USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=20 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 541 THR OG1 : rot 38:sc= 0.0889 USER MOD Set 1.2: A 557 CYS SG : rot -7:sc= -2.04! USER MOD Set 2.1: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 639 THR OG1 : rot -57:sc= 0.476 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -132:sc= -0.363 (180deg=-1.21) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 529 SER OG : rot 159:sc= -0.376 USER MOD Single : A 534 ASN : amide:sc= 0.186 K(o=0.19,f=-2.5!) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.91) USER MOD Single : A 545 THR OG1 : rot 23:sc= 1.2 USER MOD Single : A 556 THR OG1 : rot 113:sc= 1.07 USER MOD Single : A 563 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.66) USER MOD Single : A 564 ASN : amide:sc= 0.582 K(o=0.58,f=-6.1!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 47:sc= 0.0815 USER MOD Single : A 585 CYS SG : rot 180:sc= -1.75! USER MOD Single : A 586 SER OG : rot 32:sc= 0.129 USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ -167:sc= -0.834! (180deg=-1.66!) USER MOD Single : A 638 HIS : no HE2:sc= -2.05! C(o=-2.1!,f=-3!) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 3.670 -1.731 -5.349 1.00 44.10 N ATOM 29 CA GLY A 503 3.829 -2.472 -6.550 1.00 4.14 C ATOM 30 C GLY A 503 2.914 -3.664 -6.542 1.00 54.33 C ATOM 31 O GLY A 503 2.969 -4.472 -5.622 1.00 54.15 O ATOM 0 HA2 GLY A 503 3.608 -1.839 -7.410 1.00 4.14 H new ATOM 0 HA3 GLY A 503 4.864 -2.798 -6.652 1.00 4.14 H new ATOM 35 N ILE A 504 2.032 -3.724 -7.498 1.00 33.42 N ATOM 36 CA ILE A 504 1.114 -4.838 -7.665 1.00 24.43 C ATOM 37 C ILE A 504 1.246 -5.329 -9.088 1.00 44.15 C ATOM 38 O ILE A 504 0.956 -4.593 -10.020 1.00 43.20 O ATOM 39 CB ILE A 504 -0.364 -4.428 -7.370 1.00 45.51 C ATOM 40 CG1 ILE A 504 -0.537 -4.045 -5.891 1.00 24.03 C ATOM 41 CG2 ILE A 504 -1.333 -5.548 -7.746 1.00 15.41 C ATOM 42 CD1 ILE A 504 -1.919 -3.531 -5.548 1.00 1.54 C ATOM 0 H ILE A 504 1.921 -2.993 -8.200 1.00 33.42 H new ATOM 0 HA ILE A 504 1.367 -5.624 -6.953 1.00 24.43 H new ATOM 0 HB ILE A 504 -0.597 -3.558 -7.984 1.00 45.51 H new ATOM 0 HG12 ILE A 504 -0.320 -4.916 -5.273 1.00 24.03 H new ATOM 0 HG13 ILE A 504 0.198 -3.282 -5.635 1.00 24.03 H new ATOM 0 HG21 ILE A 504 -2.354 -5.234 -7.529 1.00 15.41 H new ATOM 0 HG22 ILE A 504 -1.239 -5.769 -8.809 1.00 15.41 H new ATOM 0 HG23 ILE A 504 -1.098 -6.442 -7.168 1.00 15.41 H new ATOM 0 HD11 ILE A 504 -1.962 -3.282 -4.488 1.00 1.54 H new ATOM 0 HD12 ILE A 504 -2.133 -2.640 -6.139 1.00 1.54 H new ATOM 0 HD13 ILE A 504 -2.659 -4.300 -5.770 1.00 1.54 H new ATOM 54 N PHE A 505 1.717 -6.532 -9.250 1.00 44.23 N ATOM 55 CA PHE A 505 1.983 -7.073 -10.571 1.00 40.44 C ATOM 56 C PHE A 505 0.914 -8.064 -11.003 1.00 14.52 C ATOM 57 O PHE A 505 0.503 -8.935 -10.230 1.00 24.52 O ATOM 58 CB PHE A 505 3.371 -7.709 -10.604 1.00 65.32 C ATOM 59 CG PHE A 505 4.452 -6.741 -10.226 1.00 44.54 C ATOM 60 CD1 PHE A 505 4.962 -5.856 -11.159 1.00 13.03 C ATOM 61 CD2 PHE A 505 4.935 -6.695 -8.929 1.00 21.21 C ATOM 62 CE1 PHE A 505 5.937 -4.945 -10.810 1.00 44.14 C ATOM 63 CE2 PHE A 505 5.905 -5.782 -8.572 1.00 70.01 C ATOM 64 CZ PHE A 505 6.408 -4.906 -9.512 1.00 51.21 C ATOM 0 H PHE A 505 1.929 -7.169 -8.482 1.00 44.23 H new ATOM 0 HA PHE A 505 1.956 -6.250 -11.285 1.00 40.44 H new ATOM 0 HB2 PHE A 505 3.394 -8.560 -9.923 1.00 65.32 H new ATOM 0 HB3 PHE A 505 3.567 -8.096 -11.604 1.00 65.32 H new ATOM 0 HD1 PHE A 505 4.592 -5.879 -12.173 1.00 13.03 H new ATOM 0 HD2 PHE A 505 4.548 -7.381 -8.190 1.00 21.21 H new ATOM 0 HE1 PHE A 505 6.331 -4.264 -11.550 1.00 44.14 H new ATOM 0 HE2 PHE A 505 6.271 -5.753 -7.556 1.00 70.01 H new ATOM 0 HZ PHE A 505 7.168 -4.191 -9.233 1.00 51.21 H new ATOM 74 N THR A 506 0.470 -7.929 -12.223 1.00 73.51 N ATOM 75 CA THR A 506 -0.559 -8.773 -12.763 1.00 75.14 C ATOM 76 C THR A 506 -0.335 -8.960 -14.276 1.00 42.24 C ATOM 77 O THR A 506 0.444 -8.227 -14.890 1.00 24.31 O ATOM 78 CB THR A 506 -1.969 -8.149 -12.478 1.00 33.40 C ATOM 79 OG1 THR A 506 -3.032 -9.031 -12.897 1.00 70.10 O ATOM 80 CG2 THR A 506 -2.122 -6.799 -13.179 1.00 23.15 C ATOM 0 H THR A 506 0.815 -7.224 -12.875 1.00 73.51 H new ATOM 0 HA THR A 506 -0.517 -9.751 -12.283 1.00 75.14 H new ATOM 0 HB THR A 506 -2.042 -8.003 -11.400 1.00 33.40 H new ATOM 0 HG1 THR A 506 -3.898 -8.614 -12.704 1.00 70.10 H new ATOM 0 HG21 THR A 506 -3.109 -6.388 -12.965 1.00 23.15 H new ATOM 0 HG22 THR A 506 -1.356 -6.112 -12.817 1.00 23.15 H new ATOM 0 HG23 THR A 506 -2.010 -6.933 -14.255 1.00 23.15 H new ATOM 88 N PHE A 507 -0.973 -9.956 -14.851 1.00 61.12 N ATOM 89 CA PHE A 507 -0.900 -10.195 -16.279 1.00 63.22 C ATOM 90 C PHE A 507 -1.898 -9.337 -17.014 1.00 1.15 C ATOM 91 O PHE A 507 -2.840 -8.785 -16.408 1.00 1.22 O ATOM 92 CB PHE A 507 -1.144 -11.671 -16.626 1.00 33.00 C ATOM 93 CG PHE A 507 -0.063 -12.600 -16.174 1.00 33.41 C ATOM 94 CD1 PHE A 507 1.156 -12.621 -16.818 1.00 40.23 C ATOM 95 CD2 PHE A 507 -0.267 -13.461 -15.120 1.00 32.31 C ATOM 96 CE1 PHE A 507 2.148 -13.479 -16.414 1.00 41.42 C ATOM 97 CE2 PHE A 507 0.721 -14.320 -14.707 1.00 43.53 C ATOM 98 CZ PHE A 507 1.931 -14.332 -15.355 1.00 51.11 C ATOM 0 H PHE A 507 -1.556 -10.622 -14.345 1.00 61.12 H new ATOM 0 HA PHE A 507 0.110 -9.932 -16.594 1.00 63.22 H new ATOM 0 HB2 PHE A 507 -2.087 -11.985 -16.178 1.00 33.00 H new ATOM 0 HB3 PHE A 507 -1.257 -11.763 -17.706 1.00 33.00 H new ATOM 0 HD1 PHE A 507 1.332 -11.955 -17.650 1.00 40.23 H new ATOM 0 HD2 PHE A 507 -1.219 -13.461 -14.610 1.00 32.31 H new ATOM 0 HE1 PHE A 507 3.099 -13.485 -16.927 1.00 41.42 H new ATOM 0 HE2 PHE A 507 0.547 -14.985 -13.874 1.00 43.53 H new ATOM 0 HZ PHE A 507 2.710 -15.008 -15.035 1.00 51.11 H new ATOM 108 N GLU A 508 -1.675 -9.202 -18.307 1.00 30.11 N ATOM 109 CA GLU A 508 -2.570 -8.478 -19.179 1.00 23.42 C ATOM 110 C GLU A 508 -3.916 -9.191 -19.218 1.00 73.14 C ATOM 111 O GLU A 508 -4.957 -8.624 -18.870 1.00 11.50 O ATOM 112 CB GLU A 508 -1.972 -8.404 -20.589 1.00 35.13 C ATOM 113 CG GLU A 508 -0.614 -7.718 -20.656 1.00 40.53 C ATOM 114 CD GLU A 508 -0.065 -7.666 -22.057 1.00 24.21 C ATOM 115 OE1 GLU A 508 -0.638 -6.946 -22.903 1.00 13.30 O ATOM 116 OE2 GLU A 508 0.937 -8.356 -22.367 1.00 33.20 O ATOM 0 H GLU A 508 -0.862 -9.595 -18.782 1.00 30.11 H new ATOM 0 HA GLU A 508 -2.709 -7.464 -18.803 1.00 23.42 H new ATOM 0 HB2 GLU A 508 -1.876 -9.415 -20.984 1.00 35.13 H new ATOM 0 HB3 GLU A 508 -2.667 -7.873 -21.239 1.00 35.13 H new ATOM 0 HG2 GLU A 508 -0.703 -6.704 -20.266 1.00 40.53 H new ATOM 0 HG3 GLU A 508 0.089 -8.247 -20.013 1.00 40.53 H new ATOM 123 N GLU A 509 -3.877 -10.442 -19.569 1.00 63.33 N ATOM 124 CA GLU A 509 -5.065 -11.253 -19.658 1.00 55.42 C ATOM 125 C GLU A 509 -4.894 -12.469 -18.787 1.00 45.24 C ATOM 126 O GLU A 509 -3.772 -12.798 -18.424 1.00 2.25 O ATOM 127 CB GLU A 509 -5.335 -11.694 -21.103 1.00 73.13 C ATOM 128 CG GLU A 509 -5.679 -10.572 -22.050 1.00 22.44 C ATOM 129 CD GLU A 509 -6.116 -11.085 -23.396 1.00 42.22 C ATOM 130 OE1 GLU A 509 -5.265 -11.313 -24.265 1.00 11.52 O ATOM 131 OE2 GLU A 509 -7.331 -11.256 -23.611 1.00 44.32 O ATOM 0 H GLU A 509 -3.016 -10.936 -19.804 1.00 63.33 H new ATOM 0 HA GLU A 509 -5.915 -10.659 -19.322 1.00 55.42 H new ATOM 0 HB2 GLU A 509 -4.454 -12.213 -21.481 1.00 73.13 H new ATOM 0 HB3 GLU A 509 -6.153 -12.414 -21.102 1.00 73.13 H new ATOM 0 HG2 GLU A 509 -6.474 -9.964 -21.618 1.00 22.44 H new ATOM 0 HG3 GLU A 509 -4.812 -9.923 -22.173 1.00 22.44 H new ATOM 138 N PRO A 510 -5.985 -13.127 -18.389 1.00 35.10 N ATOM 139 CA PRO A 510 -5.885 -14.367 -17.646 1.00 40.31 C ATOM 140 C PRO A 510 -5.678 -15.563 -18.586 1.00 41.21 C ATOM 141 O PRO A 510 -5.238 -16.630 -18.173 1.00 53.24 O ATOM 142 CB PRO A 510 -7.234 -14.458 -16.927 1.00 34.25 C ATOM 143 CG PRO A 510 -8.194 -13.707 -17.791 1.00 25.04 C ATOM 144 CD PRO A 510 -7.392 -12.686 -18.563 1.00 44.12 C ATOM 0 HA PRO A 510 -5.036 -14.385 -16.963 1.00 40.31 H new ATOM 0 HB2 PRO A 510 -7.545 -15.496 -16.804 1.00 34.25 H new ATOM 0 HB3 PRO A 510 -7.178 -14.022 -15.930 1.00 34.25 H new ATOM 0 HG2 PRO A 510 -8.711 -14.384 -18.471 1.00 25.04 H new ATOM 0 HG3 PRO A 510 -8.957 -13.219 -17.185 1.00 25.04 H new ATOM 0 HD2 PRO A 510 -7.677 -12.667 -19.615 1.00 44.12 H new ATOM 0 HD3 PRO A 510 -7.546 -11.680 -18.173 1.00 44.12 H new ATOM 152 N VAL A 511 -5.991 -15.364 -19.854 1.00 44.13 N ATOM 153 CA VAL A 511 -5.877 -16.388 -20.869 1.00 10.53 C ATOM 154 C VAL A 511 -5.388 -15.763 -22.161 1.00 41.34 C ATOM 155 O VAL A 511 -5.911 -14.734 -22.583 1.00 23.05 O ATOM 156 CB VAL A 511 -7.251 -17.094 -21.135 1.00 61.01 C ATOM 157 CG1 VAL A 511 -7.158 -18.026 -22.317 1.00 54.21 C ATOM 158 CG2 VAL A 511 -7.706 -17.884 -19.929 1.00 14.15 C ATOM 0 H VAL A 511 -6.336 -14.472 -20.209 1.00 44.13 H new ATOM 0 HA VAL A 511 -5.170 -17.136 -20.511 1.00 10.53 H new ATOM 0 HB VAL A 511 -7.977 -16.308 -21.344 1.00 61.01 H new ATOM 0 HG11 VAL A 511 -8.124 -18.503 -22.481 1.00 54.21 H new ATOM 0 HG12 VAL A 511 -6.878 -17.460 -23.205 1.00 54.21 H new ATOM 0 HG13 VAL A 511 -6.405 -18.789 -22.120 1.00 54.21 H new ATOM 0 HG21 VAL A 511 -8.662 -18.361 -20.146 1.00 14.15 H new ATOM 0 HG22 VAL A 511 -6.964 -18.647 -19.693 1.00 14.15 H new ATOM 0 HG23 VAL A 511 -7.820 -17.214 -19.077 1.00 14.15 H new ATOM 168 N THR A 512 -4.381 -16.351 -22.747 1.00 61.24 N ATOM 169 CA THR A 512 -3.888 -15.925 -24.019 1.00 20.43 C ATOM 170 C THR A 512 -3.687 -17.160 -24.905 1.00 35.14 C ATOM 171 O THR A 512 -3.285 -18.239 -24.429 1.00 44.54 O ATOM 172 CB THR A 512 -2.566 -15.078 -23.915 1.00 10.43 C ATOM 173 OG1 THR A 512 -2.238 -14.508 -25.192 1.00 44.54 O ATOM 174 CG2 THR A 512 -1.388 -15.929 -23.453 1.00 20.41 C ATOM 0 H THR A 512 -3.879 -17.145 -22.349 1.00 61.24 H new ATOM 0 HA THR A 512 -4.626 -15.259 -24.465 1.00 20.43 H new ATOM 0 HB THR A 512 -2.747 -14.292 -23.182 1.00 10.43 H new ATOM 0 HG1 THR A 512 -1.415 -13.982 -25.114 1.00 44.54 H new ATOM 0 HG21 THR A 512 -0.493 -15.310 -23.393 1.00 20.41 H new ATOM 0 HG22 THR A 512 -1.605 -16.348 -22.471 1.00 20.41 H new ATOM 0 HG23 THR A 512 -1.222 -16.738 -24.164 1.00 20.41 H new ATOM 182 N HIS A 513 -4.006 -17.032 -26.140 1.00 21.13 N ATOM 183 CA HIS A 513 -3.836 -18.096 -27.070 1.00 33.40 C ATOM 184 C HIS A 513 -2.889 -17.647 -28.153 1.00 0.44 C ATOM 185 O HIS A 513 -3.155 -16.683 -28.869 1.00 73.12 O ATOM 186 CB HIS A 513 -5.195 -18.611 -27.596 1.00 61.33 C ATOM 187 CG HIS A 513 -6.120 -17.583 -28.216 1.00 11.22 C ATOM 188 ND1 HIS A 513 -6.412 -17.529 -29.551 1.00 1.32 N ATOM 189 CD2 HIS A 513 -6.866 -16.609 -27.635 1.00 2.35 C ATOM 190 CE1 HIS A 513 -7.300 -16.562 -29.747 1.00 31.25 C ATOM 191 NE2 HIS A 513 -7.615 -15.965 -28.614 1.00 73.24 N ATOM 0 H HIS A 513 -4.396 -16.180 -26.542 1.00 21.13 H new ATOM 0 HA HIS A 513 -3.387 -18.959 -26.579 1.00 33.40 H new ATOM 0 HB2 HIS A 513 -5.001 -19.385 -28.338 1.00 61.33 H new ATOM 0 HB3 HIS A 513 -5.721 -19.087 -26.769 1.00 61.33 H new ATOM 0 HD2 HIS A 513 -6.876 -16.372 -26.581 1.00 2.35 H new ATOM 0 HE1 HIS A 513 -7.711 -16.298 -30.710 1.00 31.25 H new ATOM 0 HE2 HIS A 513 -8.270 -15.194 -28.483 1.00 73.24 H new ATOM 199 N VAL A 514 -1.774 -18.309 -28.247 1.00 61.22 N ATOM 200 CA VAL A 514 -0.731 -17.880 -29.134 1.00 33.14 C ATOM 201 C VAL A 514 -0.616 -18.758 -30.357 1.00 15.21 C ATOM 202 O VAL A 514 -1.152 -19.871 -30.400 1.00 52.43 O ATOM 203 CB VAL A 514 0.645 -17.751 -28.414 1.00 43.11 C ATOM 204 CG1 VAL A 514 0.619 -16.603 -27.413 1.00 44.50 C ATOM 205 CG2 VAL A 514 1.014 -19.046 -27.707 1.00 41.13 C ATOM 0 H VAL A 514 -1.562 -19.154 -27.717 1.00 61.22 H new ATOM 0 HA VAL A 514 -1.021 -16.885 -29.471 1.00 33.14 H new ATOM 0 HB VAL A 514 1.400 -17.543 -29.172 1.00 43.11 H new ATOM 0 HG11 VAL A 514 1.588 -16.528 -26.920 1.00 44.50 H new ATOM 0 HG12 VAL A 514 0.404 -15.670 -27.935 1.00 44.50 H new ATOM 0 HG13 VAL A 514 -0.154 -16.788 -26.667 1.00 44.50 H new ATOM 0 HG21 VAL A 514 1.978 -18.929 -27.213 1.00 41.13 H new ATOM 0 HG22 VAL A 514 0.253 -19.285 -26.965 1.00 41.13 H new ATOM 0 HG23 VAL A 514 1.076 -19.854 -28.436 1.00 41.13 H new ATOM 215 N SER A 515 0.055 -18.234 -31.350 1.00 55.20 N ATOM 216 CA SER A 515 0.282 -18.919 -32.584 1.00 71.22 C ATOM 217 C SER A 515 1.344 -20.012 -32.392 1.00 63.01 C ATOM 218 O SER A 515 2.346 -19.802 -31.710 1.00 52.24 O ATOM 219 CB SER A 515 