOM 0 HB VAL A 568 -6.649 -5.552 9.907 1.00 2.43 H new ATOM 0 HG11 VAL A 568 -5.727 -4.397 11.867 1.00 34.55 H new ATOM 0 HG12 VAL A 568 -5.254 -6.110 11.773 1.00 34.55 H new ATOM 0 HG13 VAL A 568 -4.088 -4.840 11.333 1.00 34.55 H new ATOM 0 HG21 VAL A 568 -6.204 -3.125 9.885 1.00 34.12 H new ATOM 0 HG22 VAL A 568 -4.627 -3.444 9.124 1.00 34.12 H new ATOM 0 HG23 VAL A 568 -6.130 -3.861 8.267 1.00 34.12 H new ATOM 1013 N LYS A 569 -2.720 -5.037 8.764 1.00 22.02 N ATOM 1014 CA LYS A 569 -1.340 -4.669 9.002 1.00 72.55 C ATOM 1015 C LYS A 569 -1.250 -3.191 8.904 1.00 3.31 C ATOM 1016 O LYS A 569 -2.169 -2.555 8.363 1.00 53.01 O ATOM 1017 CB LYS A 569 -0.355 -5.300 8.002 1.00 21.24 C ATOM 1018 CG LYS A 569 0.059 -6.762 8.246 1.00 74.21 C ATOM 1019 CD LYS A 569 1.180 -6.922 9.287 1.00 71.34 C ATOM 1020 CE LYS A 569 0.749 -6.668 10.729 1.00 44.10 C ATOM 1021 NZ LYS A 569 -0.306 -7.606 11.164 1.00 64.44 N ATOM 0 H LYS A 569 -3.220 -4.364 8.183 1.00 22.02 H new ATOM 0 HA LYS A 569 -1.058 -5.040 9.987 1.00 72.55 H new ATOM 0 HB2 LYS A 569 -0.797 -5.236 7.008 1.00 21.24 H new ATOM 0 HB3 LYS A 569 0.549 -4.691 7.989 1.00 21.24 H new ATOM 0 HG2 LYS A 569 -0.813 -7.327 8.575 1.00 74.21 H new ATOM 0 HG3 LYS A 569 0.386 -7.200 7.303 1.00 74.21 H new ATOM 0 HD2 LYS A 569 1.583 -7.932 9.215 1.00 71.34 H new ATOM 0 HD3 LYS A 569 1.990 -6.237 9.038 1.00 71.34 H new ATOM 0 HE2 LYS A 569 1.612 -6.763 11.388 1.00 44.10 H new ATOM 0 HE3 LYS A 569 0.386 -5.645 10.824 1.00 44.10 H new ATOM 0 HZ1 LYS A 569 -0.279 -7.704 12.199 1.00 64.44 H new ATOM 0 HZ2 LYS A 569 -1.236 -7.241 10.875 1.00 64.44 H new ATOM 0 HZ3 LYS A 569 -0.147 -8.535 10.724 1.00 64.44 H new ATOM 1035 N THR A 570 -0.198 -2.648 9.420 1.00 53.31 N ATOM 1036 CA THR A 570 0.031 -1.237 9.367 1.00 3.34 C ATOM 1037 C THR A 570 1.468 -0.940 9.019 1.00 71.04 C ATOM 1038 O THR A 570 2.386 -1.496 9.618 1.00 65.44 O ATOM 1039 CB THR A 570 -0.328 -0.548 10.702 1.00 40.12 C ATOM 1040 OG1 THR A 570 0.120 -1.333 11.812 1.00 40.45 O ATOM 1041 CG2 THR A 570 -1.809 -0.273 10.830 1.00 51.24 C ATOM 0 H THR A 570 0.536 -3.173 9.895 1.00 53.31 H new ATOM 0 HA THR A 570 -0.620 -0.838 8.589 1.00 3.34 H new ATOM 0 HB THR A 570 0.186 0.413 10.707 1.00 40.12 H new ATOM 0 HG1 THR A 570 0.230 -0.757 12.597 1.00 40.45 H new ATOM 0 HG21 THR A 570 -2.008 0.212 11.786 1.00 51.24 H new ATOM 0 HG22 THR A 570 -2.129 0.380 10.018 1.00 51.24 H new ATOM 0 HG23 THR A 570 -2.359 -1.212 10.778 1.00 51.24 H new ATOM 1049 N ILE A 571 1.681 -0.120 8.025 1.00 75.44 N ATOM 1050 CA ILE A 571 3.028 0.300 7.721 1.00 74.33 C ATOM 1051 C ILE A 571 3.395 1.382 8.701 1.00 41.04 C ATOM 1052 O ILE A 571 2.851 2.482 8.642 1.00 54.24 O ATOM 1053 CB ILE A 571 3.241 0.840 6.261 1.00 31.34 C ATOM 1054 CG1 ILE A 571 3.002 -0.227 5.190 1.00 0.32 C ATOM 1055 CG2 ILE A 571 4.641 1.389 6.100 1.00 22.41 C ATOM 1056 CD1 ILE A 571 1.573 -0.583 4.967 1.00 30.42 C ATOM 0 H ILE A 571 0.956 0.266 7.420 1.00 75.44 H new ATOM 0 HA ILE A 571 3.662 -0.583 7.798 1.00 74.33 H new ATOM 0 HB ILE A 571 2.503 1.629 6.118 1.00 31.34 H new ATOM 0 HG12 ILE A 571 3.425 0.123 4.248 1.00 0.32 H new ATOM 0 HG13 ILE A 571 3.547 -1.129 5.469 1.00 0.32 H new ATOM 0 HG21 ILE A 571 4.772 1.759 5.083 1.00 22.41 H new ATOM 0 HG22 ILE A 571 4.795 2.205 6.806 1.00 22.41 H new ATOM 0 HG23 ILE A 571 5.366 0.599 6.295 1.00 22.41 H new ATOM 0 HD11 ILE A 571 1.505 -1.346 4.191 1.00 30.42 H new ATOM 0 HD12 ILE A 571 1.145 -0.968 5.893 1.00 30.42 H new ATOM 0 HD13 ILE A 571 1.022 0.304 4.654 1.00 30.42 H new ATOM 1068 N SER A 572 4.236 1.047 9.625 1.00 40.11 N ATOM 1069 CA SER A 572 4.684 1.962 10.607 1.00 21.45 C ATOM 1070 C SER A 572 5.885 2.750 10.092 1.00 31.32 C ATOM 1071 O SER A 572 6.965 2.192 9.847 1.00 13.22 O ATOM 1072 CB SER A 572 4.985 1.187 11.889 1.00 61.21 C ATOM 1073 OG SER A 572 5.719 -0.001 11.606 1.00 3.31 O ATOM 0 H SER A 572 4.634 0.112 9.714 1.00 40.11 H new ATOM 0 HA SER A 572 3.912 2.699 10.830 1.00 21.45 H new ATOM 0 HB2 SER A 572 5.554 1.816 12.574 1.00 61.21 H new ATOM 0 HB3 SER A 572 4.052 0.932 12.392 1.00 61.21 H new ATOM 0 HG SER A 572 6.420 0.196 10.951 1.00 3.31 H new ATOM 1079 N VAL A 573 5.678 4.026 9.879 1.00 64.42 N ATOM 1080 CA VAL A 573 6.726 4.889 9.381 1.00 61.14 C ATOM 1081 C VAL A 573 7.076 5.903 10.442 1.00 35.23 C ATOM 1082 O VAL A 573 6.181 6.542 11.028 1.00 44.32 O ATOM 1083 CB VAL A 573 6.317 5.633 8.078 1.00 52.44 C ATOM 1084 CG1 VAL A 573 7.478 6.455 7.516 1.00 13.12 C ATOM 1085 CG2 VAL A 573 5.798 4.662 7.036 1.00 54.40 C ATOM 0 H VAL A 573 4.787 4.495 10.043 1.00 64.42 H new ATOM 0 HA VAL A 573 7.584 4.260 9.143 1.00 61.14 H new ATOM 0 HB VAL A 573 5.512 6.322 8.335 1.00 52.44 H new ATOM 0 HG11 VAL A 573 7.158 6.962 6.606 1.00 13.12 H new ATOM 0 HG12 VAL A 573 7.790 7.195 8.253 1.00 13.12 H new ATOM 0 HG13 VAL A 573 8.315 5.795 7.288 1.00 13.12 H new ATOM 0 HG21 VAL A 573 5.519 5.209 6.135 1.00 54.40 H new ATOM 0 HG22 VAL A 573 6.576 3.938 6.794 1.00 54.40 H new ATOM 0 HG23 VAL A 573 4.925 4.140 7.428 1.00 54.40 H new ATOM 1095 N LYS A 574 8.343 6.029 10.698 1.00 25.23 N ATOM 1096 CA LYS A 574 8.857 6.941 11.676 1.00 0.21 C ATOM 1097 C LYS A 574 9.074 8.309 11.057 1.00 61.42 C ATOM 1098 O LYS A 574 9.796 8.456 10.061 1.00 45.32 O ATOM 1099 CB LYS A 574 10.163 6.388 12.267 1.00 44.14 C ATOM 1100 CG LYS A 574 10.844 7.299 13.267 1.00 43.21 C ATOM 1101 CD LYS A 574 12.175 6.726 13.726 1.00 64.30 C ATOM 1102 CE LYS A 574 12.866 7.666 14.700 1.00 43.40 C ATOM 1103 NZ LYS A 574 14.191 7.167 15.130 1.00 