USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 782 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 -9:sc= 0.958 USER MOD Set 1.2: A 556 THR OG1 : rot 172:sc= 0.82 USER MOD Set 2.1: A 506 THR OG1 : rot 30:sc= 0.105 USER MOD Set 2.2: A 639 THR OG1 : rot -67:sc= 0.355 USER MOD Single : A 512 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 513 HIS : no HD1:sc=-0.000821 X(o=-0.00082,f=-0.00082) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 83:sc= 0.652 USER MOD Single : A 521 MET CE :methyl -123:sc= -0.775 (180deg=-2.47) USER MOD Single : A 524 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.954) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.34) USER MOD Single : A 540 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.21) USER MOD Single : A 541 THR OG1 : rot 60:sc= -0.0635 USER MOD Single : A 545 THR OG1 : rot -36:sc= 0.563 USER MOD Single : A 557 CYS SG : rot 43:sc= -0.0662 USER MOD Single : A 563 GLN : amide:sc= 0.715 K(o=0.71,f=-0.49) USER MOD Single : A 564 ASN : amide:sc= -1.11 K(o=-1.1,f=-8.5!) USER MOD Single : A 569 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.03) USER MOD Single : A 572 THR OG1 : rot 44:sc= 0.108 USER MOD Single : A 585 CYS SG : rot 168:sc= 0.489 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 SER OG : rot 28:sc= 0.888 USER MOD Single : A 595 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.22) USER MOD Single : A 638 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.55) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 3.359 -3.230 -4.616 1.00 42.23 N ATOM 29 CA GLY A 503 3.654 -3.451 -6.001 1.00 45.22 C ATOM 30 C GLY A 503 2.741 -4.476 -6.599 1.00 41.42 C ATOM 31 O GLY A 503 3.047 -5.657 -6.595 1.00 73.03 O ATOM 0 HA2 GLY A 503 3.559 -2.513 -6.549 1.00 45.22 H new ATOM 0 HA3 GLY A 503 4.689 -3.778 -6.106 1.00 45.22 H new ATOM 35 N ILE A 504 1.602 -4.039 -7.083 1.00 53.10 N ATOM 36 CA ILE A 504 0.659 -4.949 -7.694 1.00 62.13 C ATOM 37 C ILE A 504 0.993 -5.138 -9.170 1.00 4.15 C ATOM 38 O ILE A 504 0.932 -4.185 -9.964 1.00 11.33 O ATOM 39 CB ILE A 504 -0.818 -4.487 -7.538 1.00 30.13 C ATOM 40 CG1 ILE A 504 -1.157 -4.287 -6.050 1.00 73.21 C ATOM 41 CG2 ILE A 504 -1.772 -5.515 -8.166 1.00 23.04 C ATOM 42 CD1 ILE A 504 -2.579 -3.823 -5.793 1.00 22.31 C ATOM 0 H ILE A 504 1.306 -3.063 -7.066 1.00 53.10 H new ATOM 0 HA ILE A 504 0.752 -5.899 -7.167 1.00 62.13 H new ATOM 0 HB ILE A 504 -0.941 -3.537 -8.058 1.00 30.13 H new ATOM 0 HG12 ILE A 504 -0.992 -5.226 -5.522 1.00 73.21 H new ATOM 0 HG13 ILE A 504 -0.467 -3.558 -5.626 1.00 73.21 H new ATOM 0 HG21 ILE A 504 -2.801 -5.176 -8.048 1.00 23.04 H new ATOM 0 HG22 ILE A 504 -1.545 -5.622 -9.227 1.00 23.04 H new ATOM 0 HG23 ILE A 504 -1.648 -6.477 -7.670 1.00 23.04 H new ATOM 0 HD11 ILE A 504 -2.736 -3.707 -4.721 1.00 22.31 H new ATOM 0 HD12 ILE A 504 -2.745 -2.867 -6.290 1.00 22.31 H new ATOM 0 HD13 ILE A 504 -3.279 -4.562 -6.184 1.00 22.31 H new ATOM 54 N PHE A 505 1.378 -6.346 -9.508 1.00 61.13 N ATOM 55 CA PHE A 505 1.708 -6.734 -10.862 1.00 24.55 C ATOM 56 C PHE A 505 0.663 -7.717 -11.348 1.00 11.43 C ATOM 57 O PHE A 505 0.123 -8.495 -10.542 1.00 61.31 O ATOM 58 CB PHE A 505 3.095 -7.395 -10.908 1.00 25.22 C ATOM 59 CG PHE A 505 4.214 -6.508 -10.442 1.00 34.51 C ATOM 60 CD1 PHE A 505 4.825 -5.631 -11.314 1.00 51.41 C ATOM 61 CD2 PHE A 505 4.643 -6.547 -9.132 1.00 65.11 C ATOM 62 CE1 PHE A 505 5.845 -4.804 -10.886 1.00 23.41 C ATOM 63 CE2 PHE A 505 5.663 -5.725 -8.695 1.00 25.13 C ATOM 64 CZ PHE A 505 6.265 -4.850 -9.573 1.00 54.02 C ATOM 0 H PHE A 505 1.473 -7.106 -8.834 1.00 61.13 H new ATOM 0 HA PHE A 505 1.725 -5.850 -11.500 1.00 24.55 H new ATOM 0 HB2 PHE A 505 3.078 -8.294 -10.292 1.00 25.22 H new ATOM 0 HB3 PHE A 505 3.300 -7.713 -11.930 1.00 25.22 H new ATOM 0 HD1 PHE A 505 4.502 -5.591 -12.344 1.00 51.41 H new ATOM 0 HD2 PHE A 505 4.175 -7.230 -8.438 1.00 65.11 H new ATOM 0 HE1 PHE A 505 6.314 -4.121 -11.579 1.00 23.41 H new ATOM 0 HE2 PHE A 505 5.989 -5.768 -7.666 1.00 25.13 H new ATOM 0 HZ PHE A 505 7.061 -4.204 -9.235 1.00 54.02 H new ATOM 74 N THR A 506 0.359 -7.665 -12.621 1.00 41.24 N ATOM 75 CA THR A 506 -0.624 -8.529 -13.213 1.00 73.12 C ATOM 76 C THR A 506 -0.240 -8.830 -14.682 1.00 13.12 C ATOM 77 O THR A 506 0.618 -8.155 -15.259 1.00 30.44 O ATOM 78 CB THR A 506 -2.038 -7.861 -13.129 1.00 32.11 C ATOM 79 OG1 THR A 506 -3.068 -8.734 -13.631 1.00 52.11 O ATOM 80 CG2 THR A 506 -2.072 -6.545 -13.900 1.00 72.10 C ATOM 0 H THR A 506 0.792 -7.016 -13.278 1.00 41.24 H new ATOM 0 HA THR A 506 -0.657 -9.472 -12.667 1.00 73.12 H new ATOM 0 HB THR A 506 -2.230 -7.663 -12.074 1.00 32.11 H new ATOM 0 HG1 THR A 506 -2.808 -9.667 -13.481 1.00 52.11 H new ATOM 0 HG21 THR A 506 -3.066 -6.104 -13.824 1.00 72.10 H new ATOM 0 HG22 THR A 506 -1.337 -5.858 -13.480 1.00 72.10 H new ATOM 0 HG23 THR A 506 -1.837 -6.731 -14.948 1.00 72.10 H new ATOM 88 N PHE A 507 -0.843 -9.852 -15.244 1.00 75.22 N ATOM 89 CA PHE A 507 -0.640 -10.232 -16.634 1.00 74.13 C ATOM 90 C PHE A 507 -1.545 -9.408 -17.549 1.00 3.32 C ATOM 91 O PHE A 507 -2.603 -8.934 -17.113 1.00 42.02 O ATOM 92 CB PHE A 507 -0.963 -11.723 -16.821 1.00 71.13 C ATOM 93 CG PHE A 507 0.019 -12.674 -16.217 1.00 13.41 C ATOM 94 CD1 PHE A 507 1.247 -12.882 -16.810 1.00 54.32 C ATOM 95 CD2 PHE A 507 -0.296 -13.384 -15.083 1.00 51.43 C ATOM 96 CE1 PHE A 507 2.143 -13.779 -16.282 1.00 52.53 C ATOM 97 CE2 PHE A 507 0.596 -14.278 -14.544 1.00 63.55 C ATOM 98 CZ PHE A 507 1.816 -14.478 -15.146 1.00 64.41 C ATOM 0 H PHE A 507 -1.498 -10.455 -14.747 1.00 75.22 H new ATOM 0 HA PHE A 507 0.402 -10.044 -16.894 1.00 74.13 H new ATOM 0 HB2 PHE A 507 -1.945 -11.921 -16.392 1.00 71.13 H new ATOM 0 HB3 PHE A 507 -1.034 -11.931 -17.889 1.00 71.13 H new ATOM 0 HD1 PHE A 507 1.508 -12.332 -17.702 1.00 54.32 H new ATOM 0 HD2 PHE A 507 -1.256 -13.237 -14.611 1.00 51.43 H new ATOM 0 HE1 PHE A 507 3.100 -13.934 -16.758 1.00 52.53 H new ATOM 0 HE2 PHE A 507 0.340 -14.824 -13.648 1.00 63.55 H new ATOM 0 HZ PHE A 507 2.517 -15.184 -14.726 1.00 64.41 H new ATOM 108 N GLU A 508 -1.126 -9.235 -18.808 1.00 73.32 N ATOM 109 CA GLU A 508 -1.929 -8.529 -19.820 1.00 0.33 C ATOM 110 C GLU A 508 -3.265 -9.240 -20.033 1.00 63.14 C ATOM 111 O GLU A 508 -4.319 -8.600 -20.127 1.00 44.41 O ATOM 112 CB GLU A 508 -1.176 -8.429 -21.159 1.00 34.14 C ATOM 113 CG GLU A 508 0.116 -7.642 -21.084 1.00 73.23 C ATOM 114 CD GLU A 508 0.855 -7.587 -22.398 1.00 44.12 C ATOM 115 OE1 GLU A 508 1.520 -8.574 -22.758 1.00 3.50 O ATOM 116 OE2 GLU A 508 0.813 -6.555 -23.082 1.00 45.41 O ATOM 0 H GLU A 508 -0.229 -9.576 -19.154 1.00 73.32 H new ATOM 0 HA GLU A 508 -2.113 -7.520 -19.451 1.00 0.33 H new ATOM 0 HB2 GLU A 508 -0.956 -9.435 -21.516 1.00 34.14 H new ATOM 0 HB3 GLU A 508 -1.830 -7.965 -21.897 1.00 34.14 H new ATOM 0 HG2 GLU A 508 -0.103 -6.626 -20.755 1.00 73.23 H new ATOM 0 HG3 GLU A 508 0.763 -8.089 -20.329 1.00 73.23 H new ATOM 123 N GLU A 509 -3.210 -10.555 -20.078 1.00 43.42 N ATOM 124 CA GLU A 509 -4.375 -11.401 -20.250 1.00 54.43 C ATOM 125 C GLU A 509 -4.318 -12.513 -19.221 1.00 32.14 C ATOM 126 O GLU A 509 -3.234 -12.865 -18.773 1.00 33.34 O ATOM 127 CB GLU A 509 -4.395 -12.032 -21.652 1.00 72.11 C ATOM 128 CG GLU A 509 -4.576 -11.052 -22.785 1.00 41.22 C ATOM 129 CD GLU A 509 -4.522 -11.721 -24.141 1.00 32.23 C ATOM 130 OE1 GLU A 509 -3.412 -11.947 -24.664 1.00 34.24 O ATOM 131 OE2 GLU A 509 -5.586 -12.026 -24.714 1.00 1.54 O ATOM 0 H GLU A 509 -2.338 -11.077 -19.994 1.00 43.42 H new ATOM 0 HA GLU A 509 -5.272 -10.794 -20.126 1.00 54.43 H new ATOM 0 HB2 GLU A 509 -3.461 -12.574 -21.805 1.00 72.11 H new ATOM 0 HB3 GLU A 509 -5.200 -12.766 -21.693 1.00 72.11 H new ATOM 0 HG2 GLU A 509 -5.533 -10.543 -22.672 1.00 41.22 H new ATOM 0 HG3 GLU A 509 -3.800 -10.288 -22.729 1.00 41.22 H new ATOM 138 N PRO A 510 -5.463 -13.050 -18.795 1.00 70.13 N ATOM 139 CA PRO A 510 -5.494 -14.197 -17.896 1.00 15.45 C ATOM 140 C PRO A 510 -5.449 -15.523 -18.684 1.00 22.41 C ATOM 141 O PRO A 510 -5.078 -16.577 -18.162 1.00 3.00 O ATOM 142 CB PRO A 510 -6.830 -14.033 -17.171 1.00 75.44 C ATOM 143 CG PRO A 510 -7.717 -13.299 -18.131 1.00 14.23 C ATOM 144 CD PRO A 510 -6.823 -12.539 -19.089 1.00 2.52 C ATOM 0 HA PRO A 510 -4.641 -14.233 -17.219 1.00 15.45 H new ATOM 0 HB2 PRO A 510 -7.254 -15.001 -16.906 1.00 75.44 H new ATOM 0 HB3 PRO A 510 -6.707 -13.474 -16.243 1.00 75.44 H new ATOM 0 HG2 PRO A 510 -8.355 -13.997 -18.674 1.00 14.23 H new ATOM 0 HG3 PRO A 510 -8.376 -12.614 -17.597 1.00 14.23 H new ATOM 0 HD2 PRO A 510 -7.103 -12.723 -20.126 1.00 2.52 H new ATOM 0 HD3 PRO A 510 -6.888 -11.463 -18.927 1.00 2.52 H new ATOM 152 N VAL A 511 -5.819 -15.442 -19.943 1.00 13.44 N ATOM 153 CA VAL A 511 -5.837 -16.551 -20.876 1.00 24.24 C ATOM 154 C VAL A 511 -5.485 -16.005 -22.238 1.00 3.22 C ATOM 155 O VAL A 511 -6.103 -15.039 -22.692 1.00 61.22 O ATOM 156 CB VAL A 511 -7.244 -17.246 -20.936 1.00 70.32 C ATOM 157 CG1 VAL A 511 -7.327 -18.214 -22.091 1.00 11.33 C ATOM 158 CG2 VAL A 511 -7.521 -17.995 -19.655 1.00 42.13 C ATOM 0 H VAL A 511 -6.129 -14.566 -20.364 1.00 13.44 H new ATOM 0 HA VAL A 511 -5.121 -17.305 -20.549 1.00 24.24 H new ATOM 0 HB VAL A 511 -7.987 -16.460 -21.073 1.00 70.32 H new ATOM 0 HG11 VAL A 511 -8.313 -18.679 -22.106 1.00 11.33 H new ATOM 0 HG12 VAL A 511 -7.164 -17.679 -23.027 1.00 11.33 H new ATOM 0 HG13 VAL A 511 -6.564 -18.984 -21.976 1.00 11.33 H new ATOM 0 HG21 VAL A 511 -8.500 -18.470 -19.716 1.00 42.13 H new ATOM 0 HG22 VAL A 511 -6.756 -18.758 -19.507 1.00 42.13 H new ATOM 0 HG23 VAL A 511 -7.506 -17.299 -18.816 1.00 42.13 H new ATOM 168 N THR A 512 -4.495 -16.569 -22.863 1.00 44.21 N ATOM 169 CA THR A 512 -4.099 -16.108 -24.153 1.00 64.41 C ATOM 170 C THR A 512 -3.899 -17.299 -25.099 1.00 12.20 C ATOM 171 O THR A 512 -3.428 -18.384 -24.689 1.00 13.43 O ATOM 172 CB THR A 512 -2.816 -15.193 -24.083 1.00 75.22 C ATOM 173 OG1 THR A 512 -2.664 -14.428 -25.297 1.00 13.31 O ATOM 174 CG2 THR A 512 -1.546 -16.012 -23.853 1.00 54.44 C ATOM 0 H THR A 512 -3.949 -17.349 -22.498 1.00 44.21 H new ATOM 0 HA THR A 512 -4.899 -15.484 -24.552 1.00 64.41 H new ATOM 0 HB THR A 512 -2.957 -14.520 -23.238 1.00 75.22 H new ATOM 0 HG1 THR A 512 -3.114 -13.563 -25.197 1.00 13.31 H new ATOM 0 HG21 THR A 512 -0.685 -15.345 -23.811 1.00 54.44 H new ATOM 0 HG22 THR A 512 -1.629 -16.556 -22.912 1.00 54.44 H new ATOM 0 HG23 THR A 512 -1.416 -16.720 -24.671 1.00 54.44 H new ATOM 182 N HIS A 513 -4.307 -17.122 -26.320 1.00 61.33 N ATOM 183 CA HIS A 513 -4.124 -18.112 -27.343 1.00 65.53 C ATOM 184 C HIS A 513 -3.061 -17.639 -28.308 1.00 30.35 C ATOM 185 O HIS A 513 -3.122 -16.509 -28.800 1.00 12.20 O ATOM 186 CB HIS A 513 -5.458 -18.453 -28.057 1.00 34.21 C ATOM 187 CG HIS A 513 -6.276 -17.269 -28.559 1.00 3.34 C ATOM 188 ND1 HIS A 513 -7.369 -16.767 -27.891 1.00 53.13 N ATOM 189 CD2 HIS A 513 -6.166 -16.528 -29.696 1.00 22.04 C ATOM 190 CE1 HIS A 513 -7.882 -15.768 -28.615 1.00 64.41 C ATOM 191 NE2 HIS A 513 -7.187 -15.578 -29.725 1.00 72.24 N ATOM 0 H HIS A 513 -4.782 -16.277 -26.639 1.00 61.33 H new ATOM 0 HA HIS A 513 -3.786 -19.042 -26.885 1.00 65.53 H new ATOM 0 HB2 HIS A 513 -5.236 -19.100 -28.906 1.00 34.21 H new ATOM 0 HB3 HIS A 513 -6.077 -19.030 -27.369 1.00 34.21 H new ATOM 0 HD2 HIS A 513 -5.408 -16.656 -30.455 1.00 22.04 H new ATOM 0 HE1 HIS A 513 -8.750 -15.191 -28.331 1.00 64.41 H new ATOM 0 HE2 HIS A 513 -7.361 -14.882 -30.450 1.00 72.24 H new ATOM 199 N VAL A 514 -2.076 -18.464 -28.542 1.00 13.20 N ATOM 200 CA VAL A 514 -0.974 -18.100 -29.401 1.00 31.34 C ATOM 