0.721 -17.889 -33.615 1.00 73.51 C ATOM 220 OG SER A 515 -0.218 -16.814 -33.646 1.00 62.24 O ATOM 0 H SER A 515 0.465 -17.300 -31.317 1.00 55.20 H new ATOM 0 HA SER A 515 -0.628 -19.411 -32.928 1.00 71.22 H new ATOM 0 HB2 SER A 515 1.713 -17.512 -33.368 1.00 73.51 H new ATOM 0 HB3 SER A 515 0.792 -18.352 -34.599 1.00 73.51 H new ATOM 0 HG SER A 515 0.066 -16.150 -34.309 1.00 62.24 H new ATOM 226 N GLU A 516 1.110 -21.166 -32.986 1.00 51.32 N ATOM 227 CA GLU A 516 1.992 -22.326 -32.867 1.00 72.43 C ATOM 228 C GLU A 516 3.403 -21.993 -33.361 1.00 25.44 C ATOM 229 O GLU A 516 4.394 -22.468 -32.817 1.00 50.53 O ATOM 230 CB GLU A 516 1.474 -23.535 -33.696 1.00 31.14 C ATOM 231 CG GLU A 516 -0.043 -23.751 -33.718 1.00 4.42 C ATOM 232 CD GLU A 516 -0.734 -22.883 -34.758 1.00 32.42 C ATOM 233 OE1 GLU A 516 -1.086 -21.724 -34.457 1.00 63.15 O ATOM 234 OE2 GLU A 516 -0.906 -23.337 -35.907 1.00 30.34 O ATOM 0 H GLU A 516 0.293 -21.333 -33.574 1.00 51.32 H new ATOM 0 HA GLU A 516 2.009 -22.589 -31.809 1.00 72.43 H new ATOM 0 HB2 GLU A 516 1.816 -23.415 -34.724 1.00 31.14 H new ATOM 0 HB3 GLU A 516 1.942 -24.440 -33.308 1.00 31.14 H new ATOM 0 HG2 GLU A 516 -0.256 -24.800 -33.924 1.00 4.42 H new ATOM 0 HG3 GLU A 516 -0.454 -23.530 -32.733 1.00 4.42 H new ATOM 241 N SER A 517 3.483 -21.144 -34.362 1.00 54.42 N ATOM 242 CA SER A 517 4.740 -20.839 -35.000 1.00 0.31 C ATOM 243 C SER A 517 5.222 -19.404 -34.704 1.00 0.34 C ATOM 244 O SER A 517 6.022 -18.849 -35.458 1.00 1.01 O ATOM 245 CB SER A 517 4.584 -21.064 -36.503 1.00 34.41 C ATOM 246 OG SER A 517 4.145 -22.404 -36.762 1.00 52.30 O ATOM 0 H SER A 517 2.682 -20.649 -34.753 1.00 54.42 H new ATOM 0 HA SER A 517 5.506 -21.501 -34.595 1.00 0.31 H new ATOM 0 HB2 SER A 517 3.866 -20.353 -36.911 1.00 34.41 H new ATOM 0 HB3 SER A 517 5.534 -20.882 -37.006 1.00 34.41 H new ATOM 0 HG SER A 517 4.047 -22.535 -37.728 1.00 52.30 H new ATOM 252 N ILE A 518 4.794 -18.833 -33.582 1.00 44.43 N ATOM 253 CA ILE A 518 5.182 -17.455 -33.237 1.00 22.34 C ATOM 254 C ILE A 518 6.672 -17.349 -32.832 1.00 34.43 C ATOM 255 O ILE A 518 7.347 -16.352 -33.116 1.00 33.31 O ATOM 256 CB ILE A 518 4.280 -16.849 -32.110 1.00 51.02 C ATOM 257 CG1 ILE A 518 4.656 -15.387 -31.846 1.00 64.21 C ATOM 258 CG2 ILE A 518 4.366 -17.666 -30.817 1.00 54.12 C ATOM 259 CD1 ILE A 518 3.802 -14.706 -30.814 1.00 63.34 C ATOM 0 H ILE A 518 4.187 -19.289 -32.900 1.00 44.43 H new ATOM 0 HA ILE A 518 5.032 -16.871 -34.145 1.00 22.34 H new ATOM 0 HB ILE A 518 3.248 -16.889 -32.459 1.00 51.02 H new ATOM 0 HG12 ILE A 518 5.697 -15.344 -31.525 1.00 64.21 H new ATOM 0 HG13 ILE A 518 4.587 -14.832 -32.781 1.00 64.21 H new ATOM 0 HG21 ILE A 518 3.727 -17.215 -30.058 1.00 54.12 H new ATOM 0 HG22 ILE A 518 4.036 -18.687 -31.009 1.00 54.12 H new ATOM 0 HG23 ILE A 518 5.397 -17.678 -30.462 1.00 54.12 H new ATOM 0 HD11 ILE A 518 4.135 -13.676 -30.688 1.00 63.34 H new ATOM 0 HD12 ILE A 518 2.762 -14.714 -31.140 1.00 63.34 H new ATOM 0 HD13 ILE A 518 3.889 -15.234 -29.864 1.00 63.34 H new ATOM 271 N GLY A 519 7.187 -18.375 -32.212 1.00 1.23 N ATOM 272 CA GLY A 519 8.538 -18.323 -31.727 1.00 32.12 C ATOM 273 C GLY A 519 8.582 -17.788 -30.316 1.00 0.32 C ATOM 274 O GLY A 519 8.717 -18.554 -29.373 1.00 62.21 O ATOM 0 H GLY A 519 6.696 -19.251 -32.032 1.00 1.23 H new ATOM 0 HA2 GLY A 519 8.978 -19.320 -31.756 1.00 32.12 H new ATOM 0 HA3 GLY A 519 9.139 -17.690 -32.380 1.00 32.12 H new ATOM 278 N ILE A 520 8.403 -16.486 -30.168 1.00 72.51 N ATOM 279 CA ILE A 520 8.455 -15.848 -28.861 1.00 34.42 C ATOM 280 C ILE A 520 7.143 -15.172 -28.568 1.00 35.32 C ATOM 281 O ILE A 520 6.698 -14.321 -29.329 1.00 33.35 O ATOM 282 CB ILE A 520 9.586 -14.760 -28.784 1.00 22.11 C ATOM 283 CG1 ILE A 520 10.972 -15.375 -28.966 1.00 33.41 C ATOM 284 CG2 ILE A 520 9.523 -13.966 -27.474 1.00 1.34 C ATOM 285 CD1 ILE A 520 11.356 -16.330 -27.865 1.00 44.24 C ATOM 0 H ILE A 520 8.219 -15.846 -30.941 1.00 72.51 H new ATOM 0 HA ILE A 520 8.664 -16.631 -28.132 1.00 34.42 H new ATOM 0 HB ILE A 520 9.410 -14.068 -29.607 1.00 22.11 H new ATOM 0 HG12 ILE A 520 11.005 -15.901 -29.920 1.00 33.41 H new ATOM 0 HG13 ILE A 520 11.711 -14.576 -29.017 1.00 33.41 H new ATOM 0 HG21 ILE A 520 10.321 -13.224 -27.460 1.00 1.34 H new ATOM 0 HG22 ILE A 520 8.559 -13.463 -27.399 1.00 1.34 H new ATOM 0 HG23 ILE A 520 9.644 -14.646 -26.630 1.00 1.34 H new ATOM 0 HD11 ILE A 520 12.352 -16.728 -28.060 1.00 44.24 H new ATOM 0 HD12 ILE A 520 11.356 -15.804 -26.910 1.00 44.24 H new ATOM 0 HD13 ILE A 520 10.638 -17.150 -27.828 1.00 44.24 H new ATOM 297 N MET A 521 6.537 -15.536 -27.480 1.00 25.23 N ATOM 298 CA MET A 521 5.350 -14.857 -27.032 1.00 1.44 C ATOM 299 C MET A 521 5.759 -13.774 -26.043 1.00 73.31 C ATOM 300 O MET A 521 6.548 -14.031 -25.134 1.00 11.40 O ATOM 301 CB MET A 521 4.335 -15.828 -26.415 1.00 21.20 C ATOM 302 CG MET A 521 4.889 -16.689 -25.294 1.00 52.44 C ATOM 303 SD MET A 521 3.638 -17.694 -24.483 1.00 25.42 S ATOM 304 CE MET A 521 2.601 -16.422 -23.776 1.00 44.23 C ATOM 0 H MET A 521 6.843 -16.302 -26.880 1.00 25.23 H new ATOM 0 HA MET A 521 4.851 -14.402 -27.888 1.00 1.44 H new ATOM 0 HB2 MET A 521 3.490 -15.256 -26.033 1.00 21.20 H new ATOM 0 HB3 MET A 521 3.950 -16.479 -27.200 1.00 21.20 H new ATOM 0 HG2 MET A 521 5.664 -17.341 -25.696 1.00 52.44 H new ATOM 0 HG3 MET A 521 5.365 -16.046 -24.553 1.00 52.44 H new ATOM 0 HE1 MET A 521 2.399 -16.656 -22.731 1.00 44.23 H new ATOM 0 HE2 MET A 521 3.110 -15.460 -23.841 1.00 44.23 H new ATOM 0 HE3 MET A 521 1.660 -16.373 -24.325 1.00 44.23 H new ATOM 314 N GLU A 522 5.267 -12.575 -26.262 1.00 10.22 N ATOM 315 CA GLU A 522 5.597 -11.415 -25.460 1.00 5.54 C ATOM 316 C GLU A 522 4.442 -11.021 -24.557 1.00 43.32 C ATOM 317 O GLU A 522 3.373 -10.601 -25.034 1.00 51.12 O ATOM 318 CB GLU A 522 5.940 -10.250 -26.380 1.00 70.14 C ATOM 319 CG GLU A 522 7.252 -10.402 -27.111 1.00 23.40 C ATOM 320 CD GLU A 522 7.378 -9.438 -28.245 1.00 55.13 C ATOM 321 OE1 GLU A 522 7.530 -8.220 -28.007 1.00 13.12 O ATOM 322 OE2 GLU A 522 7.298 -9.875 -29.409 1.00 54.23 O ATOM 0 H GLU A 522 4.613 -12.374 -27.018 1.00 10.22 H new ATOM 0 HA GLU A 522 6.451 -11.665 -24.830 1.00 5.54 H new ATOM 0 HB2 GLU A 522 5.141 -10.133 -27.112 1.00 70.14 H new ATOM 0 HB3 GLU A 522 5.970 -9.333 -25.791 1.00 70.14 H new ATOM 0 HG2 GLU A 522 8.075 -10.250 -26.413 1.00 23.40 H new ATOM 0 HG3 GLU A 522 7.340 -11.420 -27.490 1.00 23.40 H new ATOM 329 N VAL A 523 4.642 -11.161 -23.277 1.00 40.34 N ATOM 330 CA VAL A 523 3.629 -10.794 -22.302 1.00 13.25 C ATOM 331 C VAL A 523 4.172 -9.721 -21.386 1.00 24.34 C ATOM 332 O VAL A 523 5.278 -9.856 -20.876 1.00 0.42 O ATOM 333 CB VAL A 523 3.189 -12.011 -21.447 1.00 23.14 C ATOM 334 CG1 VAL A 523 2.115 -11.621 -20.434 1.00 40.11 C ATOM 335 CG2 VAL A 523 2.697 -13.137 -22.333 1.00 53.00 C ATOM 0 H VAL A 523 5.503 -11.529 -22.872 1.00 40.34 H new ATOM 0 HA VAL A 523 2.761 -10.426 -22.848 1.00 13.25 H new ATOM 0 HB VAL A 523 4.061 -12.359 -20.893 1.00 23.14 H new ATOM 0 HG11 VAL A 523 1.829 -12.497 -19.851 1.00 40.11 H new ATOM 0 HG12 VAL A 523 2.506 -10.853 -19.767 1.00 40.11 H new ATOM 0 HG13 VAL A 523 1.242 -11.234 -20.960 1.00 40.11 H new ATOM 0 HG21 VAL A 523 2.393 -13.981 -21.714 1.00 53.00 H new ATOM 0 HG22 VAL A 523 1.846 -12.793 -22.920 1.00 53.00 H new ATOM 0 HG23 VAL A 523 3.498 -13.449 -23.004 1.00 53.00 H new ATOM 345 N LYS A 524 3.420 -8.669 -21.192 1.00 24.13 N ATOM 346 CA LYS A 524 3.819 -7.623 -20.294 1.00 3.05 C ATOM 347 C LYS A 524 3.255 -7.869 -18.919 1.00 33.31 C ATOM 348 O LYS A 524 2.079 -8.220 -18.765 1.00 53.43 O ATOM 349 CB LYS A 524 3.368 -6.244 -20.783 1.00 74.21 C ATOM 350 CG LYS A 524 4.140 -5.688 -21.964 1.00 50.20 C ATOM 351 CD LYS A 524 3.573 -4.338 -22.376 1.00 12.13 C ATOM 352 CE LYS A 524 4.398 -3.687 -23.469 1.00 74.30 C ATOM 353 NZ LYS A 524 3.797 -2.420 -23.926 1.00 42.24 N ATOM 0 H LYS A 524 2.521 -8.516 -21.649 1.00 24.13 H new ATOM 0 HA LYS A 524 4.908 -7.633 -20.257 1.00 3.05 H new ATOM 0 HB2 LYS A 524 2.314 -6.300 -21.054 1.00 74.21 H new ATOM 0 HB3 LYS A 524 3.447 -5.540 -19.955 1.00 74.21 H new ATOM 0 HG2 LYS A 524 5.193 -5.583 -21.702 1.00 50.20 H new ATOM 0 HG3 LYS A 524 4.087 -6.383 -22.802 1.00 50.20 H new ATOM 0 HD2 LYS A 524 2.548 -4.466 -22.723 1.00 12.13 H new ATOM 0 HD3 LYS A 524 3.536 -3.680 -21.508 1.00 12.13 H new ATOM 0 HE2 LYS A 524 5.406 -3.499 -23.100 1.00 74.30 H new ATOM 0 HE3 LYS A 524 4.489 -4.371 -24.312 1.00 74.30 H new ATOM 0 HZ1 LYS A 524 4.389 -2.005 -24.673 1.00 42.24 H new ATOM 0 HZ2 LYS A 524 2.844 -2.603 -24.301 1.00 42.24 H new ATOM 0 HZ3 LYS A 524 3.733 -1.758 -23.127 1.00 42.24 H new ATOM 367 N VAL A 525 4.083 -7.725 -17.935 1.00 43.32 N ATOM 368 CA VAL A 525 3.632 -7.803 -16.581 1.00 65.30 C ATOM 369 C VAL A 525 3.255 -6.410 -16.164 1.00 30.41 C ATOM 370 O VAL A 525 4.098 -5.503 -16.112 1.00 30.41 O ATOM 371 CB VAL A 525 4.686 -8.409 -15.623 1.00 13.03 C ATOM 372 CG1 VAL A 525 4.192 -8.395 -14.181 1.00 51.20 C ATOM 373 CG2 VAL A 525 5.001 -9.826 -16.039 1.00 52.34 C ATOM 0 H VAL A 525 5.082 -7.552 -18.044 1.00 43.32 H new ATOM 0 HA VAL A 525 2.779 -8.479 -16.523 1.00 65.30 H new ATOM 0 HB VAL A 525 5.588 -7.800 -15.681 1.00 13.03 H new ATOM 0 HG11 VAL A 525 4.953 -8.827 -13.531 1.00 51.20 H new ATOM 0 HG12 VAL A 525 3.993 -7.368 -13.874 1.00 51.20 H new ATOM 0 HG13 VAL A 525 3.276 -8.980 -14.105 1.00 51.20 H new ATOM 0 HG21 VAL A 525 5.743 -10.248 -15.361 1.00 52.34 H new ATOM 0 HG22 VAL A 525 4.092 -10.427 -16.001 1.00 52.34 H new ATOM 0 HG23 VAL A 525 5.395 -9.828 -17.055 1.00 52.34 H new ATOM 383 N LEU A 526 2.001 -6.231 -15.923 1.00 24.30 N ATOM 384 CA LEU A 526 1.462 -4.953 -15.625 1.00 22.40 C ATOM 385 C LEU A 526 1.606 -4.676 -14.156 1.00 31.44 C ATOM 386 O LEU A 526 1.615 -5.597 -13.339 1.00 23.31 O ATOM 387 CB LEU A 526 -0.010 -4.894 -16.040 1.00 52.54 C ATOM 388 CG LEU A 526 -0.310 -5.244 -17.506 1.00 15.22 C ATOM 389 CD1 LEU A 526 -1.795 -5.166 -17.770 1.00 32.34 C ATOM 390 CD2 LEU A 526 0.446 -4.329 -18.458 1.00 11.25 C ATOM 0 H LEU A 526 1.312 -6.983 -15.928 1.00 24.30 H new ATOM 0 HA LEU A 526 2.008 -4.192 -16.183 1.00 22.40 H new ATOM 0 HB2 LEU A 526 -0.575 -5.574 -15.402 1.00 52.54 H new ATOM 0 HB3 LEU A 526 -0.383 -3.889 -15.843 1.00 52.54 H new ATOM 0 HG LEU A 526 0.028 -6.265 -17.684 1.00 15.22 H new ATOM 0 HD11 LEU A 526 -1.993 -5.416 -18.812 1.00 32.34 H new ATOM 0 HD12 LEU A 526 -2.317 -5.870 -17.122 1.00 32.34 H new ATOM 0 HD13 LEU A 526 -2.148 -4.155 -17.566 1.00 32.34 H new ATOM 0 HD21 LEU A 526 0.213 -4.602 -19.487 1.00 11.25 H new ATOM 0 HD22 LEU A 526 0.150 -3.295 -18.281 1.00 11.25 H new ATOM 0 HD23 LEU A 526 1.518 -4.434 -18.289 1.00 11.25 H new ATOM 402 N ARG A 527 1.719 -3.429 -13.829 1.00 21.30 N ATOM 403 CA ARG A 527 1.864 -3.015 -12.474 1.00 3.25 C ATOM 404 C ARG A 527 0.735 -2.058 -12.149 1.00 41.11 C ATOM 405 O ARG A 527 0.723 -0.918 -12.600 1.00 5.22 O ATOM 406 CB ARG A 527 3.285 -2.432 -12.163 1.00 70.54 C ATOM 407 CG ARG A 527 3.754 -1.196 -12.967 1.00 75.13 C ATOM 408 CD ARG A 527 4.047 -1.500 -14.433 1.00 44.42 C ATOM 409 NE ARG A 527 4.467 -0.297 -15.157 1.00 31.52 N ATOM 410 CZ ARG A 527 4.071 0.060 -16.388 1.00 61.14 C ATOM 411 NH1 ARG A 527 3.277 -0.734 -17.102 1.00 50.15 N ATOM 412 NH2 ARG A 527 4.495 1.202 -16.903 1.00 13.13 N ATOM 0 H ARG A 527 1.713 -2.663 -14.503 1.00 21.30 H new ATOM 0 HA ARG A 527 1.791 -3.883 -11.819 1.00 3.25 H new ATOM 0 HB2 ARG A 527 3.316 -2.173 -11.105 1.00 70.54 H new ATOM 0 HB3 ARG A 527 4.014 -3.228 -12.318 1.00 70.54 H new ATOM 0 HG2 ARG A 527 2.987 -0.423 -12.910 1.00 75.13 H new ATOM 0 HG3 ARG A 527 4.652 -0.789 -12.502 1.00 75.13 H new ATOM 0 HD2 ARG A 527 4.828 -2.257 -14.500 1.00 44.42 H new ATOM 0 HD3 ARG A 527 3.157 -1.917 -14.904 1.00 44.42 H new ATOM 0 HE ARG A 527 5.120 0.326 -14.681 1.00 31.52 H new ATOM 0 HH11 ARG A 527 2.963 -1.624 -16.714 1.00 50.15 H new ATOM 0 HH12 ARG A 527 2.982 -0.453 -18.037 1.00 50.15 H new ATOM 0 HH21 ARG A 527 5.118 1.804 -16.365 1.00 13.13 H new ATOM 0 HH22 ARG A 527 4.199 1.481 -17.838 1.00 13.13 H new ATOM 426 N THR A 528 -0.222 -2.562 -11.418 1.00 4.13 N ATOM 427 CA THR A 528 -1.453 -1.876 -11.120 1.00 71.42 C ATOM 428 C THR A 528 -1.213 -0.603 -10.290 1.00 40.21 C ATOM 429 O THR A 528 -1.467 0.505 -10.762 1.00 52.22 O ATOM 430 CB THR A 528 -2.363 -2.845 -10.361 1.00 50.41 C ATOM 431 OG1 THR A 528 -2.253 -4.136 -10.984 1.00 20.43 O ATOM 432 CG2 THR A 528 -3.806 -2.390 -10.420 1.00 53.45 C ATOM 0 H THR A 528 -0.166 -3.491 -11.000 1.00 4.13 H new ATOM 0 HA THR A 528 -1.921 -1.559 -12.052 1.00 71.42 H new ATOM 0 HB THR A 528 -2.058 -2.883 -9.315 1.00 50.41 H new ATOM 0 HG1 THR A 528 -2.827 -4.776 -10.514 1.00 20.43 H new ATOM 0 HG21 THR A 528 -4.432 -3.095 -9.873 1.00 53.45 H new ATOM 0 HG22 THR A 528 -3.894 -1.401 -9.970 1.00 53.45 H new ATOM 0 HG23 THR A 528 -4.131 -2.346 -11.459 1.00 53.45 H new ATOM 440 N SER A 529 -0.698 -0.756 -9.085 1.00 1.11 N ATOM 441 CA SER A 529 -0.402 0.381 -8.252 1.00 54.42 C ATOM 442 C SER A 529 0.843 1.107 -8.752 1.00 4.03 C ATOM 443 O SER A 529 0.950 2.336 -8.679 1.00 33.23 O ATOM 444 CB SER A 529 -0.265 -0.067 -6.808 1.00 41.33 C ATOM 445 OG SER A 529 0.549 -1.216 -6.722 1.00 32.42 O ATOM 0 H SER A 529 -0.478 -1.659 -8.666 1.00 1.11 H new ATOM 0 HA SER A 529 -1.224 1.095 -8.305 1.00 54.42 H new ATOM 0 HB2 SER A 529 0.166 0.737 -6.211 1.00 41.33 H new ATOM 0 HB3 SER A 529 -1.250 -0.280 -6.392 1.00 41.33 H new ATOM 0 HG SER A 529 0.904 -1.298 -5.812 1.00 32.42 H new ATOM 451 N GLY A 530 1.757 0.338 -9.281 1.00 63.45 N ATOM 452 CA GLY A 530 2.975 0.852 -9.794 1.00 32.01 C ATOM 453 C GLY A 530 4.093 -0.068 -9.441 1.00 23.53 C ATOM 454 O GLY A 530 3.873 -1.277 -9.319 1.00 52.13 O ATOM 0 H GLY A 530 1.665 -0.674 -9.363 1.00 63.45 H new ATOM 0 HA2 GLY A 530 2.908 0.961 -10.876 1.00 32.01 H new ATOM 0 HA3 GLY A 530 3.164 1.844 -9.385 1.00 32.01 H new ATOM 458 N ALA A 531 5.256 0.482 -9.253 1.00 4.11 N ATOM 459 CA ALA A 531 6.440 -0.248 -8.880 1.00 12.22 C ATOM 460 C ALA A 531 7.424 0.762 -8.361 1.00 52.03 C ATOM 461 O ALA A 531 7.442 1.890 -8.856 1.00 54.14 O ATOM 462 CB ALA A 531 7.033 -0.985 -10.081 1.00 1.32 C ATOM 0 H ALA A 531 5.416 1.484 -9.358 1.00 4.11 H new ATOM 0 HA ALA A 531 6.202 -0.999 -8.127 1.00 12.22 H new ATOM 0 HB1 ALA A 531 7.926 -1.528 -9.770 1.00 1.32 H new ATOM 0 HB2 ALA A 531 6.299 -1.689 -10.475 1.00 1.32 H new ATOM 0 HB3 ALA A 531 7.297 -0.265 -10.856 1.00 1.32 H new ATOM 468 N ARG A 532 8.196 0.402 -7.363 1.00 51.42 N ATOM 469 CA ARG A 532 9.171 1.298 -6.771 1.00 25.35 C ATOM 470 C ARG A 532 10.360 0.574 -6.241 1.00 45.24 C ATOM 471 O ARG A 532 10.225 -0.432 -5.542 1.00 34.33 O ATOM 472 CB ARG A 532 8.583 2.154 -5.671 1.00 14.15 C ATOM 473 CG ARG A 532 7.770 3.292 -6.202 1.00 64.10 C ATOM 474 CD ARG A 532 7.512 4.285 -5.152 1.00 45.11 C ATOM 475 NE ARG A 532 6.899 5.483 -5.704 1.00 20.33 N ATOM 476 CZ ARG A 532 6.729 6.621 -5.052 1.00 42.31 C ATOM 477 NH1 ARG A 532 6.974 6.684 -3.745 1.00 60.05 N ATOM 478 NH2 ARG A 532 6.304 7.695 -5.706 1.00 73.13 N ATOM 0 H ARG A 532 8.168 -0.523 -6.935 1.00 51.42 H new ATOM 0 HA ARG A 532 9.488 1.948 -7.586 1.00 25.35 H new ATOM 0 HB2 ARG A 532 7.958 1.534 -5.028 1.00 14.15 H new ATOM 0 HB3 ARG A 532 9.389 2.546 -5.050 1.00 14.15 H new ATOM 0 HG2 ARG A 532 8.295 3.763 -7.033 1.00 64.10 H new ATOM 0 HG3 ARG A 532 6.825 2.917 -6.594 1.00 64.10 H new ATOM 0 HD2 ARG A 532 6.858 3.855 -4.393 1.00 45.11 H new ATOM 0 HD3 ARG A 532 8.447 4.546 -4.657 1.00 45.11 H new ATOM 0 HE ARG A 532 6.575 5.442 -6.670 1.00 20.33 H new ATOM 0 HH11 ARG A 532 7.293 5.854 -3.245 1.00 60.05 H new ATOM 0 HH12 ARG A 532 6.843 7.562 -3.243 1.00 60.05 H new ATOM 0 HH21 ARG A 532 6.110 7.640 -6.706 1.00 73.13 H new ATOM 0 HH22 ARG A 532 6.171 8.576 -5.209 1.00 73.13 H new ATOM 492 N GLY A 533 11.513 1.062 -6.601 1.00 65.45 N ATOM 493 CA GLY A 533 12.742 0.538 -6.091 1.00 54.41 C ATOM 494 C GLY A 533 13.372 -0.406 -7.057 1.00 64.42 C ATOM 495 O GLY A 533 13.623 -0.052 -8.197 1.00 72.45 O ATOM 0 H GLY A 533 11.624 1.835 -7.257 1.00 65.45 H new ATOM 0 HA2 GLY A 533 13.429 1.357 -5.880 1.00 54.41 H new ATOM 0 HA3 GLY A 533 12.557 0.026 -5.147 1.00 54.41 H new ATOM 499 N ASN A 534 13.668 -1.575 -6.596 1.00 4.32 N ATOM 500 CA ASN A 534 14.174 -2.622 -7.434 1.00 73.32 C ATOM 501 C ASN A 534 13.472 -3.884 -7.043 1.00 32.12 C ATOM 502 O ASN A 534 13.681 -4.400 -5.945 1.00 61.11 O ATOM 503 CB ASN A 534 15.682 -2.794 -7.286 1.00 51.32 C ATOM 504 CG ASN A 534 16.214 -3.862 -8.219 1.00 33.20 C ATOM 505 OD1 ASN A 534 16.298 -5.027 -7.857 1.00 42.02 O ATOM 506 ND2 ASN A 534 16.560 -3.480 -9.428 1.00 34.45 N ATOM 0 H ASN A 534 13.566 -1.838 -5.616 1.00 4.32 H new ATOM 0 HA ASN A 534 13.989 -2.372 -8.479 1.00 73.32 H new ATOM 0 HB2 ASN A 534 16.179 -1.847 -7.495 1.00 51.32 H new ATOM 0 HB3 ASN A 534 15.920 -3.059 -6.256 1.00 51.32 H new ATOM 0 HD21 ASN A 534 16.912 -4.164 -10.098 1.00 34.45 H new ATOM 0 HD22 ASN A 534 16.477 -2.499 -9.696 1.00 34.45 H new ATOM 513 N VAL A 535 12.624 -4.356 -7.886 1.00 43.45 N ATOM 514 CA VAL A 535 11.818 -5.486 -7.565 1.00 14.32 C ATOM 515 C VAL A 535 12.001 -6.587 -8.596 1.00 43.34 C ATOM 516 O VAL A 535 11.784 -6.382 -9.796 1.00 65.23 O ATOM 517 CB VAL A 535 10.318 -5.102 -7.508 1.00 63.04 C ATOM 518 CG1 VAL A 535 9.478 -6.268 -7.041 1.00 71.31 C ATOM 519 CG2 VAL A 535 10.076 -3.872 -6.634 1.00 44.24 C ATOM 0 H VAL A 535 12.467 -3.972 -8.818 1.00 43.45 H new ATOM 0 HA VAL A 535 12.136 -5.843 -6.586 1.00 14.32 H new ATOM 0 HB VAL A 535 10.013 -4.844 -8.522 1.00 63.04 H new ATOM 0 HG11 VAL A 535 8.430 -5.972 -7.010 1.00 71.31 H new ATOM 0 HG12 VAL A 535 9.599 -7.103 -7.731 1.00 71.31 H new ATOM 0 HG13 VAL A 535 9.799 -6.572 -6.045 1.00 71.31 H new ATOM 0 HG21 VAL A 535 9.012 -3.638 -6.622 1.00 44.24 H new ATOM 0 HG22 VAL A 535 10.414 -4.075 -5.618 1.00 44.24 H new ATOM 0 HG23 VAL A 535 10.629 -3.024 -7.038 1.00 44.24 H new ATOM 529 N ILE A 536 12.407 -7.727 -8.141 1.00 62.04 N ATOM 530 CA ILE A 536 12.505 -8.885 -8.991 1.00 44.51 C ATOM 531 C ILE A 536 11.175 -9.575 -8.952 1.00 44.21 C ATOM 532 O ILE A 536 10.715 -9.985 -7.877 1.00 42.12 O ATOM 533 CB ILE A 536 13.614 -9.884 -8.538 1.00 63.11 C ATOM 534 CG1 ILE A 536 15.000 -9.236 -8.592 1.00 1.24 C ATOM 535 CG2 ILE A 536 13.584 -11.176 -9.376 1.00 61.45 C ATOM 536 CD1 ILE A 536 15.443 -8.806 -9.971 1.00 11.44 C ATOM 0 H ILE A 536 12.681 -7.890 -7.172 1.00 62.04 H new ATOM 0 HA ILE A 536 12.776 -8.557 -9.995 1.00 44.51 H new ATOM 