23.24 N ATOM 0 H LYS A 574 9.065 5.488 10.222 1.00 25.23 H new ATOM 0 HA LYS A 574 8.132 7.049 12.483 1.00 0.21 H new ATOM 0 HB2 LYS A 574 9.951 5.435 12.751 1.00 44.14 H new ATOM 0 HB3 LYS A 574 10.857 6.184 11.451 1.00 44.14 H new ATOM 0 HG2 LYS A 574 11.004 8.279 12.818 1.00 43.21 H new ATOM 0 HG3 LYS A 574 10.193 7.446 14.129 1.00 43.21 H new ATOM 0 HD2 LYS A 574 12.014 5.758 14.201 1.00 64.30 H new ATOM 0 HD3 LYS A 574 12.818 6.554 12.863 1.00 64.30 H new ATOM 0 HE2 LYS A 574 12.984 8.644 14.233 1.00 43.40 H new ATOM 0 HE3 LYS A 574 12.233 7.805 15.576 1.00 43.40 H new ATOM 0 HZ1 LYS A 574 14.619 7.845 15.793 1.00 23.24 H new ATOM 0 HZ2 LYS A 574 14.079 6.246 15.600 1.00 23.24 H new ATOM 0 HZ3 LYS A 574 14.808 7.059 14.299 1.00 23.24 H new ATOM 1117 N VAL A 575 8.428 9.290 11.620 1.00 73.12 N ATOM 1118 CA VAL A 575 8.594 10.652 11.187 1.00 55.11 C ATOM 1119 C VAL A 575 9.728 11.242 12.003 1.00 1.53 C ATOM 1120 O VAL A 575 9.857 10.940 13.202 1.00 51.41 O ATOM 1121 CB VAL A 575 7.284 11.475 11.376 1.00 30.43 C ATOM 1122 CG1 VAL A 575 7.447 12.908 10.872 1.00 52.42 C ATOM 1123 CG2 VAL A 575 6.127 10.794 10.656 1.00 24.44 C ATOM 0 H VAL A 575 7.772 9.171 12.392 1.00 73.12 H new ATOM 0 HA VAL A 575 8.825 10.685 10.122 1.00 55.11 H new ATOM 0 HB VAL A 575 7.067 11.518 12.443 1.00 30.43 H new ATOM 0 HG11 VAL A 575 6.515 13.454 11.019 1.00 52.42 H new ATOM 0 HG12 VAL A 575 8.247 13.400 11.426 1.00 52.42 H new ATOM 0 HG13 VAL A 575 7.696 12.894 9.811 1.00 52.42 H new ATOM 0 HG21 VAL A 575 5.217 11.378 10.795 1.00 24.44 H new ATOM 0 HG22 VAL A 575 6.353 10.722 9.592 1.00 24.44 H new ATOM 0 HG23 VAL A 575 5.982 9.794 11.065 1.00 24.44 H new ATOM 1133 N ILE A 576 10.570 12.012 11.376 1.00 62.01 N ATOM 1134 CA ILE A 576 11.728 12.551 12.041 1.00 54.14 C ATOM 1135 C ILE A 576 11.447 14.012 12.355 1.00 73.53 C ATOM 1136 O ILE A 576 10.543 14.608 11.755 1.00 1.22 O ATOM 1137 CB ILE A 576 12.997 12.415 11.125 1.00 15.12 C ATOM 1138 CG1 ILE A 576 13.121 10.972 10.584 1.00 61.51 C ATOM 1139 CG2 ILE A 576 14.271 12.794 11.877 1.00 31.43 C ATOM 1140 CD1 ILE A 576 13.279 9.916 11.643 1.00 30.53 C ATOM 0 H ILE A 576 10.478 12.284 10.397 1.00 62.01 H new ATOM 0 HA ILE A 576 11.927 12.002 12.961 1.00 54.14 H new ATOM 0 HB ILE A 576 12.874 13.104 10.290 1.00 15.12 H new ATOM 0 HG12 ILE A 576 12.235 10.743 9.991 1.00 61.51 H new ATOM 0 HG13 ILE A 576 13.977 10.923 9.911 1.00 61.51 H new ATOM 0 HG21 ILE A 576 15.130 12.689 11.214 1.00 31.43 H new ATOM 0 HG22 ILE A 576 14.199 13.827 12.217 1.00 31.43 H new ATOM 0 HG23 ILE A 576 14.394 12.137 12.738 1.00 31.43 H new ATOM 0 HD11 ILE A 576 13.358 8.937 11.171 1.00 30.53 H new ATOM 0 HD12 ILE A 576 14.181 10.114 12.222 1.00 30.53 H new ATOM 0 HD13 ILE A 576 12.412 9.931 12.304 1.00 30.53 H new ATOM 1152 N ASP A 577 12.150 14.571 13.316 1.00 21.32 N ATOM 1153 CA ASP A 577 11.972 15.979 13.656 1.00 41.45 C ATOM 1154 C ASP A 577 12.462 16.833 12.500 1.00 33.12 C ATOM 1155 O ASP A 577 13.585 16.665 12.009 1.00 52.20 O ATOM 1156 CB ASP A 577 12.655 16.362 14.989 1.00 31.53 C ATOM 1157 CG ASP A 577 14.160 16.232 14.991 1.00 54.24 C ATOM 1158 OD1 ASP A 577 14.672 15.092 15.052 1.00 22.14 O ATOM 1159 OD2 ASP A 577 14.861 17.269 14.996 1.00 55.42 O ATOM 0 H ASP A 577 12.848 14.082 13.877 1.00 21.32 H new ATOM 0 HA ASP A 577 10.910 16.164 13.814 1.00 41.45 H new ATOM 0 HB2 ASP A 577 12.393 17.392 15.232 1.00 31.53 H new ATOM 0 HB3 ASP A 577 12.249 15.734 15.782 1.00 31.53 H new ATOM 1164 N ASP A 578 11.613 17.714 12.044 1.00 44.01 N ATOM 1165 CA ASP A 578 11.876 18.477 10.839 1.00 10.51 C ATOM 1166 C ASP A 578 12.882 19.579 11.118 1.00 3.34 C ATOM 1167 O ASP A 578 12.754 20.326 12.096 1.00 52.14 O ATOM 1168 CB ASP A 578 10.577 19.049 10.292 1.00 51.13 C ATOM 1169 CG ASP A 578 10.633 19.391 8.827 1.00 61.31 C ATOM 1170 OD1 ASP A 578 11.641 19.011 8.141 1.00 24.14 O ATOM 1171 OD2 ASP A 578 9.631 19.999 8.307 1.00 33.13 O ATOM 0 H ASP A 578 10.721 17.928 12.490 1.00 44.01 H new ATOM 0 HA ASP A 578 12.304 17.815 10.086 1.00 10.51 H new ATOM 0 HB2 ASP A 578 9.776 18.329 10.457 1.00 51.13 H new ATOM 0 HB3 ASP A 578 10.320 19.946 10.855 1.00 51.13 H new ATOM 1176 N GLU A 579 13.881 19.653 10.289 1.00 23.25 N ATOM 1177 CA GLU A 579 14.975 20.581 10.456 1.00 14.21 C ATOM 1178 C GLU A 579 14.771 21.926 9.722 1.00 14.15 C ATOM 1179 O GLU A 579 15.174 22.980 10.232 1.00 31.44 O ATOM 1180 CB GLU A 579 16.318 19.935 10.026 1.00 13.01 C ATOM 1181 CG GLU A 579 16.421 19.494 8.549 1.00 35.05 C ATOM 1182 CD GLU A 579 15.635 18.239 8.187 1.00 3.05 C ATOM 1183 OE1 GLU A 579 14.355 18.311 8.043 1.00 32.05 O ATOM 1184 OE2 GLU A 579 16.262 17.195 7.981 1.00 33.21 O ATOM 0 H GLU A 579 13.966 19.063 9.462 1.00 23.25 H new ATOM 0 HA GLU A 579 15.004 20.813 11.521 1.00 14.21 H new ATOM 0 HB2 GLU A 579 17.120 20.645 10.228 1.00 13.01 H new ATOM 0 HB3 GLU A 579 16.497 19.064 10.657 1.00 13.01 H new ATOM 0 HG2 GLU A 579 16.077 20.313 7.918 1.00 35.05 H new ATOM 0 HG3 GLU A 579 17.471 19.327 8.309 1.00 35.05 H new ATOM 1191 N GLU A 580 14.143 21.910 8.555 1.00 10.22 N ATOM 1192 CA GLU A 580 14.028 23.132 7.765 1.00 45.22 C ATOM 1193 C GLU A 580 12.567 23.532 7.586 1.00 71.51 C ATOM 1194 O GLU A 580 11.671 22.869 8.133 1.00 70.22 O ATOM 1195 CB GLU A 580 14.743 23.001 6.379 1.00 54.10 C ATOM 1196 CG GLU A 580 14.093 22.055 5.332 1.00 74.14 C ATOM 1197 CD GLU A 580 14.166 20.573 5.643 1.00 22.55 C ATOM 1198 OE1 GLU A 580 13.300 20.048 6.376 1.00 71.14 O ATOM 1199 OE2 GLU A 580 15.058 19.886 5.129 1.00 54.01 