201 C VAL A 514 -0.779 -19.128 -30.495 1.00 11.13 C ATOM 202 O VAL A 514 -1.267 -20.267 -30.399 1.00 24.23 O ATOM 203 CB VAL A 514 0.366 -17.893 -28.613 1.00 40.34 C ATOM 204 CG1 VAL A 514 0.274 -16.692 -27.679 1.00 23.53 C ATOM 205 CG2 VAL A 514 0.744 -19.139 -27.821 1.00 71.54 C ATOM 0 H VAL A 514 -2.012 -19.402 -28.147 1.00 13.20 H new ATOM 0 HA VAL A 514 -1.238 -17.142 -29.850 1.00 31.34 H new ATOM 0 HB VAL A 514 1.146 -17.704 -29.350 1.00 40.34 H new ATOM 0 HG11 VAL A 514 1.217 -16.573 -27.146 1.00 23.53 H new ATOM 0 HG12 VAL A 514 0.070 -15.793 -28.261 1.00 23.53 H new ATOM 0 HG13 VAL A 514 -0.531 -16.850 -26.961 1.00 23.53 H new ATOM 0 HG21 VAL A 514 1.677 -18.961 -27.287 1.00 71.54 H new ATOM 0 HG22 VAL A 514 -0.046 -19.369 -27.106 1.00 71.54 H new ATOM 0 HG23 VAL A 514 0.871 -19.979 -28.504 1.00 71.54 H new ATOM 215 N SER A 515 -0.136 -18.714 -31.547 1.00 33.44 N ATOM 216 CA SER A 515 0.200 -19.576 -32.640 1.00 53.33 C ATOM 217 C SER A 515 1.346 -20.514 -32.227 1.00 71.10 C ATOM 218 O SER A 515 2.102 -20.211 -31.316 1.00 55.11 O ATOM 219 CB SER A 515 0.611 -18.703 -33.817 1.00 74.41 C ATOM 220 OG SER A 515 -0.435 -17.803 -34.150 1.00 35.02 O ATOM 0 H SER A 515 0.175 -17.750 -31.671 1.00 33.44 H new ATOM 0 HA SER A 515 -0.653 -20.194 -32.922 1.00 53.33 H new ATOM 0 HB2 SER A 515 1.514 -18.146 -33.568 1.00 74.41 H new ATOM 0 HB3 SER A 515 0.850 -19.329 -34.677 1.00 74.41 H new ATOM 0 HG SER A 515 -0.158 -17.246 -34.907 1.00 35.02 H new ATOM 226 N GLU A 516 1.480 -21.627 -32.899 1.00 23.23 N ATOM 227 CA GLU A 516 2.518 -22.589 -32.571 1.00 71.41 C ATOM 228 C GLU A 516 3.858 -22.137 -33.164 1.00 53.41 C ATOM 229 O GLU A 516 4.920 -22.392 -32.611 1.00 21.44 O ATOM 230 CB GLU A 516 2.147 -24.016 -33.075 1.00 52.32 C ATOM 231 CG GLU A 516 2.178 -24.231 -34.607 1.00 1.32 C ATOM 232 CD GLU A 516 1.214 -23.365 -35.389 1.00 53.23 C ATOM 233 OE1 GLU A 516 1.540 -22.189 -35.651 1.00 40.43 O ATOM 234 OE2 GLU A 516 0.130 -23.838 -35.750 1.00 33.35 O ATOM 0 H GLU A 516 0.884 -21.897 -33.682 1.00 23.23 H new ATOM 0 HA GLU A 516 2.609 -22.637 -31.486 1.00 71.41 H new ATOM 0 HB2 GLU A 516 2.831 -24.730 -32.615 1.00 52.32 H new ATOM 0 HB3 GLU A 516 1.146 -24.256 -32.716 1.00 52.32 H new ATOM 0 HG2 GLU A 516 3.189 -24.040 -34.966 1.00 1.32 H new ATOM 0 HG3 GLU A 516 1.957 -25.277 -34.817 1.00 1.32 H new ATOM 241 N SER A 517 3.777 -21.420 -34.264 1.00 0.00 N ATOM 242 CA SER A 517 4.937 -20.975 -35.009 1.00 5.42 C ATOM 243 C SER A 517 5.302 -19.530 -34.650 1.00 24.14 C ATOM 244 O SER A 517 6.044 -18.864 -35.372 1.00 54.30 O ATOM 245 CB SER A 517 4.615 -21.080 -36.500 1.00 0.24 C ATOM 246 OG SER A 517 4.127 -22.384 -36.816 1.00 50.10 O ATOM 0 H SER A 517 2.890 -21.125 -34.673 1.00 0.00 H new ATOM 0 HA SER A 517 5.793 -21.602 -34.758 1.00 5.42 H new ATOM 0 HB2 SER A 517 3.871 -20.331 -36.771 1.00 0.24 H new ATOM 0 HB3 SER A 517 5.509 -20.868 -37.087 1.00 0.24 H new ATOM 0 HG SER A 517 3.169 -22.432 -36.616 1.00 50.10 H new ATOM 252 N ILE A 518 4.809 -19.061 -33.514 1.00 54.44 N ATOM 253 CA ILE A 518 5.054 -17.686 -33.097 1.00 41.24 C ATOM 254 C ILE A 518 6.516 -17.479 -32.653 1.00 42.11 C ATOM 255 O ILE A 518 7.083 -16.394 -32.811 1.00 41.41 O ATOM 256 CB ILE A 518 4.077 -17.235 -31.968 1.00 73.51 C ATOM 257 CG1 ILE A 518 4.293 -15.756 -31.635 1.00 75.30 C ATOM 258 CG2 ILE A 518 4.235 -18.099 -30.722 1.00 33.25 C ATOM 259 CD1 ILE A 518 3.445 -15.235 -30.506 1.00 4.02 C ATOM 0 H ILE A 518 4.240 -19.607 -32.867 1.00 54.44 H new ATOM 0 HA ILE A 518 4.869 -17.060 -33.970 1.00 41.24 H new ATOM 0 HB ILE A 518 3.058 -17.364 -32.332 1.00 73.51 H new ATOM 0 HG12 ILE A 518 5.343 -15.604 -31.383 1.00 75.30 H new ATOM 0 HG13 ILE A 518 4.090 -15.163 -32.527 1.00 75.30 H new ATOM 0 HG21 ILE A 518 3.541 -17.760 -29.953 1.00 33.25 H new ATOM 0 HG22 ILE A 518 4.021 -19.139 -30.971 1.00 33.25 H new ATOM 0 HG23 ILE A 518 5.256 -18.017 -30.350 1.00 33.25 H new ATOM 0 HD11 ILE A 518 3.666 -14.180 -30.342 1.00 4.02 H new ATOM 0 HD12 ILE A 518 2.391 -15.350 -30.760 1.00 4.02 H new ATOM 0 HD13 ILE A 518 3.663 -15.797 -29.598 1.00 4.02 H new ATOM 271 N GLY A 519 7.126 -18.521 -32.132 1.00 23.11 N ATOM 272 CA GLY A 519 8.480 -18.416 -31.658 1.00 61.32 C ATOM 273 C GLY A 519 8.544 -17.858 -30.256 1.00 73.20 C ATOM 274 O GLY A 519 8.777 -18.591 -29.298 1.00 75.25 O ATOM 0 H GLY A 519 6.705 -19.444 -32.028 1.00 23.11 H new ATOM 0 HA2 GLY A 519 8.949 -19.400 -31.679 1.00 61.32 H new ATOM 0 HA3 GLY A 519 9.051 -17.776 -32.330 1.00 61.32 H new ATOM 278 N ILE A 520 8.280 -16.580 -30.135 1.00 40.54 N ATOM 279 CA ILE A 520 8.350 -15.892 -28.869 1.00 40.24 C ATOM 280 C ILE A 520 7.061 -15.168 -28.636 1.00 4.31 C ATOM 281 O ILE A 520 6.623 -14.367 -29.468 1.00 32.31 O ATOM 282 CB ILE A 520 9.524 -14.846 -28.807 1.00 24.32 C ATOM 283 CG1 ILE A 520 10.896 -15.516 -28.945 1.00 50.42 C ATOM 284 CG2 ILE A 520 9.467 -14.006 -27.525 1.00 73.23 C ATOM 285 CD1 ILE A 520 11.248 -16.454 -27.809 1.00 42.25 C ATOM 0 H ILE A 520 8.009 -15.984 -30.917 1.00 40.54 H new ATOM 0 HA ILE A 520 8.534 -16.646 -28.103 1.00 40.24 H new ATOM 0 HB ILE A 520 9.389 -14.178 -29.658 1.00 24.32 H new ATOM 0 HG12 ILE A 520 10.923 -16.072 -29.882 1.00 50.42 H new ATOM 0 HG13 ILE A 520 11.660 -14.742 -29.012 1.00 50.42 H new ATOM 0 HG21 ILE A 520 10.294 -13.295 -27.519 1.00 73.23 H new ATOM 0 HG22 ILE A 520 8.522 -13.464 -27.487 1.00 73.23 H new ATOM 0 HG23 ILE A 520 9.545 -14.661 -26.657 1.00 73.23 H new ATOM 0 HD11 ILE A 520 12.234 -16.885 -27.985 1.00 42.25 H new ATOM 0 HD12 ILE A 520 11.256 -15.901 -26.870 1.00 42.25 H new ATOM 0 HD13 ILE A 520 10.508 -17.252 -27.753 1.00 42.25 H new ATOM 297 N MET A 521 6.449 -15.462 -27.549 1.00 34.41 N ATOM 298 CA MET A 521 5.273 -14.762 -27.136 1.00 52.22 C ATOM 299 C MET A 521 5.658 -13.756 -26.067 1.00 54.34 C ATOM 300 O MET A 521 6.412 -14.089 -25.145 1.00 1.40 O ATOM 301 CB MET A 521 4.205 -15.730 -26.618 1.00 2.52 C ATOM 302 CG MET A 521 4.707 -16.681 -25.549 1.00 64.23 C ATOM 303 SD MET A 521 3.413 -17.677 -24.819 1.00 65.11 S ATOM 304 CE MET A 521 2.477 -16.411 -23.981 1.00 52.22 C ATOM 0 H MET A 521 6.746 -16.200 -26.910 1.00 34.41 H new ATOM 0 HA MET A 521 4.843 -14.241 -27.991 1.00 52.22 H new ATOM 0 HB2 MET A 521 3.371 -15.155 -26.216 1.00 2.52 H new ATOM 0 HB3 MET A 521 3.818 -16.311 -27.455 1.00 2.52 H new ATOM 0 HG2 MET A 521 5.460 -17.339 -25.983 1.00 64.23 H new ATOM 0 HG3 MET A 521 5.199 -16.107 -24.764 1.00 64.23 H new ATOM 0 HE1 MET A 521 2.410 -16.650 -22.920 1.00 52.22 H new ATOM 0 HE2 MET A 521 2.974 -15.449 -24.105 1.00 52.22 H new ATOM 0 HE3 MET A 521 1.474 -16.359 -24.405 1.00 52.22 H new ATOM 314 N GLU A 522 5.205 -12.535 -26.233 1.00 15.42 N ATOM 315 CA GLU A 522 5.472 -11.467 -25.300 1.00 32.13 C ATOM 316 C GLU A 522 4.327 -11.301 -24.332 1.00 62.42 C ATOM 317 O GLU A 522 3.191 -11.030 -24.745 1.00 72.23 O ATOM 318 CB GLU A 522 5.680 -10.149 -26.041 1.00 64.12 C ATOM 319 CG GLU A 522 6.987 -10.034 -26.788 1.00 63.32 C ATOM 320 CD GLU A 522 7.060 -8.773 -27.598 1.00 72.40 C ATOM 321 OE1 GLU A 522 7.261 -7.681 -27.016 1.00 42.03 O ATOM 322 OE2 GLU A 522 6.945 -8.848 -28.836 1.00 13.14 O ATOM 0 H GLU A 522 4.634 -12.253 -27.030 1.00 15.42 H new ATOM 0 HA GLU A 522 6.377 -11.728 -24.751 1.00 32.13 H new ATOM 0 HB2 GLU A 522 4.862 -10.015 -26.749 1.00 64.12 H new ATOM 0 HB3 GLU A 522 5.617 -9.332 -25.322 1.00 64.12 H new ATOM 0 HG2 GLU A 522 7.814 -10.058 -26.078 1.00 63.32 H new ATOM 0 HG3 GLU A 522 7.106 -10.895 -27.446 1.00 63.32 H new ATOM 329 N VAL A 523 4.601 -11.489 -23.073 1.00 32.21 N ATOM 330 CA VAL A 523 3.630 -11.231 -22.034 1.00 4.21 C ATOM 331 C VAL A 523 4.203 -10.179 -21.138 1.00 54.52 C ATOM 332 O VAL A 523 5.225 -10.401 -20.505 1.00 41.32 O ATOM 333 CB VAL A 523 3.333 -12.475 -21.184 1.00 25.13 C ATOM 334 CG1 VAL A 523 2.250 -12.177 -20.157 1.00 74.13 C ATOM 335 CG2 VAL A 523 2.937 -13.631 -22.057 1.00 75.21 C ATOM 0 H VAL A 523 5.502 -11.825 -22.732 1.00 32.21 H new ATOM 0 HA VAL A 523 2.696 -10.922 -22.504 1.00 4.21 H new ATOM 0 HB VAL A 523 4.242 -12.750 -20.649 1.00 25.13 H new ATOM 0 HG11 VAL A 523 2.054 -13.071 -19.565 1.00 74.13 H new ATOM 0 HG12 VAL A 523 2.582 -11.373 -19.501 1.00 74.13 H new ATOM 0 HG13 VAL A 523 1.337 -11.874 -20.669 1.00 74.13 H new ATOM 0 HG21 VAL A 523 2.731 -14.502 -21.436 1.00 75.21 H new ATOM 0 HG22 VAL A 523 2.043 -13.370 -22.623 1.00 75.21 H new ATOM 0 HG23 VAL A 523 3.749 -13.861 -22.747 1.00 75.21 H new ATOM 345 N LYS A 524 3.603 -9.046 -21.105 1.00 10.42 N ATOM 346 CA LYS A 524 4.123 -7.990 -20.303 1.00 34.04 C ATOM 347 C LYS A 524 3.465 -7.983 -18.951 1.00 4.15 C ATOM 348 O LYS A 524 2.248 -8.145 -18.831 1.00 64.41 O ATOM 349 CB LYS A 524 3.999 -6.639 -21.012 1.00 23.35 C ATOM 350 CG LYS A 524 4.524 -6.701 -22.435 1.00 3.03 C ATOM 351 CD LYS A 524 4.904 -5.345 -23.000 1.00 34.24 C ATOM 352 CE LYS A 524 3.746 -4.407 -23.176 1.00 41.04 C ATOM 353 NZ LYS A 524 2.683 -4.941 -24.066 1.00 65.22 N ATOM 0 H LYS A 524 2.752 -8.822 -21.621 1.00 10.42 H new ATOM 0 HA LYS A 524 5.188 -8.166 -20.150 1.00 34.04 H new ATOM 0 HB2 LYS A 524 2.954 -6.328 -21.023 1.00 23.35 H new ATOM 0 HB3 LYS A 524 4.551 -5.883 -20.453 1.00 23.35 H new ATOM 0 HG2 LYS A 524 5.396 -7.355 -22.464 1.00 3.03 H new ATOM 0 HG3 LYS A 524 3.765 -7.152 -23.074 1.00 3.03 H new ATOM 0 HD2 LYS A 524 5.636 -4.881 -22.340 1.00 34.24 H new ATOM 0 HD3 LYS A 524 5.391 -5.489 -23.965 1.00 34.24 H new ATOM 0 HE2 LYS A 524 3.315 -4.187 -22.199 1.00 41.04 H new ATOM 0 HE3 LYS A 524 4.111 -3.464 -23.583 1.00 41.04 H new ATOM 0 HZ1 LYS A 524 2.130 -4.152 -24.458 1.00 65.22 H new ATOM 0 HZ2 LYS A 524 3.118 -5.478 -24.843 1.00 65.22 H new ATOM 0 HZ3 LYS A 524 2.056 -5.567 -23.521 1.00 65.22 H new ATOM 367 N VAL A 525 4.267 -7.864 -17.941 1.00 42.41 N ATOM 368 CA VAL A 525 3.773 -7.816 -16.601 1.00 53.53 C ATOM 369 C VAL A 525 3.453 -6.377 -16.273 1.00 50.01 C ATOM 370 O VAL A 525 4.341 -5.531 -16.149 1.00 71.20 O ATOM 371 CB VAL A 525 4.780 -8.415 -15.595 1.00 41.04 C ATOM 372 CG1 VAL A 525 4.240 -8.346 -14.178 1.00 33.23 C ATOM 373 CG2 VAL A 525 5.091 -9.851 -15.969 1.00 53.53 C ATOM 0 H VAL A 525 5.282 -7.797 -18.021 1.00 42.41 H new ATOM 0 HA VAL A 525 2.872 -8.425 -16.522 1.00 53.53 H new ATOM 0 HB VAL A 525 5.697 -7.828 -15.635 1.00 41.04 H new ATOM 0 HG11 VAL A 525 4.969 -8.774 -13.490 1.00 33.23 H new ATOM 0 HG12 VAL A 525 4.055 -7.306 -13.909 1.00 33.23 H new ATOM 0 HG13 VAL A 525 3.308 -8.908 -14.116 1.00 33.23 H new ATOM 0 HG21 VAL A 525 5.802 -10.267 -15.255 1.00 53.53 H new ATOM 0 HG22 VAL A 525 4.173 -10.439 -15.951 1.00 53.53 H new ATOM 0 HG23 VAL A 525 5.522 -9.881 -16.970 1.00 53.53 H new ATOM 383 N LEU A 526 2.202 -6.103 -16.172 1.00 24.22 N ATOM 384 CA LEU A 526 1.724 -4.769 -16.002 1.00 34.42 C ATOM 385 C LEU A 526 1.653 -4.430 -14.540 1.00 43.41 C ATOM 386 O LEU A 526 1.007 -5.139 -13.766 1.00 24.35 O ATOM 387 CB LEU A 526 0.325 -4.653 -16.606 1.00 23.32 C ATOM 388 CG LEU A 526 0.162 -5.133 -18.050 1.00 64.33 C ATOM 389 CD1 LEU A 526 -1.280 -4.986 -18.493 1.00 70.15 C ATOM 390 CD2 LEU A 526 1.100 -4.380 -18.988 1.00 21.42 C ATOM 0 H LEU A 526 1.465 -6.808 -16.205 1.00 24.22 H new ATOM 0 HA LEU A 526 2.406 -4.081 -16.501 1.00 34.42 H new ATOM 0 HB2 LEU A 526 -0.365 -5.218 -15.979 1.00 23.32 H new ATOM 0 HB3 LEU A 526 0.018 -3.608 -16.557 1.00 23.32 H new ATOM 0 HG LEU A 526 0.430 -6.189 -18.092 1.00 64.33 H new ATOM 0 HD11 LEU A 526 -1.382 -5.331 -19.522 1.00 70.15 H new ATOM 0 HD12 LEU A 526 -1.922 -5.583 -17.845 1.00 70.15 H new ATOM 0 HD13 LEU A 526 -1.575 -3.938 -18.431 1.00 70.15 