0 HB ILE A 536 13.406 -10.152 -7.502 1.00 63.11 H new ATOM 0 HG12 ILE A 536 15.005 -8.366 -7.936 1.00 1.24 H new ATOM 0 HG13 ILE A 536 15.731 -9.940 -8.193 1.00 1.24 H new ATOM 0 HG21 ILE A 536 14.370 -11.850 -9.034 1.00 61.45 H new ATOM 0 HG22 ILE A 536 12.615 -11.661 -9.262 1.00 61.45 H new ATOM 0 HG23 ILE A 536 13.747 -10.933 -10.426 1.00 61.45 H new ATOM 0 HD11 ILE A 536 16.435 -8.358 -9.911 1.00 11.44 H new ATOM 0 HD12 ILE A 536 15.476 -9.674 -10.630 1.00 11.44 H new ATOM 0 HD13 ILE A 536 14.738 -8.075 -10.368 1.00 11.44 H new ATOM 548 N VAL A 537 10.543 -9.653 -10.080 1.00 61.54 N ATOM 549 CA VAL A 537 9.258 -10.300 -10.196 1.00 62.21 C ATOM 550 C VAL A 537 9.452 -11.603 -10.938 1.00 63.23 C ATOM 551 O VAL A 537 9.644 -11.609 -12.152 1.00 34.41 O ATOM 552 CB VAL A 537 8.226 -9.426 -10.959 1.00 22.54 C ATOM 553 CG1 VAL A 537 6.852 -10.092 -10.983 1.00 74.52 C ATOM 554 CG2 VAL A 537 8.135 -8.049 -10.337 1.00 24.53 C ATOM 0 H VAL A 537 10.899 -9.270 -10.956 1.00 61.54 H new ATOM 0 HA VAL A 537 8.864 -10.466 -9.193 1.00 62.21 H new ATOM 0 HB VAL A 537 8.569 -9.322 -11.988 1.00 22.54 H new ATOM 0 HG11 VAL A 537 6.150 -9.458 -11.524 1.00 74.52 H new ATOM 0 HG12 VAL A 537 6.925 -11.059 -11.481 1.00 74.52 H new ATOM 0 HG13 VAL A 537 6.499 -10.235 -9.962 1.00 74.52 H new ATOM 0 HG21 VAL A 537 7.407 -7.450 -10.884 1.00 24.53 H new ATOM 0 HG22 VAL A 537 7.822 -8.140 -9.297 1.00 24.53 H new ATOM 0 HG23 VAL A 537 9.110 -7.565 -10.381 1.00 24.53 H new ATOM 564 N PRO A 538 9.492 -12.709 -10.227 1.00 63.23 N ATOM 565 CA PRO A 538 9.666 -13.984 -10.838 1.00 30.40 C ATOM 566 C PRO A 538 8.344 -14.574 -11.313 1.00 23.23 C ATOM 567 O PRO A 538 7.318 -14.466 -10.651 1.00 15.23 O ATOM 568 CB PRO A 538 10.280 -14.838 -9.731 1.00 42.22 C ATOM 569 CG PRO A 538 9.889 -14.182 -8.437 1.00 71.40 C ATOM 570 CD PRO A 538 9.372 -12.803 -8.761 1.00 0.50 C ATOM 0 HA PRO A 538 10.289 -13.929 -11.731 1.00 30.40 H new ATOM 0 HB2 PRO A 538 9.909 -15.862 -9.777 1.00 42.22 H new ATOM 0 HB3 PRO A 538 11.364 -14.887 -9.832 1.00 42.22 H new ATOM 0 HG2 PRO A 538 9.124 -14.767 -7.927 1.00 71.40 H new ATOM 0 HG3 PRO A 538 10.745 -14.122 -7.765 1.00 71.40 H new ATOM 0 HD2 PRO A 538 8.339 -12.678 -8.437 1.00 0.50 H new ATOM 0 HD3 PRO A 538 9.958 -12.030 -8.263 1.00 0.50 H new ATOM 578 N TYR A 539 8.373 -15.165 -12.452 1.00 75.15 N ATOM 579 CA TYR A 539 7.223 -15.832 -12.984 1.00 13.33 C ATOM 580 C TYR A 539 7.597 -17.270 -13.165 1.00 2.20 C ATOM 581 O TYR A 539 8.790 -17.576 -13.235 1.00 32.30 O ATOM 582 CB TYR A 539 6.778 -15.205 -14.328 1.00 70.21 C ATOM 583 CG TYR A 539 7.832 -15.202 -15.427 1.00 63.14 C ATOM 584 CD1 TYR A 539 8.139 -16.355 -16.131 1.00 44.42 C ATOM 585 CD2 TYR A 539 8.504 -14.046 -15.764 1.00 60.13 C ATOM 586 CE1 TYR A 539 9.077 -16.356 -17.120 1.00 14.02 C ATOM 587 CE2 TYR A 539 9.452 -14.041 -16.765 1.00 4.43 C ATOM 588 CZ TYR A 539 9.737 -15.196 -17.435 1.00 0.34 C ATOM 589 OH TYR A 539 10.683 -15.186 -18.429 1.00 51.41 O ATOM 0 H TYR A 539 9.197 -15.204 -13.052 1.00 75.15 H new ATOM 0 HA TYR A 539 6.378 -15.733 -12.303 1.00 13.33 H new ATOM 0 HB2 TYR A 539 5.902 -15.744 -14.689 1.00 70.21 H new ATOM 0 HB3 TYR A 539 6.466 -14.177 -14.144 1.00 70.21 H new ATOM 0 HD1 TYR A 539 7.624 -17.273 -15.891 1.00 44.42 H new ATOM 0 HD2 TYR A 539 8.284 -13.130 -15.235 1.00 60.13 H new ATOM 0 HE1 TYR A 539 9.300 -17.268 -17.654 1.00 14.02 H new ATOM 0 HE2 TYR A 539 9.968 -13.126 -17.018 1.00 4.43 H new ATOM 0 HH TYR A 539 11.051 -14.282 -18.522 1.00 51.41 H new ATOM 599 N LYS A 540 6.637 -18.141 -13.243 1.00 34.11 N ATOM 600 CA LYS A 540 6.942 -19.530 -13.448 1.00 44.34 C ATOM 601 C LYS A 540 5.884 -20.195 -14.278 1.00 3.43 C ATOM 602 O LYS A 540 4.681 -19.901 -14.148 1.00 62.32 O ATOM 603 CB LYS A 540 7.190 -20.297 -12.135 1.00 74.15 C ATOM 604 CG LYS A 540 5.967 -20.476 -11.257 1.00 31.01 C ATOM 605 CD LYS A 540 6.309 -21.232 -9.991 1.00 50.05 C ATOM 606 CE LYS A 540 5.068 -21.490 -9.162 1.00 35.41 C ATOM 607 NZ LYS A 540 5.393 -22.064 -7.841 1.00 2.22 N ATOM 0 H LYS A 540 5.644 -17.921 -13.169 1.00 34.11 H new ATOM 0 HA LYS A 540 7.883 -19.562 -13.997 1.00 44.34 H new ATOM 0 HB2 LYS A 540 7.592 -21.281 -12.377 1.00 74.15 H new ATOM 0 HB3 LYS A 540 7.955 -19.771 -11.564 1.00 74.15 H new ATOM 0 HG2 LYS A 540 5.554 -19.500 -11.001 1.00 31.01 H new ATOM 0 HG3 LYS A 540 5.196 -21.014 -11.808 1.00 31.01 H new ATOM 0 HD2 LYS A 540 6.784 -22.179 -10.246 1.00 50.05 H new ATOM 0 HD3 LYS A 540 7.030 -20.661 -9.406 1.00 50.05 H new ATOM 0 HE2 LYS A 540 4.522 -20.556 -9.027 1.00 35.41 H new ATOM 0 HE3 LYS A 540 4.408 -22.170 -9.700 1.00 35.41 H new ATOM 0 HZ1 LYS A 540 4.538 -22.488 -7.427 1.00 2.22 H new ATOM 0 HZ2 LYS A 540 6.124 -22.796 -7.951 1.00 2.22 H new ATOM 0 HZ3 LYS A 540 5.746 -21.313 -7.214 1.00 2.22 H new ATOM 621 N THR A 541 6.331 -21.044 -15.139 1.00 42.14 N ATOM 622 CA THR A 541 5.502 -21.759 -16.026 1.00 22.00 C ATOM 623 C THR A 541 4.974 -23.033 -15.361 1.00 43.05 C ATOM 624 O THR A 541 5.721 -23.770 -14.705 1.00 63.03 O ATOM 625 CB THR A 541 6.307 -22.070 -17.301 1.00 61.52 C ATOM 626 OG1 THR A 541 7.641 -22.468 -16.926 1.00 42.50 O ATOM 627 CG2 THR A 541 6.403 -20.847 -18.191 1.00 25.11 C ATOM 0 H THR A 541 7.322 -21.262 -15.242 1.00 42.14 H new ATOM 0 HA THR A 541 4.631 -21.161 -16.294 1.00 22.00 H new ATOM 0 HB THR A 541 5.801 -22.867 -17.846 1.00 61.52 H new ATOM 0 HG1 THR A 541 7.603 -23.014 -16.113 1.00 42.50 H new ATOM 0 HG21 THR A 541 6.976 -21.092 -19.085 1.00 25.11 H new ATOM 0 HG22 THR A 541 5.402 -20.527 -18.478 1.00 25.11 H new ATOM 0 HG23 THR A 541 6.900 -20.042 -17.650 1.00 25.11 H new ATOM 635 N ILE A 542 3.700 -23.255 -15.489 1.00 72.01 N ATOM 636 CA ILE A 542 3.052 -24.410 -14.926 1.00 43.31 C ATOM 637 C ILE A 542 2.656 -25.320 -16.064 1.00 42.14 C ATOM 638 O ILE A 542 1.835 -24.934 -16.913 1.00 11.34 O ATOM 639 CB ILE A 542 1.759 -24.025 -14.155 1.00 14.22 C ATOM 640 CG1 ILE A 542 2.023 -22.919 -13.117 1.00 54.03 C ATOM 641 CG2 ILE A 542 1.142 -25.257 -13.488 1.00 53.02 C ATOM 642 CD1 ILE A 542 3.016 -23.293 -12.031 1.00 43.11 C ATOM 0 H ILE A 542 3.069 -22.632 -15.994 1.00 72.01 H new ATOM 0 HA ILE A 542 3.742 -24.889 -14.231 1.00 43.31 H new ATOM 0 HB ILE A 542 1.049 -23.630 -14.881 1.00 14.22 H new ATOM 0 HG12 ILE A 542 2.389 -22.033 -13.635 1.00 54.03 H new ATOM 0 HG13 ILE A 542 1.078 -22.646 -12.648 1.00 54.03 H new ATOM 0 HG21 ILE A 542 0.238 -24.967 -12.953 1.00 53.02 H new ATOM 0 HG22 ILE A 542 0.892 -25.996 -14.249 1.00 53.02 H new ATOM 0 HG23 ILE A 542 1.856 -25.687 -12.786 1.00 53.02 H new ATOM 0 HD11 ILE A 542 3.139 -22.454 -11.346 1.00 43.11 H new ATOM 0 HD12 ILE A 542 2.646 -24.159 -11.482 1.00 43.11 H new ATOM 0 HD13 ILE A 542 3.977 -23.535 -12.485 1.00 43.11 H new ATOM 654 N GLU A 543 3.223 -26.498 -16.090 1.00 71.30 N ATOM 655 CA GLU A 543 2.938 -27.475 -17.124 1.00 33.24 C ATOM 656 C GLU A 543 1.508 -27.989 -17.012 1.00 25.31 C ATOM 657 O GLU A 543 0.824 -27.782 -15.997 1.00 53.21 O ATOM 658 CB GLU A 543 3.897 -28.643 -17.020 1.00 54.31 C ATOM 659 CG GLU A 543 5.346 -28.280 -17.209 1.00 21.25 C ATOM 660 CD GLU A 543 6.247 -29.355 -16.702 1.00 40.12 C ATOM 661 OE1 GLU A 543 6.582 -30.286 -17.448 1.00 53.14 O ATOM 662 OE2 GLU A 543 6.617 -29.300 -15.509 1.00 70.35 O ATOM 0 H GLU A 543 3.899 -26.814 -15.395 1.00 71.30 H new ATOM 0 HA GLU A 543 3.061 -26.984 -18.089 1.00 33.24 H new ATOM 0 HB2 GLU A 543 3.777 -29.109 -16.042 1.00 54.31 H new ATOM 0 HB3 GLU A 543 3.622 -29.390 -17.765 1.00 54.31 H new ATOM 0 HG2 GLU A 543 5.544 -28.106 -18.267 1.00 21.25 H new ATOM 0 HG3 GLU A 543 5.560 -27.347 -16.687 1.00 21.25 H new ATOM 669 N GLY A 544 1.088 -28.667 -18.023 1.00 31.00 N ATOM 670 CA GLY A 544 -0.235 -29.200 -18.091 1.00 31.22 C ATOM 671 C GLY A 544 -0.565 -29.405 -19.517 1.00 44.31 C ATOM 672 O GLY A 544 -0.556 -28.446 -20.282 1.00 75.54 O ATOM 0 H GLY A 544 1.661 -28.872 -18.841 1.00 31.00 H new ATOM 0 HA2 GLY A 544 -0.296 -30.142 -17.545 1.00 31.22 H new ATOM 0 HA3 GLY A 544 -0.947 -28.516 -17.628 1.00 31.22 H new ATOM 676 N THR A 545 -0.778 -30.650 -19.899 1.00 3.33 N ATOM 677 CA THR A 545 -0.969 -31.115 -21.291 1.00 5.02 C ATOM 678 C THR A 545 0.304 -30.960 -22.142 1.00 24.13 C ATOM 679 O THR A 545 0.701 -31.871 -22.861 1.00 0.13 O ATOM 680 CB THR A 545 -2.276 -30.604 -22.013 1.00 12.03 C ATOM 681 OG1 THR A 545 -2.533 -29.195 -21.780 1.00 30.00 O ATOM 682 CG2 THR A 545 -3.478 -31.424 -21.590 1.00 43.22 C ATOM 0 H THR A 545 -0.828 -31.415 -19.226 1.00 3.33 H new ATOM 0 HA THR A 545 -1.154 -32.184 -21.190 1.00 5.02 H new ATOM 0 HB THR A 545 -2.107 -30.730 -23.082 1.00 12.03 H new ATOM 0 HG1 THR A 545 -1.698 -28.747 -21.532 1.00 30.00 H new ATOM 0 HG21 THR A 545 -4.368 -31.055 -22.100 1.00 43.22 H new ATOM 0 HG22 THR A 545 -3.316 -32.469 -21.854 1.00 43.22 H new ATOM 0 HG23 THR A 545 -3.616 -31.339 -20.512 1.00 43.22 H new ATOM 690 N ALA A 546 0.933 -29.824 -22.008 1.00 34.53 N ATOM 691 CA ALA A 546 2.186 -29.519 -22.617 1.00 54.42 C ATOM 692 C ALA A 546 3.271 -29.922 -21.627 1.00 63.51 C ATOM 693 O ALA A 546 3.010 -29.954 -20.403 1.00 51.40 O ATOM 694 CB ALA A 546 2.242 -28.036 -22.880 1.00 72.44 C ATOM 0 H ALA A 546 0.565 -29.057 -21.446 1.00 34.53 H new ATOM 0 HA ALA A 546 2.321 -30.048 -23.561 1.00 54.42 H new ATOM 0 HB1 ALA A 546 3.195 -27.785 -23.346 1.00 72.44 H new ATOM 0 HB2 ALA A 546 1.427 -27.754 -23.546 1.00 72.44 H new ATOM 0 HB3 ALA A 546 2.145 -27.496 -21.938 1.00 72.44 H new ATOM 700 N ARG A 547 4.444 -30.229 -22.111 1.00 51.41 N ATOM 701 CA ARG A 547 5.502 -30.726 -21.273 1.00 21.24 C ATOM 702 C ARG A 547 6.614 -29.704 -21.160 1.00 10.21 C ATOM 703 O ARG A 547 6.831 -28.879 -22.071 1.00 4.10 O ATOM 704 CB ARG A 547 6.112 -32.033 -21.825 1.00 52.25 C ATOM 705 CG ARG A 547 5.137 -33.159 -22.175 1.00 15.01 C ATOM 706 CD ARG A 547 4.383 -32.860 -23.483 1.00 63.44 C ATOM 707 NE ARG A 547 3.478 -33.909 -23.934 1.00 25.42 N ATOM 708 CZ ARG A 547 2.780 -33.849 -25.101 1.00 71.13 C ATOM 709 NH1 ARG A 547 2.772 -32.723 -25.848 1.00 54.15 N ATOM 710 NH2 ARG A 547 2.064 -34.891 -25.493 1.00 65.41 N ATOM 0 H ARG A 547 4.693 -30.142 -23.096 1.00 51.41 H new ATOM 0 HA ARG A 547 5.058 -30.922 -20.297 1.00 21.24 H new ATOM 0 HB2 ARG A 547 6.683 -31.789 -22.720 1.00 52.25 H new ATOM 0 HB3 ARG A 547 6.820 -32.414 -21.089 1.00 52.25 H new ATOM 0 HG2 ARG A 547 5.682 -34.098 -22.274 1.00 15.01 H new ATOM 0 HG3 ARG A 547 4.422 -33.290 -21.362 1.00 15.01 H new ATOM 0 HD2 ARG A 547 3.811 -31.941 -23.352 1.00 63.44 H new ATOM 0 HD3 ARG A 547 5.114 -32.671 -24.269 1.00 63.44 H new ATOM 0 HE ARG A 547 3.361 -34.732 -23.344 1.00 25.42 H new ATOM 0 HH11 ARG A 547 3.294 -31.903 -25.540 1.00 54.15 H new ATOM 0 HH12 ARG A 547 2.244 -32.693 -26.720 1.00 54.15 H new ATOM 0 HH21 ARG A 547 2.037 -35.735 -24.921 1.00 65.41 H new ATOM 0 HH22 ARG A 547 1.540 -34.850 -26.367 1.00 65.41 H new ATOM 724 N GLY A 548 7.308 -29.765 -20.065 1.00 40.41 N ATOM 725 CA GLY A 548 8.436 -28.908 -19.836 1.00 4.52 C ATOM 726 C GLY A 548 9.706 -29.584 -20.283 1.00 3.01 C ATOM 727 O GLY A 548 9.694 -30.781 -20.606 1.00 62.31 O ATOM 0 H GLY A 548 7.109 -30.411 -19.301 1.00 40.41 H new ATOM 0 HA2 GLY A 548 8.305 -27.971 -20.377 1.00 4.52 H new ATOM 0 HA3 GLY A 548 8.502 -28.658 -18.777 1.00 4.52 H new ATOM 731 N GLY A 549 10.777 -28.852 -20.311 1.00 72.43 N ATOM 732 CA GLY A 549 12.029 -29.380 -20.760 1.00 34.32 C ATOM 733 C GLY A 549 12.367 -28.834 -22.113 1.00 61.32 C ATOM 734 O GLY A 549 13.130 -29.433 -22.864 1.00 62.22 O ATOM 0 H GLY A 549 10.808 -27.874 -20.024 1.00 72.43 H new ATOM 0 HA2 GLY A 549 12.815 -29.124 -20.050 1.00 34.32 H new ATOM 0 HA3 GLY A 549 11.979 -30.468 -20.801 1.00 34.32 H new ATOM 738 N GLY A 550 11.797 -27.673 -22.425 1.00 21.45 N ATOM 739 CA GLY A 550 11.972 -27.069 -23.732 1.00 51.12 C ATOM 740 C GLY A 550 11.377 -27.941 -24.815 1.00 22.10 C ATOM 741 O GLY A 550 11.918 -28.041 -25.919 1.00 62.20 O ATOM 0 H GLY A 550 11.211 -27.136 -21.786 1.00 21.45 H new ATOM 0 HA2 GLY A 550 11.499 -26.087 -23.749 1.00 51.12 H new ATOM 0 HA3 GLY A 550 13.033 -26.915 -23.926 1.00 51.12 H new ATOM 745 N GLU A 551 10.269 -28.571 -24.483 1.00 30.45 N ATOM 746 CA GLU A 551 9.607 -29.520 -25.353 1.00 23.35 C ATOM 747 C GLU A 551 8.538 -28.850 -26.196 1.00 63.01 C ATOM 748 O GLU A 551 8.735 -28.614 -27.384 1.00 11.04 O ATOM 749 CB