O ATOM 0 H GLU A 580 13.713 21.084 8.139 1.00 10.22 H new ATOM 0 HA GLU A 580 14.535 23.922 8.319 1.00 45.22 H new ATOM 0 HB2 GLU A 580 14.812 23.996 5.939 1.00 54.10 H new ATOM 0 HB3 GLU A 580 15.763 22.659 6.556 1.00 54.10 H new ATOM 0 HG2 GLU A 580 13.045 22.332 5.222 1.00 74.14 H new ATOM 0 HG3 GLU A 580 14.571 22.228 4.368 1.00 74.14 H new ATOM 1206 N TYR A 581 12.325 24.634 6.856 1.00 24.41 N ATOM 1207 CA TYR A 581 10.965 25.046 6.533 1.00 43.01 C ATOM 1208 C TYR A 581 10.449 24.056 5.523 1.00 41.51 C ATOM 1209 O TYR A 581 11.242 23.491 4.753 1.00 44.31 O ATOM 1210 CB TYR A 581 10.895 26.484 5.941 1.00 70.55 C ATOM 1211 CG TYR A 581 11.223 26.611 4.446 1.00 61.13 C ATOM 1212 CD1 TYR A 581 12.531 26.711 3.998 1.00 3.31 C ATOM 1213 CD2 TYR A 581 10.196 26.628 3.487 1.00 75.30 C ATOM 1214 CE1 TYR A 581 12.819 26.823 2.646 1.00 24.24 C ATOM 1215 CE2 TYR A 581 10.478 26.738 2.141 1.00 2.24 C ATOM 1216 CZ TYR A 581 11.788 26.837 1.725 1.00 3.10 C ATOM 1217 OH TYR A 581 12.073 26.937 0.377 1.00 73.13 O ATOM 0 H TYR A 581 13.052 25.245 6.485 1.00 24.41 H new ATOM 0 HA TYR A 581 10.366 25.064 7.444 1.00 43.01 H new ATOM 0 HB2 TYR A 581 9.892 26.876 6.108 1.00 70.55 H new ATOM 0 HB3 TYR A 581 11.582 27.120 6.499 1.00 70.55 H new ATOM 0 HD1 TYR A 581 13.340 26.702 4.714 1.00 3.31 H new ATOM 0 HD2 TYR A 581 9.168 26.554 3.809 1.00 75.30 H new ATOM 0 HE1 TYR A 581 13.844 26.899 2.314 1.00 24.24 H new ATOM 0 HE2 TYR A 581 9.676 26.746 1.417 1.00 2.24 H new ATOM 0 HH TYR A 581 11.238 26.932 -0.135 1.00 73.13 H new ATOM 1227 N GLU A 582 9.188 23.846 5.469 1.00 43.03 N ATOM 1228 CA GLU A 582 8.710 22.839 4.607 1.00 54.14 C ATOM 1229 C GLU A 582 7.379 23.211 4.003 1.00 74.04 C ATOM 1230 O GLU A 582 6.547 23.852 4.636 1.00 50.50 O ATOM 1231 CB GLU A 582 8.644 21.544 5.393 1.00 2.21 C ATOM 1232 CG GLU A 582 8.238 20.323 4.623 1.00 33.54 C ATOM 1233 CD GLU A 582 8.311 19.124 5.488 1.00 20.43 C ATOM 1234 OE1 GLU A 582 7.650 19.115 6.556 1.00 53.43 O ATOM 1235 OE2 GLU A 582 9.036 18.205 5.167 1.00 33.13 O ATOM 0 H GLU A 582 8.479 24.349 6.003 1.00 43.03 H new ATOM 0 HA GLU A 582 9.389 22.715 3.763 1.00 54.14 H new ATOM 0 HB2 GLU A 582 9.624 21.361 5.835 1.00 2.21 H new ATOM 0 HB3 GLU A 582 7.943 21.678 6.217 1.00 2.21 H new ATOM 0 HG2 GLU A 582 7.224 20.445 4.243 1.00 33.54 H new ATOM 0 HG3 GLU A 582 8.889 20.196 3.758 1.00 33.54 H new ATOM 1242 N LYS A 583 7.223 22.859 2.756 1.00 25.51 N ATOM 1243 CA LYS A 583 5.982 23.030 2.061 1.00 61.25 C ATOM 1244 C LYS A 583 5.236 21.718 2.181 1.00 20.23 C ATOM 1245 O LYS A 583 5.736 20.785 2.817 1.00 41.32 O ATOM 1246 CB LYS A 583 6.238 23.362 0.590 1.00 22.11 C ATOM 1247 CG LYS A 583 7.019 24.645 0.374 1.00 0.22 C ATOM 1248 CD LYS A 583 7.281 24.889 -1.098 1.00 60.12 C ATOM 1249 CE LYS A 583 8.061 26.171 -1.307 1.00 33.25 C ATOM 1250 NZ LYS A 583 8.384 26.397 -2.728 1.00 23.20 N ATOM 0 H LYS A 583 7.962 22.442 2.191 1.00 25.51 H new ATOM 0 HA LYS A 583 5.404 23.851 2.485 1.00 61.25 H new ATOM 0 HB2 LYS A 583 6.782 22.536 0.131 1.00 22.11 H new ATOM 0 HB3 LYS A 583 5.281 23.440 0.074 1.00 22.11 H new ATOM 0 HG2 LYS A 583 6.464 25.485 0.791 1.00 0.22 H new ATOM 0 HG3 LYS A 583 7.967 24.591 0.910 1.00 0.22 H new ATOM 0 HD2 LYS A 583 7.836 24.049 -1.516 1.00 60.12 H new ATOM 0 HD3 LYS A 583 6.334 24.944 -1.635 1.00 60.12 H new ATOM 0 HE2 LYS A 583 7.482 27.013 -0.929 1.00 33.25 H new ATOM 0 HE3 LYS A 583 8.983 26.133 -0.727 1.00 33.25 H new ATOM 0 HZ1 LYS A 583 8.918 27.284 -2.826 1.00 23.20 H new ATOM 0 HZ2 LYS A 583 8.959 25.606 -3.083 1.00 23.20 H new ATOM 0 HZ3 LYS A 583 7.504 26.460 -3.278 1.00 23.20 H new ATOM 1264 N ASN A 584 4.075 21.615 1.614 1.00 44.22 N ATOM 1265 CA ASN A 584 3.351 20.360 1.676 1.00 73.11 C ATOM 1266 C ASN A 584 3.989 19.374 0.729 1.00 54.23 C ATOM 1267 O ASN A 584 3.745 19.405 -0.486 1.00 20.12 O ATOM 1268 CB ASN A 584 1.866 20.529 1.350 1.00 34.31 C ATOM 1269 CG ASN A 584 1.079 21.352 2.364 1.00 61.54 C ATOM 1270 OD1 ASN A 584 0.111 22.021 2.001 1.00 24.31 O ATOM 1271 ND2 ASN A 584 1.468 21.320 3.622 1.00 41.43 N ATOM 0 H ASN A 584 3.604 22.365 1.108 1.00 44.22 H new ATOM 0 HA ASN A 584 3.407 19.987 2.699 1.00 73.11 H new ATOM 0 HB2 ASN A 584 1.775 21.000 0.371 1.00 34.31 H new ATOM 0 HB3 ASN A 584 1.411 19.542 1.272 1.00 34.31 H new ATOM 0 HD21 ASN A 584 0.963 21.859 4.326 1.00 41.43 H new ATOM 0 HD22 ASN A 584 2.274 20.756 3.892 1.00 41.43 H new ATOM 1278 N LYS A 585 4.873 18.575 1.253 1.00 41.03 N ATOM 1279 CA LYS A 585 5.556 17.603 0.464 1.00 65.02 C ATOM 1280 C LYS A 585 4.955 16.245 0.716 1.00 11.34 C ATOM 1281 O LYS A 585 4.152 16.077 1.645 1.00 14.34 O ATOM 1282 CB LYS A 585 7.104 17.654 0.701 1.00 61.24 C ATOM 1283 CG LYS A 585 7.636 17.310 2.108 1.00 21.14 C ATOM 1284 CD LYS A 585 7.554 15.834 2.422 1.00 10.40 C ATOM 1285 CE LYS A 585 8.180 15.502 3.760 1.00 11.23 C ATOM 1286 NZ LYS A 585 9.540 16.064 3.882 1.00 62.15 N ATOM 0 H LYS A 585 5.137 18.582 2.238 1.00 41.03 H new ATOM 0 HA LYS A 585 5.423 17.830 -0.594 1.00 65.02 H new ATOM 0 HB2 LYS A 585 7.572 16.972 -0.008 1.00 61.24 H new ATOM 0 HB3 LYS A 585 7.447 18.658 0.451 1.00 61.24 H new ATOM 0 HG2 LYS A 585 8.673 17.637 2.189 1.00 21.14 H new ATOM 0 HG3 LYS A 585 7.067 17.867 2.852 1.00 21.14 H new ATOM 0 HD2 LYS A 585 6.510 15.521 2.423 1.00 10.40 H new ATOM 0 HD3 LYS A 585 8.056 15.268 1.637 1.00 10.40 H new ATOM 0 HE2 LYS A 585 7.552 15.891 4.562 1.00 11.23 H new ATOM 0 HE3 LYS A 585 8.221 14.420 3.884 1.00 11.23 H new ATOM 0 HZ1 LYS A 585 10.199 15.317 4.183 1.00 