H new ATOM 0 HD21 LEU A 526 0.963 -4.741 -20.007 1.00 21.42 H new ATOM 0 HD22 LEU A 526 0.876 -3.314 -18.948 1.00 21.42 H new ATOM 0 HD23 LEU A 526 2.132 -4.546 -18.680 1.00 21.42 H new ATOM 402 N ARG A 527 2.334 -3.390 -14.132 1.00 13.53 N ATOM 403 CA ARG A 527 2.187 -2.963 -12.776 1.00 21.52 C ATOM 404 C ARG A 527 1.038 -1.972 -12.710 1.00 53.04 C ATOM 405 O ARG A 527 1.143 -0.844 -13.189 1.00 73.32 O ATOM 406 CB ARG A 527 3.514 -2.400 -12.146 1.00 60.42 C ATOM 407 CG ARG A 527 4.079 -1.022 -12.612 1.00 52.45 C ATOM 408 CD ARG A 527 4.496 -0.945 -14.080 1.00 54.44 C ATOM 409 NE ARG A 527 3.354 -0.823 -15.003 1.00 55.44 N ATOM 410 CZ ARG A 527 3.469 -0.625 -16.324 1.00 12.00 C ATOM 411 NH1 ARG A 527 4.665 -0.446 -16.863 1.00 21.44 N ATOM 412 NH2 ARG A 527 2.378 -0.570 -17.097 1.00 52.02 N ATOM 0 H ARG A 527 2.976 -2.841 -14.704 1.00 13.53 H new ATOM 0 HA ARG A 527 1.955 -3.832 -12.160 1.00 21.52 H new ATOM 0 HB2 ARG A 527 3.360 -2.339 -11.069 1.00 60.42 H new ATOM 0 HB3 ARG A 527 4.293 -3.143 -12.315 1.00 60.42 H new ATOM 0 HG2 ARG A 527 3.324 -0.258 -12.426 1.00 52.45 H new ATOM 0 HG3 ARG A 527 4.942 -0.775 -11.994 1.00 52.45 H new ATOM 0 HD2 ARG A 527 5.159 -0.091 -14.218 1.00 54.44 H new ATOM 0 HD3 ARG A 527 5.068 -1.837 -14.336 1.00 54.44 H new ATOM 0 HE ARG A 527 2.415 -0.894 -14.611 1.00 55.44 H new ATOM 0 HH11 ARG A 527 5.497 -0.459 -16.273 1.00 21.44 H new ATOM 0 HH12 ARG A 527 4.754 -0.295 -17.868 1.00 21.44 H new ATOM 0 HH21 ARG A 527 1.453 -0.679 -16.682 1.00 52.02 H new ATOM 0 HH22 ARG A 527 2.472 -0.419 -18.101 1.00 52.02 H new ATOM 426 N THR A 528 -0.076 -2.438 -12.231 1.00 13.44 N ATOM 427 CA THR A 528 -1.244 -1.622 -12.070 1.00 0.02 C ATOM 428 C THR A 528 -1.034 -0.575 -10.995 1.00 33.13 C ATOM 429 O THR A 528 -1.184 0.621 -11.231 1.00 73.11 O ATOM 430 CB THR A 528 -2.460 -2.499 -11.771 1.00 23.23 C ATOM 431 OG1 THR A 528 -2.067 -3.539 -10.854 1.00 15.21 O ATOM 432 CG2 THR A 528 -2.999 -3.112 -13.054 1.00 63.15 C ATOM 0 H THR A 528 -0.202 -3.407 -11.937 1.00 13.44 H new ATOM 0 HA THR A 528 -1.430 -1.090 -13.003 1.00 0.02 H new ATOM 0 HB THR A 528 -3.248 -1.891 -11.326 1.00 23.23 H new ATOM 0 HG1 THR A 528 -2.840 -4.107 -10.653 1.00 15.21 H new ATOM 0 HG21 THR A 528 -3.864 -3.734 -12.825 1.00 63.15 H new ATOM 0 HG22 THR A 528 -3.294 -2.318 -13.741 1.00 63.15 H new ATOM 0 HG23 THR A 528 -2.225 -3.724 -13.518 1.00 63.15 H new ATOM 440 N SER A 529 -0.652 -1.043 -9.830 1.00 74.53 N ATOM 441 CA SER A 529 -0.438 -0.191 -8.699 1.00 71.05 C ATOM 442 C SER A 529 0.847 0.615 -8.881 1.00 51.13 C ATOM 443 O SER A 529 0.840 1.833 -8.746 1.00 4.21 O ATOM 444 CB SER A 529 -0.396 -1.037 -7.428 1.00 2.34 C ATOM 445 OG SER A 529 -0.359 -0.255 -6.258 1.00 63.52 O ATOM 0 H SER A 529 -0.482 -2.032 -9.646 1.00 74.53 H new ATOM 0 HA SER A 529 -1.260 0.519 -8.611 1.00 71.05 H new ATOM 0 HB2 SER A 529 -1.271 -1.686 -7.399 1.00 2.34 H new ATOM 0 HB3 SER A 529 0.480 -1.684 -7.456 1.00 2.34 H new ATOM 0 HG SER A 529 -0.335 -0.841 -5.473 1.00 63.52 H new ATOM 451 N GLY A 530 1.936 -0.056 -9.209 1.00 13.34 N ATOM 452 CA GLY A 530 3.168 0.645 -9.417 1.00 75.24 C ATOM 453 C GLY A 530 4.366 -0.185 -9.064 1.00 15.35 C ATOM 454 O GLY A 530 4.227 -1.348 -8.674 1.00 65.33 O ATOM 0 H GLY A 530 1.983 -1.067 -9.333 1.00 13.34 H new ATOM 0 HA2 GLY A 530 3.237 0.951 -10.461 1.00 75.24 H new ATOM 0 HA3 GLY A 530 3.171 1.555 -8.817 1.00 75.24 H new ATOM 458 N ALA A 531 5.527 0.405 -9.232 1.00 22.12 N ATOM 459 CA ALA A 531 6.808 -0.196 -8.919 1.00 52.23 C ATOM 460 C ALA A 531 7.726 0.921 -8.473 1.00 73.21 C ATOM 461 O ALA A 531 7.623 2.048 -9.003 1.00 31.44 O ATOM 462 CB ALA A 531 7.395 -0.883 -10.151 1.00 21.03 C ATOM 0 H ALA A 531 5.611 1.351 -9.604 1.00 22.12 H new ATOM 0 HA ALA A 531 6.693 -0.949 -8.140 1.00 52.23 H new ATOM 0 HB1 ALA A 531 8.357 -1.328 -9.896 1.00 21.03 H new ATOM 0 HB2 ALA A 531 6.714 -1.662 -10.492 1.00 21.03 H new ATOM 0 HB3 ALA A 531 7.534 -0.149 -10.945 1.00 21.03 H new ATOM 468 N ARG A 532 8.582 0.667 -7.519 1.00 13.34 N ATOM 469 CA ARG A 532 9.456 1.698 -7.027 1.00 51.11 C ATOM 470 C ARG A 532 10.761 1.094 -6.554 1.00 50.03 C ATOM 471 O ARG A 532 10.761 0.146 -5.779 1.00 74.54 O ATOM 472 CB ARG A 532 8.792 2.451 -5.866 1.00 24.15 C ATOM 473 CG ARG A 532 9.541 3.697 -5.433 1.00 41.34 C ATOM 474 CD ARG A 532 9.465 4.775 -6.502 1.00 73.45 C ATOM 475 NE ARG A 532 10.274 5.947 -6.185 1.00 12.32 N ATOM 476 CZ ARG A 532 10.277 7.082 -6.900 1.00 62.34 C ATOM 477 NH1 ARG A 532 9.393 7.260 -7.886 1.00 73.51 N ATOM 478 NH2 ARG A 532 11.136 8.046 -6.613 1.00 43.34 N ATOM 0 H ARG A 532 8.693 -0.241 -7.069 1.00 13.34 H new ATOM 0 HA ARG A 532 9.655 2.397 -7.839 1.00 51.11 H new ATOM 0 HB2 ARG A 532 7.780 2.731 -6.159 1.00 24.15 H new ATOM 0 HB3 ARG A 532 8.703 1.778 -5.013 1.00 24.15 H new ATOM 0 HG2 ARG A 532 9.120 4.074 -4.501 1.00 41.34 H new ATOM 0 HG3 ARG A 532 10.584 3.449 -5.235 1.00 41.34 H new ATOM 0 HD2 ARG A 532 9.794 4.359 -7.454 1.00 73.45 H new ATOM 0 HD3 ARG A 532 8.426 5.080 -6.630 1.00 73.45 H new ATOM 0 HE ARG A 532 10.878 5.900 -5.364 1.00 12.32 H new ATOM 0 HH11 ARG A 532 8.712 6.531 -8.098 1.00 73.51 H new ATOM 0 HH12 ARG A 532 9.399 8.125 -8.427 1.00 73.51 H new ATOM 0 HH21 ARG A 532 11.798 7.927 -5.846 1.00 43.34 H new ATOM 0 HH22 ARG A 532 11.136 8.908 -7.158 1.00 43.34 H new ATOM 492 N GLY A 533 11.852 1.617 -7.041 1.00 22.20 N ATOM 493 CA GLY A 533 13.136 1.172 -6.594 1.00 22.10 C ATOM 494 C GLY A 533 13.638 0.054 -7.446 1.00 12.12 C ATOM 495 O GLY A 533 13.933 0.254 -8.620 1.00 24.25 O ATOM 0 H GLY A 533 11.874 2.352 -7.748 1.00 22.20 H new ATOM 0 HA2 GLY A 533 13.843 2.001 -6.622 1.00 22.10 H new ATOM 0 HA3 GLY A 533 13.071 0.843 -5.557 1.00 22.10 H new ATOM 499 N ASN A 534 13.791 -1.098 -6.865 1.00 11.53 N ATOM 500 CA ASN A 534 14.200 -2.269 -7.598 1.00 21.53 C ATOM 501 C ASN A 534 13.366 -3.437 -7.105 1.00 72.34 C ATOM 502 O ASN A 534 13.503 -3.850 -5.962 1.00 13.23 O ATOM 503 CB ASN A 534 15.699 -2.533 -7.400 1.00 13.23 C ATOM 504 CG ASN A 534 16.254 -3.549 -8.378 1.00 52.22 C ATOM 505 OD1 ASN A 534 16.305 -4.750 -8.106 1.00 41.02 O ATOM 506 ND2 ASN A 534 16.689 -3.062 -9.524 1.00 73.15 N ATOM 0 H ASN A 534 13.637 -1.258 -5.869 1.00 11.53 H new ATOM 0 HA ASN A 534 14.041 -2.126 -8.667 1.00 21.53 H new ATOM 0 HB2 ASN A 534 16.245 -1.596 -7.509 1.00 13.23 H new ATOM 0 HB3 ASN A 534 15.869 -2.885 -6.383 1.00 13.23 H new ATOM 0 HD21 ASN A 534 17.086 -3.687 -10.226 1.00 73.15 H new ATOM 0 HD22 ASN A 534 16.628 -2.061 -9.709 1.00 73.15 H new ATOM 513 N VAL A 535 12.478 -3.925 -7.916 1.00 25.54 N ATOM 514 CA VAL A 535 11.585 -4.989 -7.507 1.00 53.12 C ATOM 515 C VAL A 535 11.710 -6.164 -8.461 1.00 54.21 C ATOM 516 O VAL A 535 11.518 -6.026 -9.670 1.00 3.14 O ATOM 517 CB VAL A 535 10.096 -4.525 -7.471 1.00 64.14 C ATOM 518 CG1 VAL A 535 9.187 -5.628 -6.946 1.00 31.50 C ATOM 519 CG2 VAL A 535 9.920 -3.251 -6.647 1.00 52.34 C ATOM 0 H VAL A 535 12.345 -3.606 -8.876 1.00 25.54 H new ATOM 0 HA VAL A 535 11.875 -5.283 -6.498 1.00 53.12 H new ATOM 0 HB VAL A 535 9.807 -4.301 -8.498 1.00 64.14 H new ATOM 0 HG11 VAL A 535 8.156 -5.274 -6.933 1.00 31.50 H new ATOM 0 HG12 VAL A 535 9.263 -6.501 -7.594 1.00 31.50 H new ATOM 0 HG13 VAL A 535 9.491 -5.899 -5.935 1.00 31.50 H new ATOM 0 HG21 VAL A 535 8.869 -2.960 -6.646 1.00 52.34 H new ATOM 0 HG22 VAL A 535 10.247 -3.432 -5.623 1.00 52.34 H new ATOM 0 HG23 VAL A 535 10.518 -2.450 -7.083 1.00 52.34 H new ATOM 529 N ILE A 536 12.019 -7.305 -7.925 1.00 20.02 N ATOM 530 CA ILE A 536 12.155 -8.490 -8.725 1.00 15.04 C ATOM 531 C ILE A 536 10.857 -9.268 -8.689 1.00 22.23 C ATOM 532 O ILE A 536 10.387 -9.662 -7.614 1.00 15.24 O ATOM 533 CB ILE A 536 13.317 -9.405 -8.250 1.00 63.23 C ATOM 534 CG1 ILE A 536 14.669 -8.678 -8.303 1.00 4.23 C ATOM 535 CG2 ILE A 536 13.373 -10.682 -9.075 1.00 71.41 C ATOM 536 CD1 ILE A 536 15.105 -8.239 -9.682 1.00 1.11 C ATOM 0 H ILE A 536 12.184 -7.444 -6.928 1.00 20.02 H new ATOM 0 HA ILE A 536 12.389 -8.172 -9.741 1.00 15.04 H new ATOM 0 HB ILE A 536 13.118 -9.667 -7.211 1.00 63.23 H new ATOM 0 HG12 ILE A 536 14.618 -7.801 -7.658 1.00 4.23 H new ATOM 0 HG13 ILE A 536 15.434 -9.335 -7.888 1.00 4.23 H new ATOM 0 HG21 ILE A 536 14.195 -11.306 -8.724 1.00 71.41 H new ATOM 0 HG22 ILE A 536 12.434 -11.225 -8.969 1.00 71.41 H new ATOM 0 HG23 ILE A 536 13.531 -10.431 -10.124 1.00 71.41 H new ATOM 0 HD11 ILE A 536 16.070 -7.736 -9.616 1.00 1.11 H new ATOM 0 HD12 ILE A 536 15.194 -9.111 -10.330 1.00 1.11 H new ATOM 0 HD13 ILE A 536 14.366 -7.553 -10.096 1.00 1.11 H new ATOM 548 N VAL A 537 10.288 -9.462 -9.842 1.00 50.33 N ATOM 549 CA VAL A 537 9.060 -10.200 -10.010 1.00 43.20 C ATOM 550 C VAL A 537 9.401 -11.543 -10.638 1.00 52.14 C ATOM 551 O VAL A 537 9.771 -11.608 -11.817 1.00 23.43 O ATOM 552 CB VAL A 537 8.084 -9.443 -10.950 1.00 32.32 C ATOM 553 CG1 VAL A 537 6.751 -10.176 -11.061 1.00 43.43 C ATOM 554 CG2 VAL A 537 7.869 -8.027 -10.462 1.00 13.22 C ATOM 0 H VAL A 537 10.671 -9.104 -10.717 1.00 50.33 H new ATOM 0 HA VAL A 537 8.580 -10.325 -9.040 1.00 43.20 H new ATOM 0 HB VAL A 537 8.533 -9.405 -11.942 1.00 32.32 H new ATOM 0 HG11 VAL A 537 6.086 -9.624 -11.725 1.00 43.43 H new ATOM 0 HG12 VAL A 537 6.918 -11.175 -11.463 1.00 43.43 H new ATOM 0 HG13 VAL A 537 6.295 -10.253 -10.074 1.00 43.43 H new ATOM 0 HG21 VAL A 537 7.182 -7.511 -11.133 1.00 13.22 H new ATOM 0 HG22 VAL A 537 7.447 -8.049 -9.457 1.00 13.22 H new ATOM 0 HG23 VAL A 537 8.823 -7.500 -10.444 1.00 13.22 H new ATOM 564 N PRO A 538 9.387 -12.608 -9.856 1.00 53.22 N ATOM 565 CA PRO A 538 9.645 -13.936 -10.367 1.00 4.14 C ATOM 566 C PRO A 538 8.412 -14.512 -11.066 1.00 70.11 C ATOM 567 O PRO A 538 7.275 -14.261 -10.654 1.00 65.44 O ATOM 568 CB PRO A 538 9.986 -14.759 -9.114 1.00 5.33 C ATOM 569 CG PRO A 538 9.872 -13.827 -7.942 1.00 43.22 C ATOM 570 CD PRO A 538 9.138 -12.612 -8.411 1.00 35.34 C ATOM 0 HA PRO A 538 10.442 -13.943 -11.111 1.00 4.14 H new ATOM 0 HB2 PRO A 538 9.303 -15.601 -9.006 1.00 5.33 H new ATOM 0 HB3 PRO A 538 10.992 -15.172 -9.184 1.00 5.33 H new ATOM 0 HG2 PRO A 538 9.338 -14.305 -7.121 1.00 43.22 H new ATOM 0 HG3 PRO A 538 10.860 -13.559 -7.567 1.00 43.22 H new ATOM 0 HD2 PRO A 538 8.073 -12.673 -8.186 1.00 35.34 H new ATOM 0 HD3 PRO A 538 9.513 -11.706 -7.935 1.00 35.34 H new ATOM 578 N TYR A 539 8.625 -15.241 -12.123 1.00 42.14 N ATOM 579 CA TYR A 539 7.537 -15.888 -12.822 1.00 11.34 C ATOM 580 C TYR A 539 7.902 -17.339 -13.030 1.00 61.12 C ATOM 581 O TYR A 539 9.086 -17.699 -12.885 1.00 33.52 O ATOM 582 CB TYR A 539 7.234 -15.199 -14.186 1.00 64.40 C ATOM 583 CG TYR A 539 8.364 -15.254 -15.212 1.00 64.25 C ATOM 584 CD1 TYR A 539 8.603 -16.403 -15.953 1.00 61.23 C ATOM 585 CD2 TYR A 539 9.191 -14.165 -15.427 1.00 20.14 C ATOM 586 CE1 TYR A 539 9.620 -16.467 -16.867 1.00 23.15 C ATOM 587 CE2 TYR A 539 10.224 -14.227 -16.350 1.00 2.41 C ATOM 588 CZ TYR A 539 10.428 -15.386 -17.066 1.00 62.53 C ATOM 589 OH TYR A 539 11.466 -15.471 -17.965 1.00 72.52 O ATOM 0 H TYR A 539 9.547 -15.407 -12.527 1.00 42.14 H new ATOM 0 HA TYR A 539 6.631 -15.808 -12.222 1.00 11.34 H new ATOM 0 HB2 TYR A 539 6.349 -15.664 -14.620 1.00 64.40 H new ATOM 0 HB3 TYR A 539 6.986 -14.154 -13.999 1.00 64.40 H new ATOM 0 HD1 TYR A 539 7.972 -17.267 -15.805 1.00 61.23 H new ATOM 0 HD2 TYR A 539 9.030 -13.255 -14.868 1.00 20.14 H new ATOM 0 HE1 TYR A 539 9.783 -17.374 -17.431 1.00 23.15 H new ATOM 0 HE2 TYR A 539 10.865 -13.372 -16.507 1.00 2.41 H new ATOM 0 HH TYR A 539 11.570 -16.400 -18.258 1.00 72.52 H new ATOM 599 N LYS A 540 6.929 -18.167 -13.347 1.00 12.10 N ATOM 600 CA LYS A 540 7.188 -19.565 -13.646 1.00 5.12 C ATOM 601 C LYS A 540 6.050 -20.165 -14.448 1.00 25.31 C ATOM 602 O LYS A 540 4.862 -19.935 -14.142 1.00 30.44 O ATOM 603 CB LYS A 540 7.465 -20.376 -12.365 1.00 31.20 C ATOM 604 CG LYS A 540 6.317 -20.403 -11.369 1.00 44.33 C ATOM 605 CD LYS A 540 6.739 -21.036 -10.066 1.00 31.43 C ATOM 606 CE LYS A 540 5.589 -21.085 -9.081 1.00 33.54 C ATOM 607 NZ LYS A 540 6.050 -21.465 -7.727 1.00 41.23 N ATOM 0 H LYS A 540 5.947 -17.898 -13.405 1.00 12.10 H new ATOM 0 HA LYS A 540 8.089 -19.613 -14.257 1.00 5.12 H new ATOM 0 HB2 LYS A 540 7.709 -21.401 -12.646 1.00 31.20 H new ATOM 0 HB3 LYS A 540 8.345 -19.963 -11.873 1.00 31.20 H new ATOM 0 HG2 LYS A 540 5.967 -19.387 -11.186 1.00 44.33 H new ATOM 0 HG3 LYS A 540 5.479 -20.958 -11.791 1.00 44.33 H new ATOM 0 HD2 LYS A 540 7.105 -22.046 -10.251 1.00 31.43 H new ATOM 0 HD3 LYS A 540 7.566 -20.471 -9.636 1.00 31.43 H new ATOM 0 HE2 LYS A 540 5.102 -20.111 -9.040 1.00 33.54 H new ATOM 0 HE3 LYS A 540 4.843 -21.801 -9.427 1.00 33.54 H new ATOM 0 HZ1 LYS A 540 5.228 -21.687 -7.130 1.00 41.23 H new ATOM 0 HZ2 LYS A 540 6.666 -22.300 -7.792 1.00 41.23 H new ATOM 0 HZ3 LYS A 540 6.580 -20.675 -7.306 1.00 41.23 H new ATOM 621 N THR A 541 6.398 -20.865 -15.499 1.00 63.43 N ATOM 622 CA THR A 541 5.427 -21.528 -16.317 1.00 12.43 C ATOM 623 C THR A 541 4.991 -22.836 -15.668 1.00 5.44 C ATOM 624 O THR A 541 5.815 -23.585 -15.137 1.00 32.42 O ATOM 625 CB THR A 541 5.957 -21.769 -17.748 1.00 11.21 C ATOM 626 OG1 THR A 541 7.263 -22.350 -17.700 1.00 13.42 O ATOM 627 CG2 THR A 541 6.018 -20.471 -18.535 1.00 11.35 C ATOM 0 H THR A 541 7.363 -20.988 -15.807 1.00 63.43 H new ATOM 0 HA THR A 541 4.558 -20.876 -16.401 1.00 12.43 H new ATOM 0 HB THR A 541 5.268 -22.451 -18.247 1.00 11.21 H new ATOM 0 HG1 THR A 541 7.223 -23.205 -17.223 1.00 13.42 H new ATOM 0 HG21 THR A 541 6.395 -20.671 -19.538 1.00 11.35 H new ATOM 0 HG22 THR A 541 5.020 -20.039 -18.602 1.00 11.35 H new ATOM 0 HG23 THR A 541 6.684 -19.771 -18.031 1.00 11.35 H new ATOM 635 N ILE A 542 3.718 -23.080 -15.684 1.00 52.33 N ATOM 636 CA ILE A 542 3.137 -24.245 -15.083 1.00 11.21 C ATOM 637 C ILE A 542 2.832 -25.243 -16.173 1.00 35.24 C ATOM 638 O ILE A 542 2.027 -24.957 -17.072 1.00 71.34 O ATOM 639 CB ILE A 542 1.807 -23.900 -14.357 1.00 63.32 C ATOM 640 CG1 ILE A 542 1.985 -22.732 -13.359 1.00 64.45 C ATOM 641 CG2 ILE A 542 1.251 -25.132 -13.652 1.00 75.41 C ATOM 642 CD1 ILE A 542 2.972 -22.998 -12.246 1.00 21.31 C ATOM 0 H ILE A 542 3.036 -22.462 -16.125 1.00 52.33 H new ATOM 0 HA ILE A 542 3.842 -24.648 -14.355 1.00 11.21 H new ATOM 0 HB ILE A 542 1.092 -23.576 -15.113 1.00 63.32 H new ATOM 0 HG12 ILE A 542 2.308 -21.848 -13.909 1.00 64.45 H new ATOM 0 HG13 ILE A 542 1.016 -22.497 -12.919 1.00 64.45 H new ATOM 0 HG21 ILE A 542 0.319 -24.874 -13.148 1.00 75.41 H new ATOM 0 HG22 ILE A 542 1.062 -25.916 -14.385 1.00 75.41 H new ATOM 0 HG23 ILE A 542 1.974 -25.488 -12.918 1.00 75.41 H new ATOM 0 HD11 ILE A 542 3.031 -22.125 -11.596 1.00 21.31 H new ATOM 0 HD12 ILE A 542 2.643 -23.860 -11.666 1.00 21.31 H new ATOM 0 HD13 ILE A 542 3.955 -23.201 -12.672 1.00 21.31 H new ATOM 654 N GLU A 543 3.467 -26.382 -16.115 1.00 63.44 N ATOM 655 CA GLU A 543 3.239 -27.418 -17.089 1.00 72.05 C ATOM 656 C GLU A 543 1.908 -28.085 -16.818 1.00 11.44 C ATOM 657 O GLU A 543 1.765 -28.834 -15.850 1.00 10.53 O ATOM 658 CB GLU A 543 4.341 -28.473 -17.059 1.00 35.21 C ATOM 659 CG GLU A 543 5.733 -27.950 -17.321 1.00 52.32 C ATOM 660 CD GLU A 543 6.746 -29.069 -17.377 1.00 35.13 C ATOM 661 OE1 GLU A 543 6.816 -29.766 -18.411 1.00 50.54 O ATOM 662 OE2 GLU A 543 7.493 -29.275 -16.395 1.00 25.04 O ATOM 0 H GLU A 543 4.152 -26.619 -15.398 1.00 63.44 H new ATOM 0 HA GLU A 543 3.238 -26.953 -18.075 1.00 72.05 H new ATOM 0 HB2 GLU A 543 4.330 -28.961 -16.084 1.00 35.21 H new ATOM 0 HB3 GLU A 543 4.111 -29.238 -17.801 1.00 35.21 H new ATOM 0 HG2 GLU A 543 5.745 -27.400 -18.262 1.00 52.32 H new ATOM 0 HG3 GLU A 543 6.011 -27.246 -16.537 1.00 52.32 H new ATOM 669 N GLY A 544 0.933 -27.767 -17.624 1.00 64.13 N ATOM 670 CA GLY A 544 -0.345 -28.394 -17.500 1.00 72.20 C ATOM 671 C GLY A 544 -0.396 -29.619 -18.361 1.00 11.40 C ATOM 672 O GLY A 544 0.204 -30.651 -18.028 1.00 2.41 O ATOM 0 H GLY A 544 1.003 -27.077 -18.372 1.00 64.13 H new ATOM 0 HA2 GLY A 544 -0.529 -28.662 -16.460 1.00 72.20 H new ATOM 0 HA3 GLY A 544 -1.131 -27.699 -17.794 1.00 72.20 H new ATOM 676 N THR A 545 -1.045 -29.514 -19.487 1.00 65.12 N ATOM 677 CA THR A 545 -1.096 -30.618 -20.403 1.00 50.00 C ATOM 678 C THR A 545 -0.086 -30.403 -21.547 1.00 21.31 C ATOM 679 O THR A 545 -0.027 -31.175 -22.497 1.00 52.53 O ATOM 680 CB THR A 545 -2.528 -30.888 -20.928 1.00 10.35 C ATOM 681 OG1 THR A 545 -2.561 -32.088 -21.727 1.00 71.12 O ATOM 682 CG2 THR A 545 -2.974 -29.742 -21.746 1.00 23.20 C ATOM 0 H THR A 545 -1.544 -28.678 -19.791 1.00 65.12 H new ATOM 0 HA THR A 545 -0.810 -31.518 -19.860 1.00 50.00 H new ATOM 0 HB THR A 545 -3.193 -31.019 -20.075 1.00 10.35 H new ATOM 0 HG1 THR A 545 -1.728 -32.164 -22.238 1.00 71.12 H new ATOM 0 HG21 THR A 545 -3.982 -29.930 -22.117 1.00 23.20 H new ATOM 0 HG22 THR A 545 -2.974 -28.838 -21.137 1.00 23.20 H new ATOM 0 HG23 THR A 545 -2.296 -29.611 -22.589 1.00 23.20 H new ATOM 690 N ALA A 546 0.690 -29.338 -21.436 1.00 4.53 N ATOM 691 CA ALA A 546 1.775 -29.061 -22.361 1.00 42.52 C ATOM 692 C ALA A 546 3.072 -29.378 -21.644 1.00 53.35 C ATOM 693 O ALA A 546 3.133 -29.250 -20.413 1.00 74.40 O ATOM 694 CB ALA A 546 1.752 -27.607 -22.798 1.00 0.52 C ATOM 0 H ALA A 546 0.585 -28.640 -20.700 1.00 4.53 H new ATOM 0 HA ALA A 546 1.673 -29.670 -23.259 1.00 42.52 H new ATOM 0 HB1 ALA A 546 2.573 -27.422 -23.490 1.00 0.52 H new ATOM 0 HB2 ALA A 546 0.805 -27.391 -23.292 1.00 0.52 H new ATOM 0 HB3 ALA A 546 1.861 -26.963 -21.925 1.00 0.52 H new ATOM 700 N ARG A 547 4.078 -29.794 -22.365 1.00 40.52 N ATOM 701 CA ARG A 547 5.328 -30.200 -21.760 1.00 4.11 C ATOM 702 C ARG A 547 6.418 -29.159 -22.006 1.00 62.34 C ATOM 703 O ARG A 547 6.575 -28.650 -23.140 1.00 63.04 O ATOM 704 CB ARG A 547 5.742 -31.562 -22.323 1.00 22.33 C ATOM 705 CG ARG A 547 6.963 -32.198 -21.672 1.00 60.01 C ATOM 706 CD ARG A 547 6.745 -32.411 -20.189 1.00 3.23 C ATOM 707 NE ARG A 547 7.818 -33.193 -19.562 1.00 5.04 N ATOM 708 CZ ARG A 547 8.055 -33.223 -18.244 1.00 55.34 C ATOM 709 NH1 ARG A 547 7.486 -32.331 -17.451 1.00 64.13 N ATOM 710 NH2 ARG A 547 8.929 -34.090 -17.739 1.00 23.13 N ATOM 0 H ARG A 547 4.060 -29.863 -23.383 1.00 40.52 H new ATOM 0 HA ARG A 547 5.191 -30.283 -20.682 1.00 4.11 H new ATOM 0 HB2 ARG A 547 4.901 -32.248 -22.223 1.00 22.33 H new ATOM 0 HB3 ARG A 547 5.938 -31.450 -23.389 1.00 22.33 H new ATOM 0 HG2 ARG A 547 7.178 -33.153 -22.151 1.00 60.01 H new ATOM 0 HG3 ARG A 547 7.834 -31.561 -21.826 1.00 60.01 H new ATOM 0 HD2 ARG A 547 6.671 -31.442 -19.695 1.00 3.23 H new ATOM 0 HD3 ARG A 547 5.794 -32.920 -20.036 1.00 3.23 H new ATOM 0 HE ARG A 547 8.421 -33.749 -20.169 1.00 5.04 H new ATOM 0 HH11 ARG A 547 6.867 -31.621 -17.843 1.00 64.13 H new ATOM 0 HH12 ARG A 547 7.666 -32.353 -16.447 1.00 64.13 H new ATOM 0 HH21 ARG A 547 9.422 -34.735 -18.356 1.00 23.13 H new ATOM 0 HH22 ARG A 547 9.106 -34.109 -16.735 1.00 23.13 H new ATOM 724 N GLY A 548 7.150 -28.831 -20.950 1.00 64.14 N ATOM 725 CA GLY A 548 8.240 -27.894 -21.043 1.00 24.52 C ATOM 726 C GLY A 548 9.505 -28.557 -21.553 1.00 60.15 C ATOM 727 O GLY A 548 9.442 -29.547 -22.306 1.00 34.40 O ATOM 0 H GLY A 548 6.999 -29.209 -20.015 1.00 64.14 H new ATOM 0 HA2 GLY A 548 7.963 -27.077 -21.710 1.00 24.52 H new ATOM 0 HA3 GLY A 548 8.428 -27.456 -20.063 1.00 24.52 H new ATOM 731 N GLY A 549 10.653 -28.034 -21.165 1.00 70.23 N ATOM 732 CA GLY A 549 11.935 -28.574 -21.611 1.00 21.20 C ATOM 733 C GLY A 549 12.292 -28.221 -23.058 1.00 34.43 C ATOM 734 O GLY A 549 13.464 -28.009 -23.385 1.00 21.00 O ATOM 0 H GLY A 549 10.730 -27.232 -20.539 1.00 70.23 H new ATOM 0 HA2 GLY A 549 12.722 -28.204 -20.953 1.00 21.20 H new ATOM 0 HA3 GLY A 549 11.916 -29.659 -21.507 1.00 21.20 H new ATOM 738 N GLY A 550 11.301 -28.130 -23.908 1.00 31.24 N ATOM 739 CA GLY A 550 11.541 -27.881 -25.307 1.00 25.31 C ATOM 740 C GLY A 550 10.558 -28.612 -26.206 1.00 62.13 C ATOM 741 O GLY A 550 10.709 -28.604 -27.434 1.00 52.44 O ATOM 0 H GLY A 550 10.317 -28.225 -23.655 1.00 31.24 H new ATOM 0 HA2 GLY A 550 11.476 -26.810 -25.498 1.00 25.31 H new ATOM 0 HA3 GLY A 550 12.556 -28.189 -25.558 1.00 25.31 H new ATOM 745 N GLU A 551 9.571 -29.260 -25.597 1.00 73.42 N ATOM 746 CA GLU A 551 8.529 -29.962 -26.331 1.00 25.30 C ATOM 747 C GLU A 551 7.521 -29.000 -26.945 1.00 51.43 C ATOM 748 O GLU A 551 7.579 -28.700 -28.142 1.00 1.00 O ATOM 749 CB GLU A 551 7.810 -30.962 -25.426 1.00 32.02 C ATOM 750 CG GLU A 551 8.526 -32.275 -25.245 1.00 54.13 C ATOM 751 CD GLU A 551 8.634 -33.027 -26.547 1.00 15.35 C ATOM 752 OE1 GLU A 551 7.593 -33.254 -27.204 1.00 12.31 O ATOM 753 OE2 GLU A 551 9.751 -33.383 -26.948 1.00 22.52 O ATOM 0 H GLU A 551 9.472 -29.312 -24.583 1.00 73.42 H new ATOM 0 HA GLU A 551 9.017 -30.501 -27.143 1.00 25.30 H new ATOM 0 HB2 GLU A 551 7.664 -30.505 -24.447 1.00 32.02 H new ATOM 0 HB3 GLU A 551 6.820 -31.157 -25.838 1.00 32.02 H new ATOM 0 HG2 GLU A 551 9.523 -32.095 -24.843 1.00 54.13 H new ATOM 0 HG3 GLU A 551 7.993 -32.884 -24.515 1.00 54.13 H new ATOM 760 N ASP A 552 6.612 -28.523 -26.125 1.00 21.31 N ATOM 761 CA ASP A 552 5.585 -27.595 -26.569 1.00 75.11 C ATOM 762 C ASP A 552 6.122 -26.199 -26.402 1.00 71.11 C ATOM 763 O ASP A 552 5.974 -25.332 -27.267 1.00 55.41 O ATOM 764 CB ASP A 552 4.294 -27.754 -25.721 1.00 52.10 C ATOM 765 CG ASP A 552 3.648 -29.128 -25.796 1.00 32.42 C ATOM 766 OD1 ASP A 552 4.130 -30.075 -25.124 1.00 70.44 O ATOM 767 OD2 ASP A 552 2.642 -29.303 -26.498 1.00 14.51 O ATOM 0 H ASP A 552 6.560 -28.763 -25.135 1.00 21.31 H new ATOM 0 HA ASP A 552 5.334 -27.797 -27.610 1.00 75.11 H new ATOM 0 HB2 ASP A 552 4.531 -27.536 -24.680 1.00 52.10 H new ATOM 0 HB3 ASP A 552 3.568 -27.008 -26.046 1.00 52.10 H new ATOM 772 N PHE A 553 6.792 -26.005 -25.294 1.00 4.05 N ATOM 773 CA PHE A 553 7.364 -24.742 -24.944 1.00 70.50 C ATOM 774 C PHE A 553 8.611 -24.985 -24.119 1.00 74.15 C ATOM 775 O PHE A 553 8.885 -26.126 -23.709 1.00 30.32 O ATOM 776 CB PHE A 553 6.351 -23.890 -24.134 1.00 42.24 C ATOM 777 CG PHE A 553 5.988 -24.453 -22.765 1.00 20.34 C ATOM 778 CD1 PHE A 553 5.145 -25.543 -22.643 1.00 50.02 C ATOM 779 CD2 PHE A 553 6.490 -23.880 -21.609 1.00 64.42 C ATOM 780 CE1 PHE A 553 4.814 -26.051 -21.404 1.00 32.12 C ATOM 781 CE2 PHE A 553 6.162 -24.385 -20.366 1.00 42.30 C ATOM 782 CZ PHE A 553 5.323 -25.472 -20.266 1.00 64.34 C ATOM 0 H PHE A 553 6.955 -26.737 -24.602 1.00 4.05 H new ATOM 0 HA PHE A 553 7.618 -24.195 -25.852 1.00 70.50 H new ATOM 0 HB2 PHE A 553 6.764 -22.890 -24.001 1.00 42.24 H new ATOM 0 HB3 PHE A 553 5.438 -23.783 -24.720 1.00 42.24 H new ATOM 0 HD1 PHE A 553 4.740 -26.003 -23.532 1.00 50.02 H new ATOM 0 HD2 PHE A 553 7.147 -23.026 -21.680 1.00 64.42 H new ATOM 0 HE1 PHE A 553 4.155 -26.903 -21.328 1.00 32.12 H new ATOM 0 HE2 PHE A 553 6.563 -23.928 -19.474 1.00 42.30 H new ATOM 0 HZ PHE A 553 5.065 -25.869 -19.295 1.00 64.34 H new ATOM 792 N GLU A 554 9.361 -23.945 -23.903 1.00 62.05 N ATOM 793 CA GLU A 554 10.517 -23.985 -23.048 1.00 62.22 C ATOM 794 C GLU A 554 10.040 -23.410 -21.722 1.00 34.22 C ATOM 795 O GLU A 554 9.560 -22.270 -21.687 1.00 44.55 O ATOM 796 CB GLU A 554 11.624 -23.100 -23.660 1.00 53.54 C ATOM 797 CG GLU A 554 13.065 -23.571 -23.428 1.00 70.32 C ATOM 798 CD GLU A 554 13.502 -23.602 -21.984 1.00 55.25 C ATOM 799 OE1 GLU A 554 13.307 -24.623 -21.313 1.00 10.01 O ATOM 800 OE2 GLU A 554 14.106 -22.607 -21.504 1.00 1.42 O ATOM 0 H GLU A 554 9.187 -23.031 -24.320 1.00 62.05 H new ATOM 0 HA GLU A 554 10.927 -24.988 -22.925 1.00 62.22 H new ATOM 0 HB2 GLU A 554 11.454 -23.031 -24.734 1.00 53.54 H new ATOM 0 HB3 GLU A 554 11.522 -22.093 -23.255 1.00 53.54 H new ATOM 0 HG2 GLU A 554 13.176 -24.571 -23.847 1.00 70.32 H new ATOM 0 HG3 GLU A 554 13.739 -22.917 -23.982 1.00 70.32 H new ATOM 807 N ASP A 555 10.107 -24.196 -20.663 1.00 11.50 N ATOM 808 CA ASP A 555 9.583 -23.768 -19.362 1.00 62.13 C ATOM 809 C ASP A 555 10.463 -22.700 -18.762 1.00 62.52 C ATOM 810 O ASP A 555 11.572 -22.956 -18.296 1.00 42.43 O ATOM 811 CB ASP A 555 9.340 -24.949 -18.379 1.00 62.32 C ATOM 812 CG ASP A 555 10.578 -25.737 -18.023 1.00 24.44 C ATOM 813 OD1 ASP A 555 11.100 -26.461 -18.904 1.00 12.45 O ATOM 814 OD2 ASP A 555 11.068 -25.645 -16.863 1.00 70.04 O ATOM 0 H ASP A 555 10.515 -25.131 -20.669 1.00 11.50 H new ATOM 0 HA ASP A 555 8.598 -23.337 -19.541 1.00 62.13 H new ATOM 0 HB2 ASP A 555 8.899 -24.557 -17.463 1.00 62.32 H new ATOM 0 HB3 ASP A 555 8.609 -25.626 -18.820 1.00 62.32 H new ATOM 819 N THR A 556 9.981 -21.504 -18.808 1.00 33.43 N ATOM 820 CA THR A 556 10.733 -20.386 -18.386 1.00 25.13 C ATOM 821 C THR A 556 10.301 -19.924 -16.994 1.00 64.40 C ATOM 822 O THR A 556 9.109 -19.724 -16.705 1.00 34.41 O ATOM 823 CB THR A 556 10.697 -19.225 -19.450 1.00 61.24 C ATOM 824 OG1 THR A 556 11.478 -18.091 -19.032 1.00 13.41 O ATOM 825 CG2 THR A 556 9.273 -18.781 -19.779 1.00 62.22 C ATOM 0 H THR A 556 9.044 -21.280 -19.144 1.00 33.43 H new ATOM 0 HA THR A 556 11.776 -20.694 -18.306 1.00 25.13 H new ATOM 0 HB THR A 556 11.140 -19.638 -20.356 1.00 61.24 H new ATOM 0 HG1 THR A 556 11.538 -17.446 -19.768 1.00 13.41 H new ATOM 0 HG21 THR A 556 9.303 -17.979 -20.517 1.00 62.22 H new ATOM 0 HG22 THR A 556 8.713 -19.625 -20.183 1.00 62.22 H new ATOM 0 HG23 THR A 556 8.785 -18.422 -18.873 1.00 62.22 H new ATOM 833 N CYS A 557 11.270 -19.813 -16.136 1.00 44.51 N ATOM 834 CA CYS A 557 11.092 -19.348 -14.803 1.00 34.20 C ATOM 835 C CYS A 557 12.264 -18.465 -14.447 1.00 50.14 C ATOM 836 O CYS A 557 13.361 -18.946 -14.125 1.00 53.12 O ATOM 837 CB CYS A 557 10.934 -20.523 -13.834 1.00 23.10 C ATOM 838 SG CYS A 557 12.174 -21.826 -14.033 1.00 73.11 S ATOM 0 H CYS A 557 12.236 -20.053 -16.357 1.00 44.51 H new ATOM 0 HA CYS A 557 10.176 -18.763 -14.725 1.00 34.20 H new ATOM 0 HB2 CYS A 557 10.982 -20.145 -12.813 1.00 23.10 H new ATOM 0 HB3 CYS A 557 9.943 -20.957 -13.967 1.00 23.10 H new ATOM 0 HG CYS A 557 13.345 -21.288 -14.203 1.00 73.11 H new ATOM 844 N GLY A 558 12.060 -17.191 -14.570 1.00 54.00 N ATOM 845 CA GLY A 558 13.113 -16.257 -14.357 1.00 14.21 C ATOM 846 C GLY A 558 12.687 -15.138 -13.471 1.00 61.35 C ATOM 847 O GLY A 558 11.519 -15.085 -13.037 1.00 31.01 O ATOM 0 H GLY A 558 11.163 -16.774 -14.820 1.00 54.00 H new ATOM 0 HA2 GLY A 558 13.968 -16.767 -13.913 1.00 14.21 H new ATOM 0 HA3 GLY A 558 13.443 -15.857 -15.315 1.00 14.21 H new ATOM 851 N GLU A 559 13.600 -14.250 -13.218 1.00 3.24 N ATOM 852 CA GLU A 559 13.386 -13.143 -12.344 1.00 64.15 C ATOM 853 C GLU A 559 13.366 -11.848 -13.165 1.00 13.22 C ATOM 854 O GLU A 559 14.361 -11.497 -13.816 1.00 64.41 O ATOM 855 CB GLU A 559 14.511 -13.120 -11.296 1.00 21.04 C ATOM 856 CG GLU A 559 14.625 -14.420 -10.492 1.00 23.01 C ATOM 857 CD GLU A 559 15.762 -14.416 -9.496 1.00 3.21 C ATOM 858 OE1 GLU A 559 16.914 -14.738 -9.870 1.00 11.22 O ATOM 859 OE2 GLU A 559 15.531 -14.111 -8.304 1.00 24.14 O ATOM 0 H GLU A 559 14.535 -14.278 -13.624 1.00 3.24 H new ATOM 0 HA GLU A 559 12.429 -13.235 -11.830 1.00 64.15 H new ATOM 0 HB2 GLU A 559 15.460 -12.928 -11.797 1.00 21.04 H new ATOM 0 HB3 GLU A 559 14.340 -12.291 -10.609 1.00 21.04 H new ATOM 0 HG2 GLU A 559 13.689 -14.593 -9.962 1.00 23.01 H new ATOM 0 HG3 GLU A 559 14.759 -15.254 -11.181 1.00 23.01 H new ATOM 866 N LEU A 560 12.231 -11.189 -13.201 1.00 75.31 N ATOM 867 CA LEU A 560 12.101 -9.938 -13.924 1.00 22.25 C ATOM 868 C LEU A 560 12.450 -8.791 -13.033 1.00 73.22 C ATOM 869 O LEU A 560 12.048 -8.763 -11.871 1.00 63.22 O ATOM 870 CB LEU A 560 10.686 -9.744 -14.436 1.00 30.11 C ATOM 871 CG LEU A 560 10.199 -10.741 -15.470 1.00 73.33 C ATOM 872 CD1 LEU A 560 8.746 -10.480 -15.794 1.00 74.43 C ATOM 873 CD2 LEU A 560 11.053 -10.677 -16.731 1.00 14.31 C ATOM 0 H LEU A 560 11.377 -11.498 -12.736 1.00 75.31 H new ATOM 0 HA LEU A 560 12.784 -9.975 -14.773 1.00 22.25 H new ATOM 0 HB2 LEU A 560 10.007 -9.777 -13.584 1.00 30.11 H new ATOM 0 HB3 LEU A 560 10.612 -8.744 -14.864 1.00 30.11 H new ATOM 0 HG LEU A 560 10.291 -11.745 -15.056 1.00 73.33 H new ATOM 0 HD11 LEU A 560 8.404 -11.200 -16.537 1.00 74.43 H new ATOM 0 HD12 LEU A 560 8.148 -10.581 -14.889 1.00 74.43 H new ATOM 0 HD13 LEU A 560 8.637 -9.470 -16.190 1.00 74.43 H new ATOM 0 HD21 LEU A 560 10.684 -11.401 -17.457 1.00 14.31 H new ATOM 0 HD22 LEU A 560 10.998 -9.675 -17.157 1.00 14.31 H new ATOM 0 HD23 LEU A 560 12.088 -10.909 -16.481 1.00 14.31 H new ATOM 885 N GLU A 561 13.167 -7.850 -13.561 1.00 25.33 N ATOM 886 CA GLU A 561 13.573 -6.732 -12.783 1.00 34.12 C ATOM 887 C GLU A 561 12.790 -5.494 -13.144 1.00 10.14 C ATOM 888 O GLU A 561 12.970 -4.903 -14.227 1.00 11.40 O ATOM 889 CB GLU A 561 15.061 -6.474 -12.919 1.00 4.32 C ATOM 890 CG GLU A 561 15.569 -5.401 -11.977 1.00 24.32 C ATOM 891 CD GLU A 561 17.044 -5.215 -12.067 1.00 61.32 C ATOM 892 OE1 GLU A 561 17.776 -6.209 -12.004 1.00 33.04 O ATOM 893 OE2 GLU A 561 17.513 -4.054 -12.149 1.00 3.35 O ATOM 0 H GLU A 561 13.482 -7.837 -14.531 1.00 25.33 H new ATOM 0 HA GLU A 561 13.363 -6.975 -11.741 1.00 34.12 H new ATOM 0 HB2 GLU A 561 15.603 -7.401 -12.730 1.00 4.32 H new ATOM 0 HB3 GLU A 561 15.280 -6.181 -13.946 1.00 4.32 H new ATOM 0 HG2 GLU A 561 15.073 -4.458 -12.204 1.00 24.32 H new ATOM 0 HG3 GLU A 561 15.301 -5.664 -10.954 1.00 24.32 H new ATOM 900 N PHE A 562 11.907 -5.136 -12.277 1.00 13.51 N ATOM 901 CA PHE A 562 11.191 -3.912 -12.381 1.00 20.12 C ATOM 902 C PHE A 562 11.896 -2.921 -11.526 1.00 43.50 C ATOM 903 O PHE A 562 12.495 -3.283 -10.522 1.00 12.30 O ATOM 904 CB PHE A 562 9.743 -4.056 -11.923 1.00 2.24 C ATOM 905 CG PHE A 562 8.823 -4.652 -12.940 1.00 51.31 C ATOM 906 CD1 PHE A 562 8.783 -6.019 -13.167 1.00 71.20 C ATOM 907 CD2 PHE A 562 7.979 -3.832 -13.667 1.00 31.42 C ATOM 908 CE1 PHE A 562 7.920 -6.544 -14.098 1.00 74.14 C ATOM 909 CE2 PHE A 562 7.120 -4.354 -14.590 1.00 4.34 C ATOM 910 CZ PHE A 562 7.089 -5.706 -14.808 1.00 64.10 C ATOM 0 H PHE A 562 11.658 -5.696 -11.461 1.00 13.51 H new ATOM 0 HA PHE A 562 11.160 -3.595 -13.423 1.00 20.12 H new ATOM 0 HB2 PHE A 562 9.720 -4.674 -11.025 1.00 2.24 H new ATOM 0 HB3 PHE A 562 9.365 -3.073 -11.643 1.00 2.24 H new ATOM 0 HD1 PHE A 562 9.434 -6.675 -12.609 1.00 71.20 H new ATOM 0 HD2 PHE A 562 8.000 -2.765 -13.502 1.00 31.42 H new ATOM 0 HE1 PHE A 562 7.893 -7.609 -14.272 1.00 74.14 H new ATOM 0 HE2 PHE A 562 6.465 -3.702 -15.148 1.00 4.34 H new ATOM 0 HZ PHE A 562 6.410 -6.117 -15.540 1.00 64.10 H new ATOM 920 N GLN A 563 11.873 -1.704 -11.908 1.00 1.11 N ATOM 921 CA GLN A 563 12.529 -0.709 -11.134 1.00 73.51 C ATOM 922 C GLN A 563 11.539 0.376 -10.795 1.00 12.23 C ATOM 923 O GLN A 563 10.956 0.391 -9.721 1.00 22.34 O ATOM 924 CB GLN A 563 13.767 -0.161 -11.866 1.00 15.52 C ATOM 925 CG GLN A 563 14.821 -1.226 -12.190 1.00 4.25 C ATOM 926 CD GLN A 563 16.048 -0.662 -12.874 1.00 22.15 C ATOM 927 OE1 GLN A 563 15.978 0.341 -13.592 1.00 12.30 O ATOM 928 NE2 GLN A 563 17.173 -1.318 -12.704 1.00 23.30 N ATOM 0 H GLN A 563 11.409 -1.365 -12.751 1.00 1.11 H new ATOM 0 HA GLN A 563 12.895 -1.147 -10.206 1.00 73.51 H new ATOM 0 HB2 GLN A 563 13.448 0.314 -12.794 1.00 15.52 H new ATOM 0 HB3 GLN A 563 14.225 0.615 -11.253 1.00 15.52 H new ATOM 0 HG2 GLN A 563 15.123 -1.722 -11.267 1.00 4.25 H new ATOM 0 HG3 GLN A 563 14.374 -1.987 -12.829 1.00 4.25 H new ATOM 0 HE21 GLN A 563 17.197 -2.143 -12.104 1.00 23.30 H new ATOM 0 HE22 GLN A 563 18.023 -1.003 -13.172 1.00 23.30 H new ATOM 937 N ASN A 564 11.295 1.228 -11.732 1.00 64.20 N ATOM 938 CA ASN A 564 10.337 2.286 -11.557 1.00 62.00 C ATOM 939 C ASN A 564 9.060 1.935 -12.314 1.00 12.44 C ATOM 940 O ASN A 564 9.094 1.158 -13.269 1.00 14.02 O ATOM 941 CB ASN A 564 10.920 3.604 -12.070 1.00 12.51 C ATOM 942 CG ASN A 564 10.033 4.813 -11.804 1.00 35.42 C ATOM 943 OD1 ASN A 564 9.163 5.156 -12.602 1.00 12.41 O ATOM 944 ND2 ASN A 564 10.238 5.451 -10.692 1.00 60.02 N ATOM 0 H ASN A 564 11.750 1.218 -12.645 1.00 64.20 H new ATOM 0 HA ASN A 564 10.104 2.402 -10.499 1.00 62.00 H new ATOM 0 HB2 ASN A 564 11.891 3.767 -11.602 1.00 12.51 H new ATOM 0 HB3 ASN A 564 11.093 3.521 -13.143 1.00 12.51 H new ATOM 0 HD21 ASN A 564 9.668 6.264 -10.458 1.00 60.02 H new ATOM 0 HD22 ASN A 564 10.969 5.139 -10.052 1.00 60.02 H new ATOM 951 N ASP A 565 7.957 2.508 -11.887 1.00 3.23 N ATOM 952 CA ASP A 565 6.614 2.310 -12.471 1.00 24.23 C ATOM 953 C ASP A 565 6.553 2.634 -13.975 1.00 31.44 C ATOM 954 O ASP A 565 5.727 2.078 -14.703 1.00 40.41 O ATOM 955 CB ASP A 565 5.616 3.179 -11.694 1.00 15.40 C ATOM 956 CG ASP A 565 4.224 3.243 -12.300 1.00 50.22 C ATOM 957 OD1 ASP A 565 3.397 2.354 -12.027 1.00 42.31 O ATOM 958 OD2 ASP A 565 3.920 4.230 -13.001 1.00 23.32 O ATOM 0 H ASP A 565 7.951 3.151 -11.095 1.00 3.23 H new ATOM 0 HA ASP A 565 6.360 1.254 -12.384 1.00 24.23 H new ATOM 0 HB2 ASP A 565 5.537 2.796 -10.676 1.00 15.40 H new ATOM 0 HB3 ASP A 565 6.014 4.191 -11.624 1.00 15.40 H new ATOM 963 N GLU A 566 7.440 3.499 -14.438 1.00 74.11 N ATOM 964 CA GLU A 566 7.459 3.901 -15.841 1.00 42.32 C ATOM 965 C GLU A 566 7.885 2.767 -16.789 1.00 44.12 C ATOM 966 O GLU A 566 7.620 2.837 -17.992 1.00 71.41 O ATOM 967 CB GLU A 566 8.353 5.128 -16.059 1.00 53.35 C ATOM 968 CG GLU A 566 9.806 4.922 -15.668 1.00 71.21 C ATOM 969 CD GLU A 566 10.661 6.113 -15.983 1.00 10.40 C ATOM 970 OE1 GLU A 566 10.674 7.083 -15.199 1.00 41.32 O ATOM 971 OE2 GLU A 566 11.344 6.108 -17.024 1.00 54.24 O ATOM 0 H GLU A 566 8.159 3.939 -13.864 1.00 74.11 H new ATOM 0 HA GLU A 566 6.429 4.160 -16.088 1.00 42.32 H new ATOM 0 HB2 GLU A 566 8.309 5.412 -17.110 1.00 53.35 H new ATOM 0 HB3 GLU A 566 7.950 5.963 -15.486 1.00 53.35 H new ATOM 0 HG2 GLU A 566 9.865 4.709 -14.601 1.00 71.21 H new ATOM 0 HG3 GLU A 566 10.199 4.049 -16.189 1.00 71.21 H new ATOM 978 N ILE A 567 8.528 1.731 -16.269 1.00 31.33 N ATOM 979 CA ILE A 567 8.987 0.664 -17.129 1.00 51.31 C ATOM 980 C ILE A 567 8.130 -0.570 -16.963 1.00 54.14 C ATOM 981 O ILE A 567 7.321 -0.666 -16.021 1.00 73.32 O ATOM 982 CB ILE A 567 10.488 0.291 -16.926 1.00 40.42 C ATOM 983 CG1 ILE A 567 10.748 -0.291 -15.524 1.00 10.01 C ATOM 984 CG2 ILE A 567 11.376 1.501 -17.181 1.00 42.22 C ATOM 985 CD1 ILE A 567 12.169 -0.780 -15.313 1.00 2.33 C ATOM 0 H ILE A 567 8.737 1.612 -15.278 1.00 31.33 H new ATOM 0 HA ILE A 567 8.893 1.050 -18.144 1.00 51.31 H new ATOM 0 HB ILE A 567 10.736 -0.485 -17.650 1.00 40.42 H new ATOM 0 HG12 ILE A 567 10.522 0.471 -14.778 1.00 10.01 H new ATOM 0 HG13 ILE A 567 10.060 -1.119 -15.352 1.00 10.01 H new ATOM 0 HG21 ILE A 567 12.420 1.223 -17.035 1.00 42.22 H new ATOM 0 HG22 ILE A 567 11.233 1.848 -18.204 1.00 42.22 H new ATOM 0 HG23 ILE A 567 11.112 2.299 -16.487 1.00 42.22 H new ATOM 0 HD11 ILE A 567 12.272 -1.175 -14.302 1.00 2.33 H new ATOM 0 HD12 ILE A 567 12.394 -1.566 -16.034 1.00 2.33 H new ATOM 0 HD13 ILE A 567 