62.15 H new ATOM 0 HZ2 LYS A 585 9.843 16.443 2.962 1.00 62.15 H new ATOM 0 HZ3 LYS A 585 9.538 16.828 4.587 1.00 62.15 H new ATOM 1300 N THR A 586 5.337 15.284 -0.067 1.00 5.34 N ATOM 1301 CA THR A 586 4.789 13.982 0.058 1.00 13.24 C ATOM 1302 C THR A 586 5.762 12.928 -0.397 1.00 24.02 C ATOM 1303 O THR A 586 6.652 13.181 -1.227 1.00 13.23 O ATOM 1304 CB THR A 586 3.395 13.878 -0.673 1.00 22.01 C ATOM 1305 OG1 THR A 586 2.920 12.542 -0.720 1.00 62.01 O ATOM 1306 CG2 THR A 586 3.421 14.461 -2.069 1.00 2.10 C ATOM 0 H THR A 586 6.034 15.385 -0.805 1.00 5.34 H new ATOM 0 HA THR A 586 4.604 13.794 1.116 1.00 13.24 H new ATOM 0 HB THR A 586 2.707 14.474 -0.074 1.00 22.01 H new ATOM 0 HG1 THR A 586 3.026 12.126 0.161 1.00 62.01 H new ATOM 0 HG21 THR A 586 2.435 14.362 -2.523 1.00 2.10 H new ATOM 0 HG22 THR A 586 3.692 15.515 -2.018 1.00 2.10 H new ATOM 0 HG23 THR A 586 4.154 13.927 -2.673 1.00 2.10 H new ATOM 1314 N PHE A 587 5.638 11.803 0.233 1.00 54.30 N ATOM 1315 CA PHE A 587 6.358 10.630 -0.077 1.00 63.32 C ATOM 1316 C PHE A 587 5.362 9.519 -0.217 1.00 53.30 C ATOM 1317 O PHE A 587 4.286 9.555 0.411 1.00 70.30 O ATOM 1318 CB PHE A 587 7.488 10.324 0.929 1.00 24.04 C ATOM 1319 CG PHE A 587 7.186 10.521 2.397 1.00 4.45 C ATOM 1320 CD1 PHE A 587 6.372 9.655 3.101 1.00 2.22 C ATOM 1321 CD2 PHE A 587 7.789 11.555 3.076 1.00 1.11 C ATOM 1322 CE1 PHE A 587 6.173 9.828 4.466 1.00 14.44 C ATOM 1323 CE2 PHE A 587 7.589 11.735 4.425 1.00 51.24 C ATOM 1324 CZ PHE A 587 6.785 10.865 5.123 1.00 40.11 C ATOM 0 H PHE A 587 4.996 11.682 1.016 1.00 54.30 H new ATOM 0 HA PHE A 587 6.893 10.761 -1.017 1.00 63.32 H new ATOM 0 HB2 PHE A 587 7.796 9.288 0.785 1.00 24.04 H new ATOM 0 HB3 PHE A 587 8.344 10.949 0.674 1.00 24.04 H new ATOM 0 HD1 PHE A 587 5.887 8.838 2.588 1.00 2.22 H new ATOM 0 HD2 PHE A 587 8.431 12.238 2.540 1.00 1.11 H new ATOM 0 HE1 PHE A 587 5.536 9.146 5.009 1.00 14.44 H new ATOM 0 HE2 PHE A 587 8.064 12.560 4.936 1.00 51.24 H new ATOM 0 HZ PHE A 587 6.636 10.998 6.184 1.00 40.11 H new ATOM 1334 N PHE A 588 5.669 8.568 -1.033 1.00 65.21 N ATOM 1335 CA PHE A 588 4.697 7.578 -1.398 1.00 0.40 C ATOM 1336 C PHE A 588 5.027 6.262 -0.767 1.00 24.13 C ATOM 1337 O PHE A 588 6.185 5.858 -0.729 1.00 74.15 O ATOM 1338 CB PHE A 588 4.657 7.437 -2.926 1.00 43.44 C ATOM 1339 CG PHE A 588 4.721 8.766 -3.633 1.00 30.21 C ATOM 1340 CD1 PHE A 588 3.693 9.684 -3.525 1.00 24.01 C ATOM 1341 CD2 PHE A 588 5.833 9.100 -4.385 1.00 54.44 C ATOM 1342 CE1 PHE A 588 3.775 10.910 -4.149 1.00 24.20 C ATOM 1343 CE2 PHE A 588 5.919 10.320 -5.016 1.00 64.14 C ATOM 1344 CZ PHE A 588 4.889 11.227 -4.898 1.00 25.14 C ATOM 0 H PHE A 588 6.586 8.450 -1.464 1.00 65.21 H new ATOM 0 HA PHE A 588 3.717 7.894 -1.039 1.00 0.40 H new ATOM 0 HB2 PHE A 588 5.491 6.816 -3.252 1.00 43.44 H new ATOM 0 HB3 PHE A 588 3.742 6.919 -3.215 1.00 43.44 H new ATOM 0 HD1 PHE A 588 2.816 9.438 -2.945 1.00 24.01 H new ATOM 0 HD2 PHE A 588 6.645 8.394 -4.478 1.00 54.44 H new ATOM 0 HE1 PHE A 588 2.968 11.621 -4.052 1.00 24.20 H new ATOM 0 HE2 PHE A 588 6.792 10.566 -5.602 1.00 64.14 H new ATOM 0 HZ PHE A 588 4.954 12.185 -5.392 1.00 25.14 H new ATOM 1354 N LEU A 589 4.038 5.620 -0.242 1.00 53.15 N ATOM 1355 CA LEU A 589 4.214 4.312 0.309 1.00 11.45 C ATOM 1356 C LEU A 589 3.652 3.354 -0.717 1.00 23.14 C ATOM 1357 O LEU A 589 2.538 3.563 -1.223 1.00 42.30 O ATOM 1358 CB LEU A 589 3.449 4.180 1.642 1.00 62.25 C ATOM 1359 CG LEU A 589 3.995 3.182 2.687 1.00 72.11 C ATOM 1360 CD1 LEU A 589 4.085 1.760 2.163 1.00 3.51 C ATOM 1361 CD2 LEU A 589 5.328 3.654 3.206 1.00 34.53 C ATOM 0 H LEU A 589 3.087 5.983 -0.181 1.00 53.15 H new ATOM 0 HA LEU A 589 5.263 4.105 0.520 1.00 11.45 H new ATOM 0 HB2 LEU A 589 3.412 5.165 2.107 1.00 62.25 H new ATOM 0 HB3 LEU A 589 2.422 3.897 1.413 1.00 62.25 H new ATOM 0 HG LEU A 589 3.279 3.154 3.508 1.00 72.11 H new ATOM 0 HD11 LEU A 589 4.475 1.108 2.945 1.00 3.51 H new ATOM 0 HD12 LEU A 589 3.093 1.418 1.867 1.00 3.51 H new ATOM 0 HD13 LEU A 589 4.751 1.732 1.301 1.00 3.51 H new ATOM 0 HD21 LEU A 589 5.704 2.943 3.942 1.00 34.53 H new ATOM 0 HD22 LEU A 589 6.035 3.729 2.379 1.00 34.53 H new ATOM 0 HD23 LEU A 589 5.211 4.632 3.673 1.00 34.53 H new ATOM 1373 N GLU A 590 4.405 2.361 -1.065 1.00 64.35 N ATOM 1374 CA GLU A 590 3.954 1.396 -2.020 1.00 44.51 C ATOM 1375 C GLU A 590 4.236 0.006 -1.500 1.00 51.43 C ATOM 1376 O GLU A 590 5.352 -0.282 -1.052 1.00 10.43 O ATOM 1377 CB GLU A 590 4.635 1.635 -3.378 1.00 72.33 C ATOM 1378 CG GLU A 590 4.124 0.766 -4.519 1.00 20.25 C ATOM 1379 CD GLU A 590 4.811 1.077 -5.831 1.00 14.44 C ATOM 1380 OE1 GLU A 590 4.394 2.020 -6.523 1.00 32.32 O ATOM 1381 OE2 GLU A 590 5.791 0.384 -6.191 1.00 11.33 O ATOM 0 H GLU A 590 5.343 2.195 -0.700 1.00 64.35 H new ATOM 0 HA GLU A 590 2.879 1.499 -2.167 1.00 44.51 H new ATOM 0 HB2 GLU A 590 4.505 2.682 -3.653 1.00 72.33 H new ATOM 0 HB3 GLU A 590 5.706 1.466 -3.265 1.00 72.33 H new ATOM 0 HG2 GLU A 590 4.279 -0.284 -4.270 1.00 20.25 H new ATOM 0 HG3 GLU A 590 3.050 0.912 -4.631 1.00 20.25 H new ATOM 1388 N ILE A 591 3.210 -0.810 -1.480 1.00 30.44 N ATOM 1389 CA ILE A 591 3.332 -2.201 -1.116 1.00 64.01 C ATOM 1390 C ILE A 591 3.511 -3.002 -2.388 1.00 52.45 C ATOM 1391 O ILE A 591 2.854 -2.718 -3.405 1.00 41.42 O ATOM 1392 CB ILE A 591 2.117 -2.719 -0.283 1.00 71.20 C ATOM 1393 CG1 ILE A 591 0.783 -2.389 -0.971 1.00 42.10 C ATOM 1394 CG2 ILE A 591 2.155 -2.165 1.138 1.00 72.14 C ATOM 1395 CD1 ILE A 591 -0.444 -2.859 -0.216 1.00 22.41 C ATOM 0 H ILE A 591 2.260 -0.525 -1.718 1.00 30.44 H new ATOM 0 HA ILE A 591 4.198 -2.321 -0.465 1.00 64.01 H new ATOM 0 HB ILE A 591 2.195 -3.805 -0.224 1.00 71.20 H new ATOM 0 HG12 ILE A 591 0.717 -1.310 -1.111 1.00 42.10 H new ATOM 0 HG13 ILE A 591 0.779 -2.840 -1.963 1.00 42.10 H new ATOM 0 HG21 ILE A 591 1.298 -2.540 1.698 1.00 72.14 H new ATOM 0 HG22 ILE A 591 3.076 -2.482 1.628 1.00 72.14 H new ATOM 0 HG23 ILE A 591 2.118 -1.076 1.105 1.00 72.14 H new ATOM 0 HD11 ILE A 591 -1.341 -2.585 -0.772 1.00 22.41 H new ATOM 0 HD12 ILE A 591 -0.406 -3.942 -0.099 1.00 22.41 H new ATOM 0 HD13 ILE A 591 -0.469 -2.389 0.767 1.00 22.41 H new ATOM 1407 N GLY A 592 4.389 -3.957 -2.346 1.00 2.52 N ATOM 1408 CA GLY A 592 4.761 -4.667 -3.530 1.00 65.11 C ATOM 1409 C GLY A 592 4.056 -5.981 -3.733 1.00 62.03 C ATOM 1410 O GLY A 592 2.886 -6.149 -3.386 1.00 11.33 O ATOM 0 H GLY A 592 4.864 -4.264 -1.497 1.00 2.52 H new ATOM 0 HA2 GLY A 592 4.566 -4.031 -4.393 1.00 65.11 H new ATOM 0 HA3 GLY A 592 5.835 -4.849 -3.504 1.00 65.11 H new ATOM 1414 N GLU A 593 4.792 -6.898 -4.293 1.00 63.21 N ATOM 1415 CA GLU A 593 4.309 -8.196 -4.690 1.00 31.12 C ATOM 1416 C GLU A 593 4.356 -9.158 -3.493 1.00 23.25 C ATOM 1417 O GLU A 593 5.416 -9.382 -2.915 1.00 51.32 O ATOM 1418 CB GLU A 593 5.211 -8.676 -5.813 1.00 11.25 C ATOM 1419 CG GLU A 593 4.819 -9.959 -6.496 1.00 55.44 C ATOM 1420 CD GLU A 593 5.873 -10.355 -7.496 1.00 10.22 C ATOM 1421 OE1 GLU A 593 7.027 -10.623 -7.053 1.00 45.02 O ATOM 1422 OE2 GLU A 593 5.597 -10.369 -8.710 1.00 45.33 O ATOM 0 H GLU A 593 5.782 -6.760 -4.494 1.00 63.21 H new ATOM 0 HA GLU A 593 3.274 -8.151 -5.030 1.00 31.12 H new ATOM 0 HB2 GLU A 593 5.261 -7.891 -6.568 1.00 11.25 H new ATOM 0 HB3 GLU A 593 6.217 -8.798 -5.412 1.00 11.25 H new ATOM 0 HG2 GLU A 593 4.692 -10.750 -5.757 1.00 55.44 H new ATOM 0 HG3 GLU A 593 3.859 -9.835 -6.997 1.00 55.44 H new ATOM 1429 N PRO A 594 3.205 -9.695 -3.091 1.00 11.21 N ATOM 1430 CA PRO A 594 3.101 -10.589 -1.940 1.00 2.03 C ATOM 1431 C PRO A 594 3.686 -11.998 -2.178 1.00 12.31 C ATOM 1432 O PRO A 594 3.757 -12.489 -3.304 1.00 52.23 O ATOM 1433 CB PRO A 594 1.605 -10.663 -1.675 1.00 5.24 C ATOM 1434 CG PRO A 594 0.964 -10.341 -2.972 1.00 12.43 C ATOM 1435 CD PRO A 594 1.904 -9.457 -3.727 1.00 42.04 C ATOM 0 HA PRO A 594 3.684 -10.207 -1.102 1.00 2.03 H new ATOM 0 HB2 PRO A 594 1.315 -11.655 -1.328 1.00 5.24 H new ATOM 0 HB3 PRO A 594 1.307 -9.955 -0.902 1.00 5.24 H new ATOM 0 HG2 PRO A 594 0.757 -11.251 -3.535 1.00 12.43 H new ATOM 0 HG3 PRO A 594 0.009 -9.840 -2.814 1.00 12.43 H new ATOM 0 HD2 PRO A 594 1.926 -9.711 -4.787 1.00 42.04 H new ATOM 0 HD3 PRO A 594 1.611 -8.410 -3.656 1.00 42.04 H new ATOM 1443 N ARG A 595 4.062 -12.646 -1.094 1.00 3.11 N ATOM 1444 CA ARG A 595 4.715 -13.940 -1.116 1.00 45.15 C ATOM 1445 C ARG A 595 3.817 -14.963 -0.462 1.00 33.25 C ATOM 1446 O ARG A 595 3.504 -14.808 0.714 1.00 23.33 O ATOM 1447 CB ARG A 595 5.944 -13.898 -0.209 1.00 44.02 C ATOM 1448 CG ARG A 595 6.885 -12.719 -0.378 1.00 40.43 C ATOM 1449 CD ARG A 595 7.899 -12.919 -1.470 1.00 34.43 C ATOM 1450 NE ARG A 595 7.307 -13.015 -2.809 1.00 11.54 N ATOM 1451 CZ ARG A 595 7.376 -12.055 -3.746 1.00 53.25 C ATOM 1452 NH1 ARG A 595 7.918 -10.864 -3.457 1.00 54.24 N ATOM 1453 NH2 ARG A 595 6.897 -12.284 -4.955 1.00 13.53 N ATOM 0 H ARG A 595 3.919 -12.280 -0.153 1.00 3.11 H new ATOM 0 HA ARG A 595 4.954 -14.181 -2.152 1.00 45.15 H new ATOM 0 HB2 ARG A 595 5.602 -13.913 0.826 1.00 44.02 H new ATOM 0 HB3 ARG A 595 6.515 -14.813 -0.369 1.00 44.02 H new ATOM 0 HG2 ARG A 595 6.301 -11.825 -0.594 1.00 40.43 H new ATOM 0 HG3 ARG A 595 7.405 -12.540 0.563 1.00 40.43 H new ATOM 0 HD2 ARG A 595 8.607 -12.091 -1.453 1.00 34.43 H new ATOM 0 HD3 ARG A 595 8.466 -13.827 -1.266 1.00 34.43 H new ATOM 0 HE ARG A 595 6.807 -13.872 -3.045 1.00 11.54 H new ATOM 0 HH11 ARG A 595 8.281 -10.682 -2.521 1.00 54.24 H new ATOM 0 HH12 ARG A 595 7.968 -10.139 -4.173 1.00 54.24 H new ATOM 0 HH21 ARG A 595 6.477 -13.187 -5.174 1.00 13.53 H new ATOM 0 HH22 ARG A 595 6.947 -11.558 -5.669 1.00 13.53 H new ATOM 1467 N LEU A 596 3.384 -15.976 -1.170 1.00 20.23 N ATOM 1468 CA LEU A 596 2.720 -17.063 -0.489 1.00 41.31 C ATOM 1469 C LEU A 596 3.845 -17.935 0.038 1.00 72.21 C ATOM 1470 O LEU A 596 4.632 -18.476 -0.751 1.00 54.21 O ATOM 1471 CB LEU A 596 1.852 -17.907 -1.424 1.00 12.35 C ATOM 1472 CG LEU A 596 0.544 -18.468 -0.815 1.00 70.22 C ATOM 1473 CD1 LEU A 596 0.713 -18.957 0.634 1.00 15.22 C ATOM 1474 CD2 LEU A 596 -0.560 -17.447 -0.931 1.00 1.32 C ATOM 0 H LEU A 596 3.473 -16.073 -2.181 1.00 20.23 H new ATOM 0 HA LEU A 596 2.056 -16.671 0.282 1.00 41.31 H new ATOM 0 HB2 LEU A 596 1.594 -17.302 -2.293 1.00 12.35 H new ATOM 0 HB3 LEU A 596 2.450 -18.744 -1.785 1.00 12.35 H new ATOM 0 HG LEU A 596 0.271 -19.351 -1.392 1.00 70.22 H new ATOM 0 HD11 LEU A 596 -0.239 -19.338 1.003 1.00 15.22 H new ATOM 0 HD12 LEU A 596 1.458 -19.752 0.665 1.00 15.22 H new ATOM 0 HD13 LEU A 596 1.040 -18.128 1.262 1.00 15.22 H new ATOM 0 HD21 LEU A 596 -1.476 -17.851 -0.500 1.00 1.32 H new ATOM 0 HD22 LEU A 596 -0.276 -16.541 -0.396 1.00 1.32 H new ATOM 0 HD23 LEU A 596 -0.727 -17.210 -1.982 1.00 1.32 H new ATOM 1486 N VAL A 597 3.938 -18.084 1.330 1.00 3.41 N ATOM 1487 CA VAL A 597 5.077 -18.775 1.918 1.00 3.35 C ATOM 1488 C VAL A 597 4.907 -20.309 1.925 1.00 65.35 C ATOM 1489 O VAL A 597 4.770 -20.938 2.967 1.00 73.22 O ATOM 1490 CB VAL A 597 5.403 -18.266 3.328 1.00 30.21 C ATOM 1491 CG1 VAL A 597 6.737 -18.822 3.841 1.00 21.31 C