12.863 0.049 -15.451 1.00 2.33 H new ATOM 997 N VAL A 568 8.294 -1.493 -17.861 1.00 52.14 N ATOM 998 CA VAL A 568 7.576 -2.732 -17.838 1.00 75.23 C ATOM 999 C VAL A 568 8.552 -3.845 -18.216 1.00 62.25 C ATOM 1000 O VAL A 568 9.620 -3.571 -18.761 1.00 11.24 O ATOM 1001 CB VAL A 568 6.361 -2.688 -18.836 1.00 24.30 C ATOM 1002 CG1 VAL A 568 6.801 -2.670 -20.295 1.00 20.31 C ATOM 1003 CG2 VAL A 568 5.361 -3.804 -18.581 1.00 75.13 C ATOM 0 H VAL A 568 8.942 -1.405 -18.644 1.00 52.14 H new ATOM 0 HA VAL A 568 7.169 -2.914 -16.844 1.00 75.23 H new ATOM 0 HB VAL A 568 5.853 -1.743 -18.641 1.00 24.30 H new ATOM 0 HG11 VAL A 568 5.923 -2.640 -20.940 1.00 20.31 H new ATOM 0 HG12 VAL A 568 7.416 -1.789 -20.479 1.00 20.31 H new ATOM 0 HG13 VAL A 568 7.379 -3.568 -20.512 1.00 20.31 H new ATOM 0 HG21 VAL A 568 4.542 -3.729 -19.296 1.00 75.13 H new ATOM 0 HG22 VAL A 568 5.855 -4.769 -18.695 1.00 75.13 H new ATOM 0 HG23 VAL A 568 4.968 -3.716 -17.568 1.00 75.13 H new ATOM 1013 N LYS A 569 8.243 -5.059 -17.868 1.00 71.44 N ATOM 1014 CA LYS A 569 9.054 -6.186 -18.259 1.00 23.11 C ATOM 1015 C LYS A 569 8.244 -7.157 -19.037 1.00 53.21 C ATOM 1016 O LYS A 569 7.022 -7.243 -18.856 1.00 62.43 O ATOM 1017 CB LYS A 569 9.719 -6.863 -17.078 1.00 25.30 C ATOM 1018 CG LYS A 569 10.972 -6.177 -16.545 1.00 20.22 C ATOM 1019 CD LYS A 569 12.248 -6.537 -17.339 1.00 1.24 C ATOM 1020 CE LYS A 569 12.323 -5.960 -18.757 1.00 41.54 C ATOM 1021 NZ LYS A 569 12.214 -4.489 -18.811 1.00 13.43 N ATOM 0 H LYS A 569 7.426 -5.301 -17.307 1.00 71.44 H new ATOM 0 HA LYS A 569 9.856 -5.803 -18.890 1.00 23.11 H new ATOM 0 HB2 LYS A 569 8.994 -6.935 -16.268 1.00 25.30 H new ATOM 0 HB3 LYS A 569 9.979 -7.882 -17.365 1.00 25.30 H new ATOM 0 HG2 LYS A 569 10.827 -5.097 -16.573 1.00 20.22 H new ATOM 0 HG3 LYS A 569 11.112 -6.453 -15.500 1.00 20.22 H new ATOM 0 HD2 LYS A 569 13.115 -6.190 -16.777 1.00 1.24 H new ATOM 0 HD3 LYS A 569 12.322 -7.623 -17.402 1.00 1.24 H new ATOM 0 HE2 LYS A 569 13.267 -6.261 -19.212 1.00 41.54 H new ATOM 0 HE3 LYS A 569 11.525 -6.396 -19.359 1.00 41.54 H new ATOM 0 HZ1 LYS A 569 12.374 -4.165 -19.786 1.00 13.43 H new ATOM 0 HZ2 LYS A 569 11.264 -4.200 -18.502 1.00 13.43 H new ATOM 0 HZ3 LYS A 569 12.927 -4.065 -18.183 1.00 13.43 H new ATOM 1035 N ILE A 570 8.904 -7.889 -19.888 1.00 35.32 N ATOM 1036 CA ILE A 570 8.220 -8.789 -20.775 1.00 11.23 C ATOM 1037 C ILE A 570 8.722 -10.206 -20.575 1.00 62.03 C ATOM 1038 O ILE A 570 9.930 -10.438 -20.434 1.00 54.13 O ATOM 1039 CB ILE A 570 8.399 -8.379 -22.275 1.00 12.04 C ATOM 1040 CG1 ILE A 570 8.075 -6.886 -22.471 1.00 14.34 C ATOM 1041 CG2 ILE A 570 7.496 -9.227 -23.167 1.00 51.52 C ATOM 1042 CD1 ILE A 570 8.112 -6.411 -23.918 1.00 4.23 C ATOM 0 H ILE A 570 9.919 -7.881 -19.987 1.00 35.32 H new ATOM 0 HA ILE A 570 7.158 -8.736 -20.534 1.00 11.23 H new ATOM 0 HB ILE A 570 9.438 -8.551 -22.555 1.00 12.04 H new ATOM 0 HG12 ILE A 570 7.084 -6.687 -22.063 1.00 14.34 H new ATOM 0 HG13 ILE A 570 8.784 -6.295 -21.891 1.00 14.34 H new ATOM 0 HG21 ILE A 570 7.631 -8.931 -24.207 1.00 51.52 H new ATOM 0 HG22 ILE A 570 7.756 -10.279 -23.052 1.00 51.52 H new ATOM 0 HG23 ILE A 570 6.456 -9.077 -22.879 1.00 51.52 H new ATOM 0 HD11 ILE A 570 7.871 -5.349 -23.958 1.00 4.23 H new ATOM 0 HD12 ILE A 570 9.108 -6.573 -24.329 1.00 4.23 H new ATOM 0 HD13 ILE A 570 7.383 -6.971 -24.503 1.00 4.23 H new ATOM 1054 N ILE A 571 7.801 -11.126 -20.508 1.00 15.53 N ATOM 1055 CA ILE A 571 8.103 -12.522 -20.418 1.00 35.42 C ATOM 1056 C ILE A 571 8.157 -13.061 -21.821 1.00 44.53 C ATOM 1057 O ILE A 571 7.196 -12.918 -22.583 1.00 64.11 O ATOM 1058 CB ILE A 571 7.017 -13.300 -19.633 1.00 15.10 C ATOM 1059 CG1 ILE A 571 6.793 -12.638 -18.270 1.00 4.53 C ATOM 1060 CG2 ILE A 571 7.453 -14.757 -19.464 1.00 73.34 C ATOM 1061 CD1 ILE A 571 5.684 -13.248 -17.453 1.00 12.43 C ATOM 0 H ILE A 571 6.802 -10.920 -20.515 1.00 15.53 H new ATOM 0 HA ILE A 571 9.048 -12.646 -19.890 1.00 35.42 H new ATOM 0 HB ILE A 571 6.078 -13.280 -20.185 1.00 15.10 H new ATOM 0 HG12 ILE A 571 7.719 -12.691 -17.698 1.00 4.53 H new ATOM 0 HG13 ILE A 571 6.574 -11.582 -18.425 1.00 4.53 H new ATOM 0 HG21 ILE A 571 6.689 -15.304 -18.912 1.00 73.34 H new ATOM 0 HG22 ILE A 571 7.588 -15.213 -20.445 1.00 73.34 H new ATOM 0 HG23 ILE A 571 8.394 -14.794 -18.915 1.00 73.34 H new ATOM 0 HD11 ILE A 571 5.596 -12.717 -16.505 1.00 12.43 H new ATOM 0 HD12 ILE A 571 4.744 -13.171 -18.000 1.00 12.43 H new ATOM 0 HD13 ILE A 571 5.908 -14.298 -17.262 1.00 12.43 H new ATOM 1073 N THR A 572 9.263 -13.623 -22.160 1.00 4.23 N ATOM 1074 CA THR A 572 9.485 -14.186 -23.442 1.00 23.21 C ATOM 1075 C THR A 572 9.468 -15.700 -23.334 1.00 1.30 C ATOM 1076 O THR A 572 10.316 -16.308 -22.655 1.00 72.20 O ATOM 1077 CB THR A 572 10.829 -13.677 -23.980 1.00 2.20 C ATOM 1078 OG1 THR A 572 11.819 -13.734 -22.926 1.00 62.03 O ATOM 1079 CG2 THR A 572 10.693 -12.240 -24.458 1.00 24.15 C ATOM 0 H THR A 572 10.063 -13.706 -21.532 1.00 4.23 H new ATOM 0 HA THR A 572 8.699 -13.888 -24.136 1.00 23.21 H new ATOM 0 HB THR A 572 11.137 -14.305 -24.816 1.00 2.20 H new ATOM 0 HG1 THR A 572 11.743 -14.588 -22.452 1.00 62.03 H new ATOM 0 HG21 THR A 572 11.653 -11.890 -24.837 1.00 24.15 H new ATOM 0 HG22 THR A 572 9.949 -12.190 -25.253 1.00 24.15 H new ATOM 0 HG23 THR A 572 10.379 -11.608 -23.627 1.00 24.15 H new ATOM 1087 N ILE A 573 8.477 -16.305 -23.923 1.00 60.34 N ATOM 1088 CA ILE A 573 8.351 -17.738 -23.865 1.00 23.04 C ATOM 1089 C ILE A 573 8.613 -18.315 -25.232 1.00 54.10 C ATOM 1090 O ILE A 573 8.002 -17.882 -26.226 1.00 31.24 O ATOM 1091 CB ILE A 573 6.946 -18.182 -23.391 1.00 43.54 C ATOM 1092 CG1 ILE A 573 6.557 -17.439 -22.109 1.00 74.45 C ATOM 1093 CG2 ILE A 573 6.918 -19.699 -23.160 1.00 1.04 C ATOM 1094 CD1 ILE A 573 5.162 -17.742 -21.627 1.00 1.11 C ATOM 0 H ILE A 573 7.743 -15.831 -24.450 1.00 60.34 H new ATOM 0 HA ILE A 573 9.080 -18.105 -23.142 1.00 23.04 H new ATOM 0 HB ILE A 573 6.222 -17.935 -24.167 1.00 43.54 H new ATOM 0 HG12 ILE A 573 7.266 -17.696 -21.322 1.00 74.45 H new ATOM 0 HG13 ILE A 573 6.646 -16.366 -22.281 1.00 74.45 H new ATOM 0 HG21 ILE A 573 5.924 -19.998 -22.827 1.00 1.04 H new ATOM 0 HG22 ILE A 573 7.159 -20.213 -24.090 1.00 1.04 H new ATOM 0 HG23 ILE A 573 7.651 -19.965 -22.398 1.00 1.04 H new ATOM 0 HD11 ILE A 573 4.961 -17.178 -20.716 1.00 1.11 H new ATOM 0 HD12 ILE A 573 4.442 -17.458 -22.395 1.00 1.11 H new ATOM 0 HD13 ILE A 573 5.072 -18.809 -21.421 1.00 1.11 H new ATOM 1106 N ARG A 574 9.539 -19.237 -25.284 1.00 61.54 N ATOM 1107 CA ARG A 574 9.877 -19.943 -26.489 1.00 73.10 C ATOM 1108 C ARG A 574 8.864 -21.037 -26.742 1.00 21.04 C ATOM 1109 O ARG A 574 8.785 -22.013 -25.985 1.00 44.31 O ATOM 1110 CB ARG A 574 11.284 -20.534 -26.390 1.00 61.55 C ATOM 1111 CG ARG A 574 12.394 -19.503 -26.404 1.00 0.12 C ATOM 1112 CD ARG A 574 13.737 -20.131 -26.106 1.00 2.04 C ATOM 1113 NE ARG A 574 14.829 -19.146 -26.158 1.00 22.44 N ATOM 1114 CZ ARG A 574 15.670 -18.865 -25.148 1.00 23.44 C ATOM 1115 NH1 ARG A 574 15.486 -19.403 -23.941 1.00 30.34 N ATOM 1116 NH2 ARG A 574 16.681 -18.022 -25.339 1.00 53.41 N ATOM 0 H ARG A 574 10.089 -19.522 -24.474 1.00 61.54 H new ATOM 0 HA ARG A 574 9.860 -19.242 -27.323 1.00 73.10 H new ATOM 0 HB2 ARG A 574 11.357 -21.117 -25.472 1.00 61.55 H new ATOM 0 HB3 ARG A 574 11.435 -21.225 -27.220 1.00 61.55 H new ATOM 0 HG2 ARG A 574 12.427 -19.016 -27.378 1.00 0.12 H new ATOM 0 HG3 ARG A 574 12.182 -18.728 -25.667 1.00 0.12 H new ATOM 0 HD2 ARG A 574 13.711 -20.592 -25.118 1.00 2.04 H new ATOM 0 HD3 ARG A 574 13.932 -20.927 -26.824 1.00 2.04 H new ATOM 0 HE ARG A 574 14.958 -18.635 -27.031 1.00 22.44 H new ATOM 0 HH11 ARG A 574 14.701 -20.034 -23.778 1.00 30.34 H new ATOM 0 HH12 ARG A 574 16.130 -19.183 -23.181 1.00 30.34 H new ATOM 0 HH21 ARG A 574 16.818 -17.589 -26.252 1.00 53.41 H new ATOM 0 HH22 ARG A 574 17.319 -17.809 -24.572 1.00 53.41 H new ATOM 1130 N ILE A 575 8.085 -20.845 -27.758 1.00 2.41 N ATOM 1131 CA ILE A 575 7.083 -21.794 -28.178 1.00 64.32 C ATOM 1132 C ILE A 575 7.671 -22.572 -29.336 1.00 2.22 C ATOM 1133 O ILE A 575 8.285 -21.973 -30.225 1.00 61.41 O ATOM 1134 CB ILE A 575 5.791 -21.059 -28.656 1.00 44.42 C ATOM 1135 CG1 ILE A 575 5.206 -20.168 -27.535 1.00 31.24 C ATOM 1136 CG2 ILE A 575 4.741 -22.042 -29.173 1.00 53.22 C ATOM 1137 CD1 ILE A 575 4.799 -20.916 -26.276 1.00 52.21 C ATOM 0 H ILE A 575 8.122 -20.007 -28.338 1.00 2.41 H new ATOM 0 HA ILE A 575 6.811 -22.447 -27.349 1.00 64.32 H new ATOM 0 HB ILE A 575 6.076 -20.414 -29.487 1.00 44.42 H new ATOM 0 HG12 ILE A 575 5.944 -19.411 -27.269 1.00 31.24 H new ATOM 0 HG13 ILE A 575 4.335 -19.641 -27.926 1.00 31.24 H new ATOM 0 HG21 ILE A 575 3.857 -21.493 -29.496 1.00 53.22 H new ATOM 0 HG22 ILE A 575 5.149 -22.601 -30.015 1.00 53.22 H new ATOM 0 HG23 ILE A 575 4.467 -22.734 -28.377 1.00 53.22 H new ATOM 0 HD11 ILE A 575 4.400 -20.211 -25.547 1.00 52.21 H new ATOM 0 HD12 ILE A 575 4.035 -21.654 -26.522 1.00 52.21 H new ATOM 0 HD13 ILE A 575 5.669 -21.420 -25.855 1.00 52.21 H new ATOM 1149 N PHE A 576 7.520 -23.866 -29.339 1.00 62.44 N ATOM 1150 CA PHE A 576 8.091 -24.673 -30.392 1.00 22.40 C ATOM 1151 C PHE A 576 6.992 -25.354 -31.167 1.00 32.31 C ATOM 1152 O PHE A 576 6.085 -25.946 -30.579 1.00 5.00 O ATOM 1153 CB PHE A 576 9.059 -25.708 -29.816 1.00 73.33 C ATOM 1154 CG PHE A 576 10.139 -25.107 -28.961 1.00 13.25 C ATOM 1155 CD1 PHE A 576 11.197 -24.417 -29.528 1.00 74.32 C ATOM 1156 CD2 PHE A 576 10.089 -25.229 -27.588 1.00 33.12 C ATOM 1157 CE1 PHE A 576 12.183 -23.862 -28.735 1.00 2.45 C ATOM 1158 CE2 PHE A 576 11.069 -24.679 -26.797 1.00 5.02 C ATOM 1159 CZ PHE A 576 12.117 -23.995 -27.367 1.00 34.15 C ATOM 0 H PHE A 576 7.008 -24.389 -28.628 1.00 62.44 H new ATOM 0 HA PHE A 576 8.651 -24.024 -31.066 1.00 22.40 H new ATOM 0 HB2 PHE A 576 8.497 -26.430 -29.223 1.00 73.33 H new ATOM 0 HB3 PHE A 576 9.520 -26.259 -30.636 1.00 73.33 H new ATOM 0 HD1 PHE A 576 11.252 -24.311 -30.601 1.00 74.32 H new ATOM 0 HD2 PHE A 576 9.270 -25.763 -27.129 1.00 33.12 H new ATOM 0 HE1 PHE A 576 13.003 -23.325 -29.188 1.00 2.45 H new ATOM 0 HE2 PHE A 576 11.016 -24.784 -25.723 1.00 5.02 H new ATOM 0 HZ PHE A 576 12.886 -23.564 -26.743 1.00 34.15 H new ATOM 1308 N CYS A 585 -3.031 -28.537 -26.140 1.00 2.42 N ATOM 1309 CA CYS A 585 -2.135 -28.338 -25.071 1.00 33.30 C ATOM 1310 C CYS A 585 -2.074 -26.903 -24.606 1.00 3.03 C ATOM 1311 O CYS A 585 -2.126 -25.954 -25.396 1.00 3.45 O ATOM 1312 CB CYS A 585 -0.768 -28.924 -25.414 1.00 4.41 C ATOM 1313 SG CYS A 585 -0.150 -28.481 -27.047 1.00 31.13 S ATOM 0 HA CYS A 585 -2.519 -28.882 -24.208 1.00 33.30 H new ATOM 0 HB2 CYS A 585 -0.048 -28.594 -24.666 1.00 4.41 H new ATOM 0 HB3 CYS A 585 -0.825 -30.010 -25.344 1.00 4.41 H new ATOM 0 HG CYS A 585 1.107 -28.799 -27.136 1.00 31.13 H new ATOM 1319 N SER A 586 -2.027 -26.754 -23.323 1.00 63.42 N ATOM 1320 CA SER A 586 -1.953 -25.493 -22.708 1.00 0.53 C ATOM 1321 C SER A 586 -1.063 -25.592 -21.489 1.00 53.31 C ATOM 1322 O SER A 586 -0.857 -26.697 -20.932 1.00 41.11 O ATOM 1323 CB SER A 586 -3.367 -25.037 -22.317 1.00 34.44 C ATOM 1324 OG SER A 586 -4.034 -26.032 -21.539 1.00 65.40 O ATOM 0 H SER A 586 -2.040 -27.534 -22.666 1.00 63.42 H new ATOM 0 HA SER A 586 -1.529 -24.759 -23.394 1.00 0.53 H new ATOM 0 HB2 SER A 586 -3.309 -24.108 -21.751 1.00 34.44 H new ATOM 0 HB3 SER A 586 -3.946 -24.826 -23.216 1.00 34.44 H new ATOM 0 HG SER A 586 -4.931 -25.715 -21.302 1.00 65.40 H new ATOM 1330 N PHE A 587 -0.496 -24.499 -21.123 1.00 0.22 N ATOM 1331 CA PHE A 587 0.276 -24.397 -19.923 