ATOM 1492 CG2 VAL A 597 5.382 -16.745 3.400 1.00 40.03 C ATOM 0 H VAL A 597 3.250 -17.743 2.001 1.00 3.41 H new ATOM 0 HA VAL A 597 5.923 -18.542 1.271 1.00 3.35 H new ATOM 0 HB VAL A 597 4.617 -18.638 3.985 1.00 30.21 H new ATOM 0 HG11 VAL A 597 6.931 -18.437 4.842 1.00 21.31 H new ATOM 0 HG12 VAL A 597 6.689 -19.910 3.873 1.00 21.31 H new ATOM 0 HG13 VAL A 597 7.541 -18.514 3.172 1.00 21.31 H new ATOM 0 HG21 VAL A 597 5.618 -16.426 4.415 1.00 40.03 H new ATOM 0 HG22 VAL A 597 6.121 -16.338 2.710 1.00 40.03 H new ATOM 0 HG23 VAL A 597 4.392 -16.381 3.126 1.00 40.03 H new ATOM 2055 N ARG A 633 -1.063 -17.314 -7.222 1.00 72.13 N ATOM 2056 CA ARG A 633 -0.309 -16.392 -6.407 1.00 74.41 C ATOM 2057 C ARG A 633 -1.182 -15.269 -5.840 1.00 20.30 C ATOM 2058 O ARG A 633 -2.234 -14.929 -6.400 1.00 44.30 O ATOM 2059 CB ARG A 633 0.858 -15.793 -7.194 1.00 2.35 C ATOM 2060 CG ARG A 633 1.905 -16.807 -7.578 1.00 20.44 C ATOM 2061 CD ARG A 633 3.162 -16.151 -8.115 1.00 35.33 C ATOM 2062 NE ARG A 633 3.059 -15.625 -9.471 1.00 54.55 N ATOM 2063 CZ ARG A 633 4.021 -15.728 -10.414 1.00 21.11 C ATOM 2064 NH1 ARG A 633 5.226 -16.232 -10.123 1.00 43.34 N ATOM 2065 NH2 ARG A 633 3.792 -15.233 -11.607 1.00 54.05 N ATOM 0 HA ARG A 633 0.081 -16.968 -5.568 1.00 74.41 H new ATOM 0 HB2 ARG A 633 0.473 -15.320 -8.097 1.00 2.35 H new ATOM 0 HB3 ARG A 633 1.324 -15.009 -6.598 1.00 2.35 H new ATOM 0 HG2 ARG A 633 2.156 -17.415 -6.709 1.00 20.44 H new ATOM 0 HG3 ARG A 633 1.498 -17.481 -8.332 1.00 20.44 H new ATOM 0 HD2 ARG A 633 3.441 -15.336 -7.447 1.00 35.33 H new ATOM 0 HD3 ARG A 633 3.973 -16.879 -8.086 1.00 35.33 H new ATOM 0 HE ARG A 633 2.197 -15.144 -9.727 1.00 54.55 H new ATOM 0 HH11 ARG A 633 5.432 -16.547 -9.175 1.00 43.34 H new ATOM 0 HH12 ARG A 633 5.939 -16.301 -10.849 1.00 43.34 H new ATOM 0 HH21 ARG A 633 2.900 -14.780 -11.809 1.00 54.05 H new ATOM 0 HH22 ARG A 633 4.505 -15.301 -12.333 1.00 54.05 H new ATOM 2079 N PRO A 634 -0.792 -14.713 -4.689 1.00 31.31 N ATOM 2080 CA PRO A 634 -1.453 -13.560 -4.143 1.00 72.21 C ATOM 2081 C PRO A 634 -1.009 -12.311 -4.900 1.00 1.22 C ATOM 2082 O PRO A 634 0.114 -12.250 -5.383 1.00 12.52 O ATOM 2083 CB PRO A 634 -0.976 -13.523 -2.686 1.00 4.21 C ATOM 2084 CG PRO A 634 0.359 -14.183 -2.705 1.00 72.04 C ATOM 2085 CD PRO A 634 0.322 -15.181 -3.831 1.00 35.44 C ATOM 0 HA PRO A 634 -2.540 -13.601 -4.219 1.00 72.21 H new ATOM 0 HB2 PRO A 634 -0.906 -12.499 -2.319 1.00 4.21 H new ATOM 0 HB3 PRO A 634 -1.668 -14.050 -2.030 1.00 4.21 H new ATOM 0 HG2 PRO A 634 1.152 -13.451 -2.860 1.00 72.04 H new ATOM 0 HG3 PRO A 634 0.562 -14.677 -1.755 1.00 72.04 H new ATOM 0 HD2 PRO A 634 1.265 -15.201 -4.377 1.00 35.44 H new ATOM 0 HD3 PRO A 634 0.145 -16.192 -3.463 1.00 35.44 H new ATOM 2093 N ILE A 635 -1.871 -11.332 -5.015 1.00 23.35 N ATOM 2094 CA ILE A 635 -1.538 -10.125 -5.750 1.00 74.24 C ATOM 2095 C ILE A 635 -2.018 -8.906 -5.002 1.00 71.31 C ATOM 2096 O ILE A 635 -2.494 -9.004 -3.864 1.00 24.51 O ATOM 2097 CB ILE A 635 -2.199 -10.087 -7.140 1.00 61.21 C ATOM 2098 CG1 ILE A 635 -3.696 -10.311 -6.998 1.00 20.33 C ATOM 2099 CG2 ILE A 635 -1.573 -11.101 -8.080 1.00 41.41 C ATOM 2100 CD1 ILE A 635 -4.485 -9.789 -8.144 1.00 45.21 C ATOM 0 H ILE A 635 -2.808 -11.341 -4.612 1.00 23.35 H new ATOM 0 HA ILE A 635 -0.454 -10.127 -5.860 1.00 74.24 H new ATOM 0 HB ILE A 635 -2.032 -9.104 -7.581 1.00 61.21 H new ATOM 0 HG12 ILE A 635 -3.887 -11.379 -6.892 1.00 20.33 H new ATOM 0 HG13 ILE A 635 -4.042 -9.833 -6.081 1.00 20.33 H new ATOM 0 HG21 ILE A 635 -2.063 -11.047 -9.052 1.00 41.41 H new ATOM 0 HG22 ILE A 635 -0.512 -10.882 -8.196 1.00 41.41 H new ATOM 0 HG23 ILE A 635 -1.694 -12.103 -7.668 1.00 41.41 H new ATOM 0 HD11 ILE A 635 -5.544 -9.983 -7.975 1.00 45.21 H new ATOM 0 HD12 ILE A 635 -4.324 -8.715 -8.238 1.00 45.21 H new ATOM 0 HD13 ILE A 635 -4.167 -10.285 -9.061 1.00 45.21 H new ATOM 2112 N LEU A 636 -1.922 -7.776 -5.649 1.00 24.00 N ATOM 2113 CA LEU A 636 -2.377 -6.549 -5.088 1.00 63.03 C ATOM 2114 C LEU A 636 -3.835 -6.320 -5.440 1.00 42.53 C ATOM 2115 O LEU A 636 -4.375 -6.977 -6.332 1.00 42.53 O ATOM 2116 CB LEU A 636 -1.452 -5.342 -5.454 1.00 15.51 C ATOM 2117 CG LEU A 636 -1.405 -4.782 -6.917 1.00 55.11 C ATOM 2118 CD1 LEU A 636 -1.256 -5.854 -7.967 1.00 61.44 C ATOM 2119 CD2 LEU A 636 -2.566 -3.841 -7.231 1.00 11.24 C ATOM 0 H LEU A 636 -1.523 -7.688 -6.584 1.00 24.00 H new ATOM 0 HA LEU A 636 -2.314 -6.626 -4.003 1.00 63.03 H new ATOM 0 HB2 LEU A 636 -1.733 -4.514 -4.803 1.00 15.51 H new ATOM 0 HB3 LEU A 636 -0.434 -5.626 -5.187 1.00 15.51 H new ATOM 0 HG LEU A 636 -0.493 -4.186 -6.959 1.00 55.11 H new ATOM 0 HD11 LEU A 636 -1.231 -5.394 -8.955 1.00 61.44 H new ATOM 0 HD12 LEU A 636 -0.329 -6.403 -7.798 1.00 61.44 H new ATOM 0 HD13 LEU A 636 -2.100 -6.541 -7.908 1.00 61.44 H new ATOM 0 HD21 LEU A 636 -2.479 -3.486 -8.258 1.00 11.24 H new ATOM 0 HD22 LEU A 636 -3.509 -4.374 -7.110 1.00 11.24 H new ATOM 0 HD23 LEU A 636 -2.540 -2.991 -6.550 1.00 11.24 H new ATOM 2131 N GLY A 637 -4.454 -5.412 -4.740 1.00 50.22 N ATOM 2132 CA GLY A 637 -5.851 -5.144 -4.926 1.00 40.35 C ATOM 2133 C GLY A 637 -6.122 -4.227 -6.077 1.00 11.52 C ATOM 2134 O GLY A 637 -5.995 -4.618 -7.241 1.00 1.22 O ATOM 0 H GLY A 637 -4.005 -4.838 -4.026 1.00 50.22 H new ATOM 0 HA2 GLY A 637 -6.378 -6.085 -5.086 1.00 40.35 H new ATOM 0 HA3 GLY A 637 -6.255 -4.704 -4.015 1.00 40.35 H new ATOM 2138 N GLU A 638 -6.473 -3.013 -5.782 1.00 61.24 N ATOM 2139 CA GLU A 638 -6.816 -2.099 -6.823 1.00 35.43 C ATOM 2140 C GLU A 638 -5.741 -1.053 -7.001 1.00 3.43 C ATOM 2141 O GLU A 638 -5.213 -0.877 -8.103 1.00 53.45 O ATOM 2142 CB GLU A 638 -8.176 -1.476 -6.540 1.00 33.42 C ATOM 2143 CG GLU A 638 -8.731 -0.634 -7.679 1.00 53.03 C ATOM 2144 CD GLU A 638 -8.717 -1.368 -9.010 1.00 52.43 C ATOM 2145 OE1 GLU A 638 -9.218 -2.506 -9.095 1.00 11.32 O ATOM 2146 OE2 GLU A 638 -8.207 -0.799 -10.000 1.00 73.04 O ATOM 0 H GLU A 638 -6.529 -2.636 -4.836 1.00 61.24 H new ATOM 0 HA GLU A 638 -6.885 -2.644 -7.765 1.00 35.43 H new ATOM 0 HB2 GLU A 638 -8.886 -2.271 -6.313 1.00 33.42 H new ATOM 0 HB3 GLU A 638 -8.098 -0.854 -5.649 1.00 33.42 H new ATOM 0 HG2 GLU A 638 -9.753 -0.338 -7.442 1.00 53.03 H new ATOM 0 HG3 GLU A 638 -8.146 0.282 -7.767 1.00 53.03 H new ATOM 2153 N HIS A 639 -5.395 -0.379 -5.941 1.00 41.44 N ATOM 2154 CA HIS A 639 -4.389 0.648 -6.033 1.00 23.32 C ATOM 2155 C HIS A 639 -3.377 0.534 -4.910 1.00 13.42 C ATOM 2156 O HIS A 639 -3.711 0.629 -3.713 1.00 75.51 O ATOM 2157 CB HIS A 639 -5.003 2.077 -6.105 1.00 51.22 C ATOM 2158 CG HIS A 639 -5.792 2.499 -4.895 1.00 55.51 C ATOM 2159 ND1 HIS A 639 -5.308 3.343 -3.917 1.00 54.40 N ATOM 2160 CD2 HIS A 639 -7.039 2.160 -4.507 1.00 51.14 C ATOM 2161 CE1 HIS A 639 -6.249 3.476 -2.988 1.00 74.45 C ATOM 2162 NE2 HIS A 639 -7.324 2.780 -3.297 1.00 4.20 N ATOM 0 H HIS A 639 -5.788 -0.518 -5.010 1.00 41.44 H new ATOM 0 HA HIS A 639 -3.862 0.487 -6.973 1.00 23.32 H new ATOM 0 HB2 HIS A 639 -4.197 2.794 -6.261 1.00 51.22 H new ATOM 0 HB3 HIS A 639 -5.652 2.132 -6.979 1.00 51.22 H new ATOM 0 HD2 HIS A 639 -7.709 1.510 -5.051 1.00 51.14 H new ATOM 0 HE1 HIS A 639 -6.146 4.076 -2.096 1.00 74.45 H new ATOM 0 HE2 HIS A 639 -8.188 2.711 -2.759 1.00 4.20 H new ATOM 2170 N THR A 640 -2.171 0.273 -5.269 1.00 34.23 N ATOM 2171 CA THR A 640 -1.133 0.251 -4.318 1.00 54.22 C ATOM 2172 C THR A 640 -0.311 1.510 -4.455 1.00 71.23 C ATOM 2173 O THR A 640 0.624 1.586 -5.255 1.00 11.31 O ATOM 2174 CB THR A 640 -0.278 -1.007 -4.479 1.00 64.11 C ATOM 2175 OG1 THR A 640 0.035 -1.196 -5.869 1.00 2.34 O ATOM 2176 CG2 THR A 640 -1.029 -2.212 -3.970 1.00 61.32 C ATOM 0 H THR A 640 -1.883 0.070 -6.226 1.00 34.23 H new ATOM 0 HA THR A 640 -1.555 0.220 -3.314 1.00 54.22 H new ATOM 0 HB THR A 640 0.641 -0.889 -3.905 1.00 64.11 H new ATOM 0 HG1 THR A 640 0.405 -0.366 -6.237 1.00 2.34 H new ATOM 0 HG21 THR A 640 -0.412 -3.102 -4.089 1.00 61.32 H new ATOM 0 HG22 THR A 640 -1.267 -2.074 -2.915 1.00 61.32 H new ATOM 0 HG23 THR A 640 -1.952 -2.332 -4.537 1.00 61.32 H new ATOM 2184 N LYS A 641 -0.701 2.504 -3.705 1.00 73.25 N ATOM 2185 CA LYS A 641 -0.074 3.787 -3.720 1.00 45.30 C ATOM 2186 C LYS A 641 -0.682 4.555 -2.583 1.00 61.25 C ATOM 2187 O LYS A 641 -1.905 4.633 -2.465 1.00 70.43 O ATOM 2188 CB LYS A 641 -0.379 4.506 -5.058 1.00 33.33 C ATOM 2189 CG LYS A 641 0.496 5.728 -5.418 1.00 71.34 C ATOM 2190 CD LYS A 641 0.319 6.899 -4.470 1.00 53.41 C ATOM 2191 CE LYS A 641 0.944 8.169 -5.017 1.00 44.33 C ATOM 2192 NZ LYS A 641 0.213 8.686 -6.196 1.00 65.21 N ATOM 0 H LYS A 641 -1.482 2.438 -3.053 1.00 73.25 H new ATOM 0 HA LYS A 641 1.008 3.706 -3.621 1.00 45.30 H new ATOM 0 HB2 LYS A 641 -0.287 3.776 -5.862 1.00 33.33 H new ATOM 0 HB3 LYS A 641 -1.420 4.830 -5.038 1.00 33.33 H new ATOM 0 HG2 LYS A 641 1.544 5.427 -5.419 1.00 71.34 H new ATOM 0 HG3 LYS A 641 0.256 6.051 -6.431 1.00 71.34 H new ATOM 0 HD2 LYS A 641 -0.744 7.065 -4.292 1.00 53.41 H new ATOM 0 HD3 LYS A 641 0.770 6.658 -3.507 1.00 53.41 H new ATOM 0 HE2 LYS A 641 0.958 8.930 -4.237 1.00 44.33 H new ATOM 0 HE3 LYS A 641 1.981 7.974 -5.291 1.00 44.33 H new ATOM 0 HZ1 LYS A 641 0.479 9.678 -6.362 1.00 65.21 H new ATOM 0 HZ2 LYS A 641 0.457 8.118 -7.032 1.00 65.21 H new ATOM 0 HZ3 LYS A 641 -0.811 8.626 -6.023 1.00 65.21 H new ATOM 2206 N LEU A 642 0.144 5.061 -1.745 1.00 13.03 N ATOM 2207 CA LEU A 642 -0.284 5.868 -0.660 1.00 13.40 C ATOM 2208 C LEU A 642 0.474 7.166 -0.716 1.00 55.14 C ATOM 2209 O LEU A 642 1.693 7.185 -0.540 1.00 60.43 O ATOM 2210 CB LEU A 642 0.003 5.169 0.646 1.00 72.50 C ATOM 2211 CG LEU A 642 -0.364 5.931 1.903 1.00 20.03 C ATOM 2212 CD1 LEU A 642 -1.872 6.037 2.072 1.00 71.13 C ATOM 2213 CD2 LEU A 642 0.281 5.302 3.104 1.00 73.51 C ATOM 0 H LEU A 642 1.154 4.925 -1.793 1.00 13.03 H new ATOM 0 HA LEU A 642 -1.356 6.050 -0.728 1.00 13.40 H new ATOM 0 HB2 LEU A 642 -0.532 4.219 0.652 1.00 72.50 H new ATOM 0 HB3 LEU A 642 1.067 4.936 0.684 1.00 72.50 H new ATOM 0 HG LEU A 642 0.017 6.948 1.806 1.00 20.03 H new ATOM 0 HD11 LEU A 642 -2.098 6.590 2.984 1.00 71.13 H new ATOM 0 HD12 LEU A 642 -2.298 6.560 1.216 1.00 71.13 H new ATOM 0 HD13 LEU A 642 -2.302 5.038 2.138 1.00 71.13 H new ATOM 0 HD21 LEU A 642 0.007 5.861 3.999 1.00 73.51 H new ATOM 0 HD22 LEU A 642 -0.060 4.271 3.202 1.00 73.51 H new ATOM 0 HD23 LEU A 642 1.364 5.316 2.984 1.00 73.51 H new ATOM 2225 N GLU A 643 -0.215 8.213 -1.021 1.00 25.34 N ATOM 2226 CA GLU A 643 0.372 9.514 -1.086 1.00 65.24 C ATOM 2227 C GLU A 643 0.236 10.146 0.284 1.00 41.51 C ATOM 2228 O GLU A 643 -0.866 10.515 0.707 1.00 24.31 O ATOM 2229 CB GLU A 643 -0.341 10.331 -2.166 1.00 32.02 C ATOM 2230 CG GLU A 643 0.316 11.647 -2.528 1.00 33.25 C ATOM 2231 CD GLU A 643 -0.320 12.281 -3.743 1.00 63.21 C ATOM 2232 OE1 GLU A 643 0.000 11.864 -4.875 1.00 43.53 O ATOM 2233 OE2 GLU A 643 -1.164 13.207 -3.604 1.00 30.51 O ATOM 0 H GLU A 643 -1.212 8.193 -1.235 1.00 25.34 H new ATOM 0 HA GLU A 643 1.428 9.470 -1.353 1.00 65.24 H new ATOM 0 HB2 GLU A 643 -0.416 9.722 -3.067 1.00 32.02 H new ATOM 0 HB3 GLU A 