1.00 15.34 C ATOM 1332 C PHE A 587 -0.076 -23.095 -19.293 1.00 1.13 C ATOM 1333 O PHE A 587 -0.623 -22.226 -19.959 1.00 45.43 O ATOM 1334 CB PHE A 587 1.793 -24.475 -20.197 1.00 4.23 C ATOM 1335 CG PHE A 587 2.367 -23.362 -21.043 1.00 11.43 C ATOM 1336 CD1 PHE A 587 2.339 -23.439 -22.415 1.00 3.14 C ATOM 1337 CD2 PHE A 587 2.947 -22.249 -20.454 1.00 4.01 C ATOM 1338 CE1 PHE A 587 2.872 -22.437 -23.191 1.00 4.21 C ATOM 1339 CE2 PHE A 587 3.482 -21.243 -21.227 1.00 61.13 C ATOM 1340 CZ PHE A 587 3.441 -21.343 -22.603 1.00 45.44 C ATOM 0 H PHE A 587 -0.553 -23.630 -21.655 1.00 0.22 H new ATOM 0 HA PHE A 587 0.046 -25.234 -19.264 1.00 15.34 H new ATOM 0 HB2 PHE A 587 2.316 -24.485 -19.241 1.00 4.23 H new ATOM 0 HB3 PHE A 587 2.006 -25.425 -20.687 1.00 4.23 H new ATOM 0 HD1 PHE A 587 1.892 -24.299 -22.891 1.00 3.14 H new ATOM 0 HD2 PHE A 587 2.980 -22.170 -19.377 1.00 4.01 H new ATOM 0 HE1 PHE A 587 2.841 -22.515 -24.268 1.00 4.21 H new ATOM 0 HE2 PHE A 587 3.932 -20.380 -20.759 1.00 61.13 H new ATOM 0 HZ PHE A 587 3.859 -20.557 -23.215 1.00 45.44 H new ATOM 1350 N SER A 588 0.200 -22.936 -18.064 1.00 4.33 N ATOM 1351 CA SER A 588 -0.106 -21.712 -17.447 1.00 62.32 C ATOM 1352 C SER A 588 1.189 -21.014 -17.055 1.00 41.53 C ATOM 1353 O SER A 588 2.271 -21.548 -17.262 1.00 51.03 O ATOM 1354 CB SER A 588 -1.080 -21.913 -16.267 1.00 41.33 C ATOM 1355 OG SER A 588 -1.574 -20.685 -15.804 1.00 72.04 O ATOM 0 H SER A 588 0.637 -23.635 -17.464 1.00 4.33 H new ATOM 0 HA SER A 588 -0.630 -21.060 -18.146 1.00 62.32 H new ATOM 0 HB2 SER A 588 -1.909 -22.547 -16.580 1.00 41.33 H new ATOM 0 HB3 SER A 588 -0.570 -22.433 -15.456 1.00 41.33 H new ATOM 0 HG SER A 588 -1.577 -20.036 -16.538 1.00 72.04 H new ATOM 1361 N LEU A 589 1.074 -19.844 -16.557 1.00 43.05 N ATOM 1362 CA LEU A 589 2.166 -19.039 -16.145 1.00 62.43 C ATOM 1363 C LEU A 589 1.679 -18.183 -15.024 1.00 21.31 C ATOM 1364 O LEU A 589 0.630 -17.543 -15.141 1.00 33.35 O ATOM 1365 CB LEU A 589 2.648 -18.179 -17.331 1.00 45.02 C ATOM 1366 CG LEU A 589 3.678 -17.069 -17.048 1.00 61.14 C ATOM 1367 CD1 LEU A 589 4.931 -17.612 -16.408 1.00 71.25 C ATOM 1368 CD2 LEU A 589 4.038 -16.380 -18.328 1.00 25.42 C ATOM 0 H LEU A 589 0.169 -19.394 -16.416 1.00 43.05 H new ATOM 0 HA LEU A 589 3.009 -19.645 -15.813 1.00 62.43 H new ATOM 0 HB2 LEU A 589 3.075 -18.849 -18.077 1.00 45.02 H new ATOM 0 HB3 LEU A 589 1.772 -17.714 -17.784 1.00 45.02 H new ATOM 0 HG LEU A 589 3.222 -16.365 -16.352 1.00 61.14 H new ATOM 0 HD11 LEU A 589 5.630 -16.796 -16.226 1.00 71.25 H new ATOM 0 HD12 LEU A 589 4.678 -18.091 -15.462 1.00 71.25 H new ATOM 0 HD13 LEU A 589 5.392 -18.343 -17.073 1.00 71.25 H new ATOM 0 HD21 LEU A 589 4.767 -15.595 -18.126 1.00 25.42 H new ATOM 0 HD22 LEU A 589 4.466 -17.103 -19.022 1.00 25.42 H new ATOM 0 HD23 LEU A 589 3.143 -15.940 -18.768 1.00 25.42 H new ATOM 1380 N VAL A 590 2.372 -18.218 -13.929 1.00 31.43 N ATOM 1381 CA VAL A 590 2.011 -17.407 -12.804 1.00 1.44 C ATOM 1382 C VAL A 590 3.178 -16.551 -12.401 1.00 0.21 C ATOM 1383 O VAL A 590 4.343 -16.861 -12.721 1.00 5.22 O ATOM 1384 CB VAL A 590 1.532 -18.227 -11.557 1.00 65.31 C ATOM 1385 CG1 VAL A 590 0.287 -19.051 -11.860 1.00 21.31 C ATOM 1386 CG2 VAL A 590 2.641 -19.116 -11.000 1.00 64.43 C ATOM 0 H VAL A 590 3.196 -18.802 -13.788 1.00 31.43 H new ATOM 0 HA VAL A 590 1.166 -16.800 -13.130 1.00 1.44 H new ATOM 0 HB VAL A 590 1.271 -17.497 -10.791 1.00 65.31 H new ATOM 0 HG11 VAL A 590 -0.010 -19.603 -10.968 1.00 21.31 H new ATOM 0 HG12 VAL A 590 -0.523 -18.388 -12.163 1.00 21.31 H new ATOM 0 HG13 VAL A 590 0.502 -19.752 -12.666 1.00 21.31 H new ATOM 0 HG21 VAL A 590 2.267 -19.667 -10.137 1.00 64.43 H new ATOM 0 HG22 VAL A 590 2.963 -19.820 -11.768 1.00 64.43 H new ATOM 0 HG23 VAL A 590 3.486 -18.497 -10.697 1.00 64.43 H new ATOM 1396 N LEU A 591 2.871 -15.490 -11.739 1.00 12.53 N ATOM 1397 CA LEU A 591 3.852 -14.618 -11.185 1.00 25.44 C ATOM 1398 C LEU A 591 3.920 -14.937 -9.712 1.00 4.34 C ATOM 1399 O LEU A 591 2.889 -15.253 -9.091 1.00 70.21 O ATOM 1400 CB LEU A 591 3.419 -13.168 -11.367 1.00 61.34 C ATOM 1401 CG LEU A 591 3.266 -12.654 -12.791 1.00 34.52 C ATOM 1402 CD1 LEU A 591 2.453 -11.368 -12.801 1.00 51.13 C ATOM 1403 CD2 LEU A 591 4.629 -12.406 -13.402 1.00 23.15 C ATOM 0 H LEU A 591 1.910 -15.196 -11.563 1.00 12.53 H new ATOM 0 HA LEU A 591 4.818 -14.751 -11.672 1.00 25.44 H new ATOM 0 HB2 LEU A 591 2.465 -13.035 -10.857 1.00 61.34 H new ATOM 0 HB3 LEU A 591 4.144 -12.534 -10.857 1.00 61.34 H new ATOM 0 HG LEU A 591 2.743 -13.407 -13.381 1.00 34.52 H new ATOM 0 HD11 LEU A 591 2.351 -11.010 -13.826 1.00 51.13 H new ATOM 0 HD12 LEU A 591 1.465 -11.559 -12.383 1.00 51.13 H new ATOM 0 HD13 LEU A 591 2.960 -10.612 -12.202 1.00 51.13 H new ATOM 0 HD21 LEU A 591 4.509 -12.038 -14.421 1.00 23.15 H new ATOM 0 HD22 LEU A 591 5.164 -11.664 -12.809 1.00 23.15 H new ATOM 0 HD23 LEU A 591 5.196 -13.337 -13.416 1.00 23.15 H new ATOM 1415 N GLU A 592 5.075 -14.891 -9.161 1.00 13.44 N ATOM 1416 CA GLU A 592 5.246 -15.181 -7.769 1.00 51.42 C ATOM 1417 C GLU A 592 5.319 -13.883 -7.006 1.00 60.14 C ATOM 1418 O GLU A 592 5.332 -12.808 -7.616 1.00 44.10 O ATOM 1419 CB GLU A 592 6.498 -16.015 -7.534 1.00 43.14 C ATOM 1420 CG GLU A 592 6.517 -17.311 -8.320 1.00 1.30 C ATOM 1421 CD GLU A 592 7.715 -18.153 -8.011 1.00 22.04 C ATOM 1422 OE1 GLU A 592 8.829 -17.781 -8.398 1.00 71.30 O ATOM 1423 OE2 GLU A 592 7.558 -19.219 -7.365 1.00 33.34 O ATOM 0 H GLU A 592 5.936 -14.652 -9.654 1.00 13.44 H new ATOM 0 HA GLU A 592 4.396 -15.765 -7.416 1.00 51.42 H new ATOM 0 HB2 GLU A 592 7.374 -15.424 -7.801 1.00 43.14 H new ATOM 0 HB3 GLU A 592 6.579 -16.243 -6.471 1.00 43.14 H new ATOM 0 HG2 GLU A 592 5.612 -17.878 -8.101 1.00 1.30 H new ATOM 0 HG3 GLU A 592 6.501 -17.085 -9.386 1.00 1.30 H new ATOM 1430 N GLU A 593 5.345 -13.979 -5.694 1.00 62.14 N ATOM 1431 CA GLU A 593 5.420 -12.819 -4.834 1.00 50.53 C ATOM 1432 C GLU A 593 6.737 -12.066 -5.052 1.00 21.31 C ATOM 1433 O GLU A 593 7.821 -12.617 -4.822 1.00 70.44 O ATOM 1434 CB GLU A 593 5.231 -13.194 -3.345 1.00 15.34 C ATOM 1435 CG GLU A 593 3.817 -13.685 -2.956 1.00 72.24 C ATOM 1436 CD GLU A 593 3.437 -15.050 -3.505 1.00 34.12 C ATOM 1437 OE1 GLU A 593 2.869 -15.139 -4.618 1.00 72.32 O ATOM 1438 OE2 GLU A 593 3.674 -16.064 -2.819 1.00 70.24 O ATOM 0 H GLU A 593 5.315 -14.867 -5.193 1.00 62.14 H new ATOM 0 HA GLU A 593 4.598 -12.156 -5.104 1.00 50.53 H new ATOM 0 HB2 GLU A 593 5.950 -13.973 -3.091 1.00 15.34 H new ATOM 0 HB3 GLU A 593 5.475 -12.324 -2.736 1.00 15.34 H new ATOM 0 HG2 GLU A 593 3.746 -13.715 -1.869 1.00 72.24 H new ATOM 0 HG3 GLU A 593 3.087 -12.954 -3.304 1.00 72.24 H new ATOM 1445 N PRO A 594 6.660 -10.818 -5.552 1.00 52.43 N ATOM 1446 CA PRO A 594 7.829 -10.016 -5.838 1.00 12.33 C ATOM 1447 C PRO A 594 8.626 -9.644 -4.595 1.00 62.23 C ATOM 1448 O PRO A 594 8.112 -9.585 -3.474 1.00 12.34 O ATOM 1449 CB PRO A 594 7.273 -8.763 -6.526 1.00 32.35 C ATOM 1450 CG PRO A 594 5.857 -8.693 -6.108 1.00 64.12 C ATOM 1451 CD PRO A 594 5.421 -10.105 -5.891 1.00 64.31 C ATOM 0 HA PRO A 594 8.536 -10.569 -6.456 1.00 12.33 H new ATOM 0 HB2 PRO A 594 7.819 -7.870 -6.221 1.00 32.35 H new ATOM 0 HB3 PRO A 594 7.361 -8.836 -7.610 1.00 32.35 H new ATOM 0 HG2 PRO A 594 5.748 -8.107 -5.196 1.00 64.12 H new ATOM 0 HG3 PRO A 594 5.248 -8.210 -6.872 1.00 64.12 H new ATOM 0 HD2 PRO A 594 4.688 -10.176 -5.087 1.00 64.31 H new ATOM 0 HD3 PRO A 594 4.955 -10.520 -6.785 1.00 64.31 H new ATOM 1459 N LYS A 595 9.872 -9.416 -4.803 1.00 43.14 N ATOM 1460 CA LYS A 595 10.768 -9.065 -3.748 1.00 53.44 C ATOM 1461 C LYS A 595 11.366 -7.703 -4.021 1.00 12.21 C ATOM 1462 O LYS A 595 11.753 -7.402 -5.154 1.00 33.40 O ATOM 1463 CB LYS A 595 11.819 -10.161 -3.576 1.00 12.51 C ATOM 1464 CG LYS A 595 12.513 -10.566 -4.865 1.00 21.14 C ATOM 1465 CD LYS A 595 13.330 -11.820 -4.675 1.00 3.20 C ATOM 1466 CE LYS A 595 13.980 -12.265 -5.963 1.00 71.23 C ATOM 1467 NZ LYS A 595 14.775 -13.487 -5.783 1.00 14.12 N ATOM 0 H LYS A 595 10.310 -9.467 -5.723 1.00 43.14 H new ATOM 0 HA LYS A 595 10.233 -8.992 -2.801 1.00 53.44 H new ATOM 0 HB2 LYS A 595 12.570 -9.820 -2.864 1.00 12.51 H new ATOM 0 HB3 LYS A 595 11.343 -11.040 -3.141 1.00 12.51 H new ATOM 0 HG2 LYS A 595 11.770 -10.728 -5.646 1.00 21.14 H new ATOM 0 HG3 LYS A 595 13.159 -9.756 -5.203 1.00 21.14 H new ATOM 0 HD2 LYS A 595 14.098 -11.643 -3.922 1.00 3.20 H new ATOM 0 HD3 LYS A 595 12.690 -12.617 -4.296 1.00 3.20 H new ATOM 0 HE2 LYS A 595 13.211 -12.440 -6.716 1.00 71.23 H new ATOM 0 HE3 LYS A 595 14.620 -11.468 -6.341 1.00 71.23 H new ATOM 0 HZ1 LYS A 595 15.363 -13.646 -6.626 1.00 14.12 H new ATOM 0 HZ2 LYS A 595 15.387 -13.383 -4.949 1.00 14.12 H new ATOM 0 HZ3 LYS A 595 14.139 -14.298 -5.647 1.00 14.12 H new ATOM 1481 N TRP A 596 11.403 -6.876 -3.010 1.00 42.15 N ATOM 1482 CA TRP A 596 11.852 -5.516 -3.163 1.00 70.43 C ATOM 1483 C TRP A 596 13.285 -5.416 -2.709 1.00 73.40 C ATOM 1484 O TRP A 596 13.622 -5.809 -1.591 1.00 55.41 O ATOM 1485 CB TRP A 596 10.966 -4.583 -2.304 1.00 52.52 C ATOM 1486 CG TRP A 596 11.082 -3.089 -2.561 1.00 5.41 C ATOM 1487 CD1 TRP A 596 12.150 -2.396 -3.056 1.00 55.02 C ATOM 1488 CD2 TRP A 596 10.070 -2.107 -2.293 1.00 0.21 C ATOM 1489 NE1 TRP A 596 11.866 -1.056 -3.110 1.00 1.33 N ATOM 1490 CE2 TRP A 596 10.596 -0.852 -2.654 1.00 21.32 C ATOM 1491 CE3 TRP A 596 8.767 -2.168 -1.786 1.00 74.10 C ATOM 1492 CZ2 TRP A 596 9.868 0.328 -2.522 1.00 13.12 C ATOM 1493 CZ3 TRP A 596 8.049 -0.996 -1.658 1.00 25.13 C ATOM 1494 CH2 TRP A 596 8.601 0.235 -2.024 1.00 44.52 C ATOM 0 H TRP A 596 11.124 -7.124 -2.061 1.00 42.15 H new ATOM 0 HA TRP A 596 11.779 -5.218 -4.209 1.00 70.43 H new ATOM 0 HB2 TRP A 596 9.926 -4.872 -2.453 1.00 52.52 H new ATOM 0 HB3 TRP A 596 11.200 -4.765 -1.255 1.00 52.52 H new ATOM 0 HD1 TRP A 596 13.086 -2.841 -3.362 1.00 55.02 H new ATOM 0 HE1 TRP A 596 12.501 -0.329 -3.438 1.00 1.33 H new ATOM 0 HE3 TRP A 596 8.331 -3.114 -1.500 1.00 74.10 H new ATOM 0 HZ2 TRP A 596 10.291 1.281 -2.803 1.00 13.12 H new ATOM 0 HZ3 TRP A 596 7.042 -1.031 -1.268 1.00 25.13 H new ATOM 0 HH2 TRP A 596 8.011 1.133 -1.910 1.00 44.52 H new ATOM 1505 N ILE A 597 14.111 -4.923 -3.569 1.00 54.33 N ATOM 1506 CA ILE A 597 15.461 -4.622 -3.245 1.00 51.34 C ATOM 1507 C ILE A 597 15.474 -3.141 -2.932 1.00 15.25 C ATOM 1508 O ILE A 597 15.566 -2.283 -3.813 1.00 55.25 O ATOM 1509 CB ILE A 597 16.482 -4.997 -4.385 1.00 25.01 C ATOM 1510 CG1 ILE A 597 16.551 -6.525 -4.610 1.00 11.23 C ATOM 1511 CG2 ILE A 597 17.881 -4.463 -4.099 1.00 24.50 C ATOM 1512 CD1 ILE A 597 15.331 -7.145 -5.244 1.00 3.13 C ATOM 0 H ILE A 597 13.860 -4.715 -4.535 1.00 54.33 H new ATOM 0 HA ILE A 597 15.795 -5.222 -2.399 1.00 51.34 H new ATOM 0 HB ILE A 597 16.109 -4.523 -5.293 1.00 25.01 H new ATOM 0 HG12 ILE A 597 17.415 -6.743 -5.237 1.00 11.23 H new ATOM 0 HG13 ILE A 597 16.725 -7.009 -3.649 1.00 11.23 H new ATOM 0 HG21 ILE A 597 18.551 -4.745 -4.911 1.00 24.50 H new ATOM 0 HG22 ILE A 597 17.846 -3.377 -4.018 1.00 24.50 H new ATOM 0 HG23 ILE A 597 18.247 -4.885 -3.163 1.00 24.50 H new ATOM 0 HD11 ILE A 597 15.485 -8.218 -5.356 1.00 3.13 H new ATOM 0 HD12 ILE A 597 14.462 -6.967 -4.611 1.00 3.13 H new ATOM 0 HD13 ILE A 597 15.163 -6.698 -6.224 1.00 3.13 H new ATOM 2107 N ILE A 634 3.463 -7.225 -2.818 1.00 22.25 N ATOM 2108 CA ILE A 634 2.822 -8.326 -3.433 1.00 72.41 C ATOM 2109 C ILE A 634 1.922 -7.901 -4.537 1.00 54.41 C ATOM 2110 O ILE A 634 1.277 -6.834 -4.496 1.00 34.12 O ATOM 2111 CB ILE A 634 2.159 -9.367 -2.438 1.00 71.14 C ATOM 2112 CG1 ILE A 634 1.056 -8.775 -1.546 1.00 35.13 C ATOM 2113 CG2 ILE A 634 3.210 -10.047 -1.577 1.00 64.24 C ATOM 2114 CD1 ILE A 634 -0.299 -8.648 -2.202 1.00 74.41 C ATOM 0 HA ILE A 634 3.629 -8.902 -3.885 1.00 72.41 H new ATOM 0 HB ILE A 634 1.674 -10.102 -3.080 1.00 71.14 H new ATOM 0 HG12 ILE A 634 0.955 -9.398 -0.657 1.00 35.13 H new ATOM 0 HG13 ILE A 634 1.373 -7.788 -1.209 1.00 35.13 H new ATOM 0 HG21 ILE A 634 2.727 -10.755 -0.904 1.00 64.24 H new ATOM 0 HG22 ILE A 634 3.916 -10.577 -2.216 1.00 64.24 H new ATOM 0 HG23 ILE A 634 3.742 -9.297 -0.992 1.00 64.24 H new ATOM 0 HD11 ILE A 634 -1.008 -8.221 -1.493 1.00 74.41 H new ATOM 0 HD12 ILE A 634 -0.222 -7.998 -3.074 1.00 74.41 H new ATOM 0 HD13 ILE A 634 -0.646 -9.633 -2.513 1.00 74.41 H new ATOM 2126 N LEU A 635 1.908 -8.747 -5.508 1.00 72.14 N ATOM 2127 CA LEU A 635 1.242 -8.579 -6.758 1.00 15.44 C ATOM 2128 C LEU A 635 -0.258 -8.794 -6.634 1.00 54.12 C ATOM 2129 O LEU A 635 -0.814 -8.772 -5.527 1.00 0.34 O ATOM 2130 CB LEU A 635 1.824 -9.580 -7.777 1.00 43.41 C ATOM 2131 CG LEU A 635 1.564 -11.095 -7.540 1.00 2.04 C ATOM 2132 CD1 LEU A 635 2.041 -11.855 -8.716 1.00 35.41 C ATOM 2133 CD2 LEU A 635 2.266 -11.632 -6.309 1.00 11.11 C ATOM 0 H LEU A 635 2.397 -9.640 -5.447 1.00 72.14 H new ATOM 0 HA LEU A 635 1.403 -7.554 -7.093 1.00 15.44 H new ATOM 0 HB2 LEU A 635 1.430 -9.323 -8.760 1.00 43.41 H new ATOM 0 HB3 LEU A 635 2.903 -9.428 -7.816 1.00 43.41 H new ATOM 0 HG LEU A 635 0.491 -11.214 -7.388 1.00 2.04 H new ATOM 0 HD11 LEU A 635 1.863 -12.919 -8.559 1.00 35.41 H new ATOM 0 HD12 LEU A 635 1.504 -11.525 -9.605 1.00 35.41 H new ATOM 0 HD13 LEU A 635 3.109 -11.682 -8.852 1.00 35.41 H new ATOM 0 HD21 LEU A 635 2.045 -12.694 -6.198 1.00 11.11 H new ATOM 0 HD22 LEU A 635 3.342 -11.494 -6.415 1.00 11.11 H new ATOM 0 HD23 LEU A 635 1.916 -11.095 -5.427 1.00 11.11 H new ATOM 2145 N GLY A 636 -0.917 -8.960 -7.770 1.00 31.22 N ATOM 2146 CA GLY A 636 -2.305 -9.271 -7.752 1.00 73.31 C ATOM 2147 C GLY A 636 -2.507 -10.627 -7.131 1.00 14.21 C ATOM 2148 O GLY A 636 -1.741 -11.563 -7.418 1.00 44.44 O ATOM 0 H GLY A 636 -0.503 -8.882 -8.699 1.00 31.22 H new ATOM 0 HA2 GLY A 636 -2.851 -8.515 -7.187 1.00 73.31 H new ATOM 0 HA3 GLY A 636 -2.704 -9.260 -8.766 1.00 73.31 H new ATOM 2152 N GLU A 637 -3.494 -10.722 -6.272 1.00 71.40 N ATOM 2153 CA GLU A 637 -3.802 -11.938 -5.535 1.00 53.33 C ATOM 2154 C GLU A 637 -4.002 -13.126 -6.462 1.00 31.13 C ATOM 2155 O GLU A 637 -3.493 -14.227 -6.185 1.00 53.32 O ATOM 2156 CB GLU A 637 -5.017 -11.703 -4.647 1.00 44.32 C ATOM 2157 CG GLU A 637 -5.467 -12.907 -3.853 1.00 71.33 C ATOM 2158 CD GLU A 637 -6.543 -12.569 -2.867 1.00 73.13 C ATOM 2159 OE1 GLU A 637 -7.664 -12.220 -3.279 1.00 74.11 O ATOM 2160 OE2 GLU A 637 -6.277 -12.621 -1.660 1.00 74.34 O ATOM 0 H GLU A 637 -4.120 -9.946 -6.057 1.00 71.40 H new ATOM 0 HA GLU A 637 -2.950 -12.186 -4.902 1.00 53.33 H new ATOM 0 HB2 GLU A 637 -4.791 -10.893 -3.954 1.00 44.32 H new ATOM 0 HB3 GLU A 637 -5.845 -11.367 -5.271 1.00 44.32 H new ATOM 0 HG2 GLU A 637 -5.831 -13.674 -4.536 1.00 71.33 H new ATOM 0 HG3 GLU A 637 -4.613 -13.331 -3.324 1.00 71.33 H new ATOM 2167 N HIS A 638 -4.700 -12.916 -7.560 1.00 14.03 N ATOM 2168 CA HIS A 638 -4.907 -13.980 -8.516 1.00 14.53 C ATOM 2169 C HIS A 638 -4.593 -13.510 -9.924 1.00 62.10 C ATOM 2170 O HIS A 638 -5.468 -13.026 -10.651 1.00 44.33 O ATOM 2171 CB HIS A 638 -6.326 -14.602 -8.439 1.00 72.51 C ATOM 2172 CG HIS A 638 -6.673 -15.179 -7.092 1.00 13.44 C ATOM 2173 ND1 HIS A 638 -5.851 -16.028 -6.388 1.00 13.55 N ATOM 2174 CD2 HIS A 638 -7.736 -14.949 -6.291 1.00 51.44 C ATOM 2175 CE1 HIS A 638 -6.414 -16.272 -5.214 1.00 0.35 C ATOM 2176 NE2 HIS A 638 -7.568 -15.643 -5.097 1.00 54.32 N ATOM 0 H HIS A 638 -5.130 -12.025 -7.809 1.00 14.03 H new ATOM 0 HA HIS A 638 -4.211 -14.775 -8.249 1.00 14.53 H new ATOM 0 HB2 HIS A 638 -7.060 -13.838 -8.695 1.00 72.51 H new ATOM 0 HB3 HIS A 638 -6.408 -15.387 -9.191 1.00 72.51 H new ATOM 0 HD2 HIS A 638 -8.582 -14.325 -6.538 1.00 51.44 H new ATOM 0 HE1 HIS A 638 -5.984 -16.904 -4.451 1.00 0.35 H new ATOM 0 HE2 HIS A 638 -8.203 -15.662 -4.299 1.00 54.32 H new ATOM 2184 N THR A 639 -3.334 -13.579 -10.274 1.00 1.05 N ATOM 2185 CA THR A 639 -2.907 -13.248 -11.591 1.00 40.23 C ATOM 2186 C THR A 639 -2.247 -14.493 -12.199 1.00 13.12 C ATOM 2187 O THR A 639 -1.256 -15.032 -11.673 1.00 43.45 O ATOM 2188 CB THR A 639 -1.982 -11.973 -11.609 1.00 61.23 C ATOM 2189 OG1 THR A 639 -1.724 -11.536 -12.950 1.00 33.11 O ATOM 2190 CG2 THR A 639 -0.670 -12.198 -10.884 1.00 44.43 C ATOM 0 H THR A 639 -2.583 -13.867 -9.647 1.00 1.05 H new ATOM 0 HA THR A 639 -3.761 -12.969 -12.208 1.00 40.23 H new ATOM 0 HB THR A 639 -2.529 -11.194 -11.078 1.00 61.23 H new ATOM 0 HG1 THR A 639 -1.178 -12.206 -13.413 1.00 33.11 H new ATOM 0 HG21 THR A 639 -0.070 -11.289 -10.926 1.00 44.43 H new ATOM 0 HG22 THR A 639 -0.869 -12.454 -9.843 1.00 44.43 H new ATOM 0 HG23 THR A 639 -0.126 -13.014 -11.361 1.00 44.43 H new ATOM 2198 N LYS A 640 -2.866 -15.014 -13.224 1.00 4.53 N ATOM 2199 CA LYS A 640 -2.421 -16.228 -13.849 1.00 13.41 C ATOM 2200 C LYS A 640 -2.737 -16.160 -15.320 1.00 12.13 C ATOM 2201 O LYS A 640 -3.785 -15.643 -15.699 1.00 52.54 O ATOM 2202 CB LYS A 640 -3.106 -17.440 -13.189 1.00 33.12 C ATOM 2203 CG LYS A 640 -2.673 -18.793 -13.741 1.00 10.14 C ATOM 2204 CD LYS A 640 -3.271 -19.957 -12.964 1.00 13.13 C ATOM 2205 CE LYS A 640 -4.756 -20.063 -13.187 1.00 23.22 C ATOM 2206 NZ LYS A 640 -5.371 -21.135 -12.380 1.00 21.43 N ATOM 0 H LYS A 640 -3.698 -14.605 -13.650 1.00 4.53 H new ATOM 0 HA LYS A 640 -1.345 -16.344 -13.723 1.00 13.41 H new ATOM 0 HB2 LYS A 640 -2.902 -17.417 -12.118 1.00 33.12 H new ATOM 0 HB3 LYS A 640 -4.185 -17.341 -13.310 1.00 33.12 H new ATOM 0 HG2 LYS A 640 -2.971 -18.867 -14.787 1.00 10.14 H new ATOM 0 HG3 LYS A 640 -1.586 -18.862 -13.713 1.00 10.14 H new ATOM 0 HD2 LYS A 640 -2.789 -20.886 -13.269 1.00 13.13 H new ATOM 0 HD3 LYS A 640 -3.070 -19.828 -11.901 1.00 13.13 H new ATOM 0 HE2 LYS A 640 -5.227 -19.111 -12.941 1.00 23.22 H new ATOM 0 HE3 LYS A 640 -4.950 -20.250 -14.243 1.00 23.22 H new ATOM 0 HZ1 LYS A 640 -6.393 -21.168 -12.568 1.00 21.43 H new ATOM 0 HZ2 LYS A 640 -4.943 -22.049 -12.632 1.00 21.43 H new ATOM 0 HZ3 LYS A 640 -5.211 -20.945 -11.370 1.00 21.43 H new ATOM 2220 N LEU A 641 -1.847 -16.632 -16.126 1.00 2.03 N ATOM 2221 CA LEU A 641 -2.038 -16.644 -17.546 1.00 21.54 C ATOM 2222 C LEU A 641 -2.047 -18.062 -18.050 1.00 43.13 C ATOM 2223 O LEU A 641 -1.125 -18.811 -17.797 1.00 44.51 O ATOM 2224 CB LEU A 641 -0.920 -15.866 -18.233 1.00 71.21 C ATOM 2225 CG LEU A 641 -0.906 -15.913 -19.761 1.00 64.31 C ATOM 2226 CD1 LEU A 641 -2.150 -15.287 -20.344 1.00 34.52 C ATOM 2227 CD2 LEU A 641 0.326 -15.241 -20.296 1.00 10.41 C ATOM 0 H LEU A 641 -0.957 -17.025 -15.820 1.00 2.03 H new ATOM 0 HA LEU A 641 -2.994 -16.173 -17.775 1.00 21.54 H new ATOM 0 HB2 LEU A 641 -0.987 -14.823 -17.923 1.00 71.21 H new ATOM 0 HB3 LEU A 641 0.035 -16.246 -17.870 1.00 71.21 H new ATOM 0 HG LEU A 641 -0.891 -16.960 -20.063 1.00 64.31 H new ATOM 0 HD11 LEU A 641 -2.107 -15.337 -21.432 1.00 34.52 H new ATOM 0 HD12 LEU A 641 -3.029 -15.826 -19.990 1.00 34.52 H new ATOM 0 HD13 LEU A 641 -2.214 -14.245 -20.031 1.00 34.52 H new ATOM 0 HD21 LEU A 641 0.320 -15.284 -21.385 1.00 10.41 H new ATOM 0 HD22 LEU A 641 0.342 -14.200 -19.974 1.00 10.41 H new ATOM 0 HD23 LEU A 641 1.212 -15.751 -19.918 1.00 10.41 H new ATOM 2239 N GLU A 642 -3.092 -18.447 -18.705 1.00 24.20 N ATOM 2240 CA GLU A 642 -3.121 -19.731 -19.327 1.00 55.03 C ATOM 2241 C GLU A 642 -2.795 -19.521 -20.783 1.00 71.54 C ATOM 2242 O GLU A 642 -3.420 -18.691 -21.452 1.00 73.44 O ATOM 2243 CB GLU A 642 -4.479 -20.389 -19.186 1.00 12.44 C ATOM 2244 CG GLU A 642 -4.453 -21.880 -19.428 1.00 22.21 C ATOM 2245 CD GLU A 642 -5.798 -22.498 -19.202 1.00 33.22 C ATOM 2246 OE1 GLU A 642 -6.640 -22.527 -20.135 1.00 74.23 O ATOM 2247 OE2 GLU A 642 -6.059 -22.958 -18.077 1.00 13.44 O ATOM 0 H GLU A 642 -3.939 -17.891 -18.824 1.00 24.20 H new ATOM 0 HA GLU A 642 -2.399 -20.393 -18.848 1.00 55.03 H new ATOM 0 HB2 GLU A 642 -4.864 -20.198 -18.185 1.00 12.44 H new ATOM 0 HB3 GLU A 642 -5.173 -19.927 -19.888 1.00 12.44 H new ATOM 0 HG2 GLU A 642 -4.128 -22.078 -20.449 1.00 22.21 H new ATOM 0 HG3 GLU A 642 -3.723 -22.344 -18.765 1.00 22.21 H new ATOM 2254 N VAL A 643 -1.811 -20.203 -21.249 1.00 21.44 N ATOM 2255 CA VAL A 643 -1.376 -20.084 -22.607 1.00 2.11 C ATOM 2256 C VAL A 643 -1.743 -21.335 -23.332 1.00 43.12 C ATOM 2257 O VAL A 643 -1.322 -22.434 -22.954 1.00 73.54 O ATOM 2258 CB VAL A 643 0.144 -19.861 -22.715 1.00 32.04 C ATOM 2259 CG1 VAL A 643 0.556 -19.649 -24.163 1.00 1.45 C ATOM 2260 CG2 VAL A 643 0.591 -18.697 -21.848 1.00 31.11 C ATOM 0 H VAL A 643 -1.274 -20.870 -20.696 1.00 21.44 H new ATOM 0 HA VAL A 643 -1.865 -19.215 -23.047 1.00 2.11 H new ATOM 0 HB VAL A 643 0.641 -20.759 -22.348 1.00 32.04 H new ATOM 0 HG11 VAL A 643 1.634 -19.493 -24.216 1.00 1.45 H new ATOM 0 HG12 VAL A 643 0.287 -20.527 -24.750 1.00 1.45 H new ATOM 0 HG13 VAL A 643 0.043 -18.774 -24.563 1.00 1.45 H new ATOM 0 HG21 VAL A 643 1.668 -18.564 -21.945 1.00 31.11 H new ATOM 0 HG22 VAL A 643 0.083 -17.788 -22.169 1.00 31.11 H new ATOM 0 HG23 VAL A 643 0.343 -18.903 -20.807 1.00 31.11 H new ATOM 2270 N ILE A 644 -2.528 -21.184 -24.339 1.00 42.33 N ATOM 2271 CA ILE A 644 -2.988 -22.296 -25.085 1.00 3.42 C ATOM 2272 C ILE A 644 -2.300 -22.312 -26.433 1.00 33.32 C ATOM 2273 O ILE A 644 -2.338 -21.320 -27.178 1.00 15.31 O ATOM 2274 CB ILE A 644 -4.535 -22.289 -25.269 1.00 34.04 C ATOM 2275 CG1 ILE A 644 -5.271 -22.179 -23.905 1.00 53.21 C ATOM 2276 CG2 ILE A 644 -4.993 -23.544 -26.009 1.00 1.31 C ATOM 2277 CD1 ILE A 644 -5.406 -20.775 -23.353 1.00 60.42 C ATOM 0 H ILE A 644 -2.870 -20.281 -24.668 1.00 42.33 H new ATOM 0 HA ILE A 644 -2.741 -23.199 -24.527 1.00 3.42 H new ATOM 0 HB ILE A 644 -4.790 -21.411 -25.863 1.00 34.04 H new ATOM 0 HG12 ILE A 644 -6.268 -22.606 -24.013 1.00 53.21 H new ATOM 0 HG13 ILE A 644 -4.740 -22.789 -23.174 1.00 53.21 H new ATOM 0 HG21 ILE A 644 -6.076 -23.521 -26.128 1.00 1.31 H new ATOM 0 HG22 ILE A 644 -4.521 -23.580 -26.991 1.00 1.31 H new ATOM 0 HG23 ILE A 644 -4.709 -24.427 -25.437 1.00 1.31 H new ATOM 0 HD11 ILE A 644 -5.934 -20.808 -22.400 1.00 60.42 H new ATOM 0 HD12 ILE A 644 -4.415 -20.346 -23.205 1.00 60.42 H new ATOM 0 HD13 ILE A 644 -5.967 -20.160 -24.057 1.00 60.42 H new ATOM 2289 N ILE A 645 -1.657 -23.413 -26.732 1.00 42.35 N ATOM 2290 CA ILE A 645 -0.953 -23.581 -27.973 1.00 44.35 C ATOM 2291 C ILE A 645 -1.694 -24.509 -28.895 1.00 71.24 C ATOM 2292 O ILE A 645 -1.569 -25.735 -28.834 1.00 13.53 O ATOM 2293 CB ILE A 645 0.551 -23.995 -27.849 1.00 73.03 C ATOM 2294 CG1 ILE A 645 0.825 -25.038 -26.721 1.00 33.12 C ATOM 2295 CG2 ILE A 645 1.443 -22.771 -27.718 1.00 0.32 C ATOM 2296 CD1 ILE A 645 0.866 -24.482 -25.308 1.00 32.14 C ATOM 0 H ILE A 645 -1.609 -24.223 -26.114 1.00 42.35 H new ATOM 0 HA ILE A 645 -0.924 -22.580 -28.404 1.00 44.35 H new ATOM 0 HB ILE A 645 0.804 -24.506 -28.778 1.00 73.03 H new ATOM 0 HG12 ILE A 645 0.054 -25.807 -26.767 1.00 33.12 H new ATOM 0 HG13 ILE A 645 1.777 -25.528 -26.927 1.00 33.12 H new ATOM 0 HG21 ILE A 645 2.483 -23.086 -27.633 1.00 0.32 H new ATOM 0 HG22 ILE A 645 1.326 -22.139 -28.599 1.00 0.32 H new ATOM 0 HG23 ILE A 645 1.161 -22.209 -26.828 1.00 0.32 H new ATOM 0 HD11 ILE A 645 1.063 -25.291 -24.604 1.00 32.14 H new ATOM 0 HD12 ILE A 645 1.657 -23.736 -25.233 1.00 32.14 H new ATOM 0 HD13 ILE A 645 -0.092 -24.020 -25.071 1.00 32.14 H new