643 -1.359 10.533 -1.832 1.00 32.02 H new ATOM 0 HG2 GLU A 643 0.246 12.332 -1.683 1.00 33.25 H new ATOM 0 HG3 GLU A 643 1.377 11.483 -2.718 1.00 33.25 H new ATOM 2240 N VAL A 644 1.315 10.161 1.017 1.00 13.32 N ATOM 2241 CA VAL A 644 1.317 10.712 2.335 1.00 52.44 C ATOM 2242 C VAL A 644 1.737 12.153 2.271 1.00 21.24 C ATOM 2243 O VAL A 644 2.876 12.436 1.933 1.00 54.35 O ATOM 2244 CB VAL A 644 2.310 9.955 3.230 1.00 41.25 C ATOM 2245 CG1 VAL A 644 2.236 10.460 4.656 1.00 71.33 C ATOM 2246 CG2 VAL A 644 2.066 8.458 3.156 1.00 51.42 C ATOM 0 H VAL A 644 2.215 9.790 0.713 1.00 13.32 H new ATOM 0 HA VAL A 644 0.313 10.624 2.750 1.00 52.44 H new ATOM 0 HB VAL A 644 3.319 10.143 2.864 1.00 41.25 H new ATOM 0 HG11 VAL A 644 2.947 9.911 5.274 1.00 71.33 H new ATOM 0 HG12 VAL A 644 2.480 11.522 4.679 1.00 71.33 H new ATOM 0 HG13 VAL A 644 1.228 10.311 5.043 1.00 71.33 H new ATOM 0 HG21 VAL A 644 2.780 7.941 3.797 1.00 51.42 H new ATOM 0 HG22 VAL A 644 1.052 8.238 3.490 1.00 51.42 H new ATOM 0 HG23 VAL A 644 2.191 8.119 2.127 1.00 51.42 H new ATOM 2256 N ILE A 645 0.833 13.051 2.533 1.00 1.04 N ATOM 2257 CA ILE A 645 1.157 14.450 2.560 1.00 53.25 C ATOM 2258 C ILE A 645 1.499 14.834 3.982 1.00 72.34 C ATOM 2259 O ILE A 645 0.725 14.575 4.914 1.00 72.33 O ATOM 2260 CB ILE A 645 0.017 15.370 2.007 1.00 42.33 C ATOM 2261 CG1 ILE A 645 -0.220 15.131 0.497 1.00 71.44 C ATOM 2262 CG2 ILE A 645 0.310 16.850 2.277 1.00 63.25 C ATOM 2263 CD1 ILE A 645 -0.990 13.878 0.154 1.00 10.05 C ATOM 0 H ILE A 645 -0.144 12.838 2.733 1.00 1.04 H new ATOM 0 HA ILE A 645 2.007 14.605 1.896 1.00 53.25 H new ATOM 0 HB ILE A 645 -0.896 15.104 2.539 1.00 42.33 H new ATOM 0 HG12 ILE A 645 -0.755 15.989 0.090 1.00 71.44 H new ATOM 0 HG13 ILE A 645 0.747 15.092 -0.004 1.00 71.44 H new ATOM 0 HG21 ILE A 645 -0.501 17.460 1.880 1.00 63.25 H new ATOM 0 HG22 ILE A 645 0.395 17.014 3.351 1.00 63.25 H new ATOM 0 HG23 ILE A 645 1.245 17.130 1.792 1.00 63.25 H new ATOM 0 HD11 ILE A 645 -1.102 13.804 -0.928 1.00 10.05 H new ATOM 0 HD12 ILE A 645 -0.450 13.006 0.523 1.00 10.05 H new ATOM 0 HD13 ILE A 645 -1.975 13.918 0.619 1.00 10.05 H new ATOM 2275 N ILE A 646 2.649 15.410 4.153 1.00 0.12 N ATOM 2276 CA ILE A 646 3.117 15.763 5.457 1.00 61.05 C ATOM 2277 C ILE A 646 3.105 17.252 5.548 1.00 3.14 C ATOM 2278 O ILE A 646 3.579 17.945 4.630 1.00 51.32 O ATOM 2279 CB ILE A 646 4.576 15.245 5.779 1.00 43.54 C ATOM 2280 CG1 ILE A 646 4.770 13.766 5.416 1.00 42.54 C ATOM 2281 CG2 ILE A 646 4.904 15.427 7.264 1.00 45.25 C ATOM 2282 CD1 ILE A 646 4.897 13.494 3.938 1.00 41.53 C ATOM 0 H ILE A 646 3.288 15.648 3.394 1.00 0.12 H new ATOM 0 HA ILE A 646 2.458 15.288 6.184 1.00 61.05 H new ATOM 0 HB ILE A 646 5.250 15.844 5.166 1.00 43.54 H new ATOM 0 HG12 ILE A 646 5.664 13.396 5.918 1.00 42.54 H new ATOM 0 HG13 ILE A 646 3.927 13.196 5.806 1.00 42.54 H new ATOM 0 HG21 ILE A 646 5.913 15.064 7.461 1.00 45.25 H new ATOM 0 HG22 ILE A 646 4.842 16.484 7.523 1.00 45.25 H new ATOM 0 HG23 ILE A 646 4.191 14.863 7.866 1.00 45.25 H new ATOM 0 HD11 ILE A 646 5.031 12.425 3.775 1.00 41.53 H new ATOM 0 HD12 ILE A 646 3.994 13.829 3.428 1.00 41.53 H new ATOM 0 HD13 ILE A 646 5.758 14.032 3.542 1.00 41.53 H new ATOM 2294 N GLU A 647 2.547 17.736 6.593 1.00 44.45 N ATOM 2295 CA GLU A 647 2.474 19.130 6.840 1.00 4.42 C ATOM 2296 C GLU A 647 2.930 19.389 8.244 1.00 43.50 C ATOM 2297 O GLU A 647 2.928 18.456 9.066 1.00 75.43 O ATOM 2298 CB GLU A 647 1.033 19.630 6.669 1.00 4.25 C ATOM 2299 CG GLU A 647 -0.012 18.782 7.401 1.00 12.22 C ATOM 2300 CD GLU A 647 -1.259 19.557 7.731 1.00 54.10 C ATOM 2301 OE1 GLU A 647 -1.299 20.220 8.795 1.00 63.35 O ATOM 2302 OE2 GLU A 647 -2.202 19.571 6.920 1.00 65.53 O ATOM 0 H GLU A 647 2.117 17.163 7.319 1.00 44.45 H new ATOM 0 HA GLU A 647 3.110 19.659 6.130 1.00 4.42 H new ATOM 0 HB2 GLU A 647 0.970 20.657 7.030 1.00 4.25 H new ATOM 0 HB3 GLU A 647 0.790 19.650 5.607 1.00 4.25 H new ATOM 0 HG2 GLU A 647 -0.275 17.924 6.783 1.00 12.22 H new ATOM 0 HG3 GLU A 647 0.423 18.391 8.321 1.00 12.22 H new ATOM 2309 N GLU A 648 3.373 20.618 8.518 1.00 12.14 N ATOM 2310 CA GLU A 648 3.649 21.034 9.882 1.00 72.11 C ATOM 2311 C GLU A 648 2.381 20.820 10.652 1.00 63.34 C ATOM 2312 O GLU A 648 1.357 21.421 10.326 1.00 25.24 O ATOM 2313 CB GLU A 648 4.107 22.498 9.953 1.00 31.21 C ATOM 2314 CG GLU A 648 5.571 22.733 9.563 1.00 53.01 C ATOM 2315 CD GLU A 648 5.947 22.156 8.220 1.00 43.41 C ATOM 2316 OE1 GLU A 648 5.280 22.471 7.229 1.00 61.42 O ATOM 2317 OE2 GLU A 648 6.897 21.317 8.151 1.00 21.20 O ATOM 0 H GLU A 648 3.546 21.335 7.813 1.00 12.14 H new ATOM 0 HA GLU A 648 4.469 20.452 10.303 1.00 72.11 H new ATOM 0 HB2 GLU A 648 3.471 23.095 9.299 1.00 31.21 H new ATOM 0 HB3 GLU A 648 3.953 22.863 10.968 1.00 31.21 H new ATOM 0 HG2 GLU A 648 5.767 23.805 9.554 1.00 53.01 H new ATOM 0 HG3 GLU A 648 6.215 22.298 10.327 1.00 53.01 H new ATOM 2324 N SER A 649 2.483 19.952 11.631 1.00 41.44 N ATOM 2325 CA SER A 649 1.380 19.336 12.330 1.00 74.01 C ATOM 2326 C SER A 649 0.282 20.321 12.741 1.00 44.23 C ATOM 2327 O SER A 649 0.404 21.034 13.739 1.00 52.12 O ATOM 2328 CB SER A 649 1.933 18.581 13.538 1.00 15.34 C ATOM 2329 OG SER A 649 1.078 17.542 13.968 1.00 71.44 O ATOM 0 H SER A 649 3.389 19.639 11.980 1.00 41.44 H new ATOM 0 HA SER A 649 0.891 18.647 11.642 1.00 74.01 H new ATOM 0 HB2 SER A 649 2.908 18.163 13.286 1.00 15.34 H new ATOM 0 HB3 SER A 649 2.089 19.281 14.359 1.00 15.34 H new ATOM 0 HG SER A 649 0.284 17.514 13.395 1.00 71.44 H new