GLU A 551 8.994 -30.633 -24.511 1.00 5.33 C ATOM 750 CG GLU A 551 10.002 -31.490 -23.781 1.00 13.11 C ATOM 751 CD GLU A 551 10.753 -32.419 -24.695 1.00 24.51 C ATOM 752 OE1 GLU A 551 11.542 -31.965 -25.545 1.00 31.25 O ATOM 753 OE2 GLU A 551 10.539 -33.645 -24.596 1.00 63.24 O ATOM 0 H GLU A 551 9.797 -28.436 -23.589 1.00 30.45 H new ATOM 0 HA GLU A 551 10.348 -29.938 -26.035 1.00 23.35 H new ATOM 0 HB2 GLU A 551 8.316 -30.189 -23.782 1.00 5.33 H new ATOM 0 HB3 GLU A 551 8.392 -31.272 -25.157 1.00 5.33 H new ATOM 0 HG2 GLU A 551 10.712 -30.845 -23.263 1.00 13.11 H new ATOM 0 HG3 GLU A 551 9.489 -32.076 -23.018 1.00 13.11 H new ATOM 760 N ASP A 552 7.423 -28.564 -25.575 1.00 62.43 N ATOM 761 CA ASP A 552 6.286 -27.915 -26.232 1.00 52.21 C ATOM 762 C ASP A 552 6.502 -26.434 -26.154 1.00 53.45 C ATOM 763 O ASP A 552 6.258 -25.678 -27.095 1.00 32.50 O ATOM 764 CB ASP A 552 4.986 -28.237 -25.471 1.00 13.24 C ATOM 765 CG ASP A 552 4.736 -29.709 -25.261 1.00 31.54 C ATOM 766 OD1 ASP A 552 5.582 -30.378 -24.630 1.00 33.45 O ATOM 767 OD2 ASP A 552 3.677 -30.210 -25.631 1.00 31.12 O ATOM 0 H ASP A 552 7.264 -28.772 -24.589 1.00 62.43 H new ATOM 0 HA ASP A 552 6.207 -28.263 -27.262 1.00 52.21 H new ATOM 0 HB2 ASP A 552 5.016 -27.744 -24.499 1.00 13.24 H new ATOM 0 HB3 ASP A 552 4.144 -27.812 -26.018 1.00 13.24 H new ATOM 772 N PHE A 553 6.978 -26.030 -25.019 1.00 41.22 N ATOM 773 CA PHE A 553 7.252 -24.669 -24.744 1.00 23.23 C ATOM 774 C PHE A 553 8.531 -24.616 -23.968 1.00 30.20 C ATOM 775 O PHE A 553 8.971 -25.639 -23.413 1.00 60.31 O ATOM 776 CB PHE A 553 6.100 -24.019 -23.942 1.00 30.02 C ATOM 777 CG PHE A 553 5.865 -24.605 -22.549 1.00 75.23 C ATOM 778 CD1 PHE A 553 5.101 -25.747 -22.383 1.00 3.45 C ATOM 779 CD2 PHE A 553 6.403 -24.001 -21.420 1.00 75.20 C ATOM 780 CE1 PHE A 553 4.879 -26.282 -21.126 1.00 12.45 C ATOM 781 CE2 PHE A 553 6.186 -24.533 -20.160 1.00 44.54 C ATOM 782 CZ PHE A 553 5.420 -25.678 -20.013 1.00 54.43 C ATOM 0 H PHE A 553 7.189 -26.658 -24.244 1.00 41.22 H new ATOM 0 HA PHE A 553 7.345 -24.110 -25.675 1.00 23.23 H new ATOM 0 HB2 PHE A 553 6.305 -22.953 -23.840 1.00 30.02 H new ATOM 0 HB3 PHE A 553 5.179 -24.113 -24.518 1.00 30.02 H new ATOM 0 HD1 PHE A 553 4.671 -26.229 -23.249 1.00 3.45 H new ATOM 0 HD2 PHE A 553 6.998 -23.106 -21.526 1.00 75.20 H new ATOM 0 HE1 PHE A 553 4.281 -27.175 -21.018 1.00 12.45 H new ATOM 0 HE2 PHE A 553 6.614 -24.055 -19.291 1.00 44.54 H new ATOM 0 HZ PHE A 553 5.248 -26.094 -19.031 1.00 54.43 H new ATOM 792 N GLU A 554 9.141 -23.487 -23.955 1.00 10.14 N ATOM 793 CA GLU A 554 10.330 -23.306 -23.206 1.00 0.50 C ATOM 794 C GLU A 554 9.918 -22.870 -21.816 1.00 75.11 C ATOM 795 O GLU A 554 9.443 -21.746 -21.611 1.00 53.53 O ATOM 796 CB GLU A 554 11.185 -22.266 -23.925 1.00 52.24 C ATOM 797 CG GLU A 554 12.679 -22.221 -23.603 1.00 44.25 C ATOM 798 CD GLU A 554 13.037 -21.752 -22.228 1.00 50.41 C ATOM 799 OE1 GLU A 554 13.075 -20.528 -21.986 1.00 54.13 O ATOM 800 OE2 GLU A 554 13.368 -22.592 -21.394 1.00 33.10 O ATOM 0 H GLU A 554 8.829 -22.660 -24.465 1.00 10.14 H new ATOM 0 HA GLU A 554 10.925 -24.215 -23.118 1.00 0.50 H new ATOM 0 HB2 GLU A 554 11.079 -22.430 -24.997 1.00 52.24 H new ATOM 0 HB3 GLU A 554 10.767 -21.283 -23.710 1.00 52.24 H new ATOM 0 HG2 GLU A 554 13.092 -23.220 -23.744 1.00 44.25 H new ATOM 0 HG3 GLU A 554 13.168 -21.569 -24.327 1.00 44.25 H new ATOM 807 N ASP A 555 10.022 -23.797 -20.900 1.00 52.42 N ATOM 808 CA ASP A 555 9.719 -23.584 -19.504 1.00 3.11 C ATOM 809 C ASP A 555 10.742 -22.655 -18.917 1.00 53.52 C ATOM 810 O ASP A 555 11.866 -23.037 -18.581 1.00 13.32 O ATOM 811 CB ASP A 555 9.620 -24.925 -18.740 1.00 72.35 C ATOM 812 CG ASP A 555 10.794 -25.851 -18.983 1.00 5.31 C ATOM 813 OD1 ASP A 555 11.043 -26.210 -20.165 1.00 41.24 O ATOM 814 OD2 ASP A 555 11.492 -26.243 -18.027 1.00 2.01 O ATOM 0 H ASP A 555 10.328 -24.748 -21.107 1.00 52.42 H new ATOM 0 HA ASP A 555 8.740 -23.115 -19.407 1.00 3.11 H new ATOM 0 HB2 ASP A 555 9.545 -24.720 -17.672 1.00 72.35 H new ATOM 0 HB3 ASP A 555 8.701 -25.433 -19.033 1.00 72.35 H new ATOM 819 N THR A 556 10.363 -21.436 -18.830 1.00 64.21 N ATOM 820 CA THR A 556 11.247 -20.412 -18.476 1.00 33.03 C ATOM 821 C THR A 556 10.663 -19.681 -17.262 1.00 5.44 C ATOM 822 O THR A 556 9.436 -19.519 -17.159 1.00 71.31 O ATOM 823 CB THR A 556 11.447 -19.513 -19.736 1.00 13.43 C ATOM 824 OG1 THR A 556 12.770 -18.997 -19.805 1.00 0.34 O ATOM 825 CG2 THR A 556 10.430 -18.382 -19.851 1.00 3.01 C ATOM 0 H THR A 556 9.408 -21.124 -19.008 1.00 64.21 H new ATOM 0 HA THR A 556 12.233 -20.769 -18.177 1.00 33.03 H new ATOM 0 HB THR A 556 11.278 -20.172 -20.588 1.00 13.43 H new ATOM 0 HG1 THR A 556 13.234 -19.387 -20.575 1.00 0.34 H new ATOM 0 HG21 THR A 556 10.633 -17.801 -20.751 1.00 3.01 H new ATOM 0 HG22 THR A 556 9.425 -18.801 -19.908 1.00 3.01 H new ATOM 0 HG23 THR A 556 10.505 -17.735 -18.977 1.00 3.01 H new ATOM 833 N CYS A 557 11.503 -19.339 -16.306 1.00 74.24 N ATOM 834 CA CYS A 557 11.047 -18.754 -15.062 1.00 2.35 C ATOM 835 C CYS A 557 12.110 -17.794 -14.498 1.00 4.44 C ATOM 836 O CYS A 557 13.263 -18.189 -14.316 1.00 54.14 O ATOM 837 CB CYS A 557 10.768 -19.882 -14.043 1.00 11.31 C ATOM 838 SG CYS A 557 9.636 -21.181 -14.624 1.00 42.53 S ATOM 0 H CYS A 557 12.514 -19.458 -16.369 1.00 74.24 H new ATOM 0 HA CYS A 557 10.133 -18.189 -15.247 1.00 2.35 H new ATOM 0 HB2 CYS A 557 11.716 -20.344 -13.767 1.00 11.31 H new ATOM 0 HB3 CYS A 557 10.354 -19.439 -13.137 1.00 11.31 H new ATOM 0 HG CYS A 557 9.138 -20.839 -15.775 1.00 42.53 H new ATOM 844 N GLY A 558 11.721 -16.555 -14.241 1.00 12.31 N ATOM 845 CA GLY A 558 12.637 -15.571 -13.677 1.00 20.15 C ATOM 846 C GLY A 558 12.773 -14.370 -14.581 1.00 10.32 C ATOM 847 O GLY A 558 11.778 -13.819 -14.997 1.00 75.23 O ATOM 0 H GLY A 558 10.778 -16.205 -14.413 1.00 12.31 H new ATOM 0 HA2 GLY A 558 12.277 -15.254 -12.698 1.00 20.15 H new ATOM 0 HA3 GLY A 558 13.615 -16.027 -13.524 1.00 20.15 H new ATOM 851 N GLU A 559 14.006 -13.947 -14.814 1.00 74.23 N ATOM 852 CA GLU A 559 14.399 -12.897 -15.797 1.00 24.10 C ATOM 853 C GLU A 559 13.818 -11.466 -15.618 1.00 2.53 C ATOM 854 O GLU A 559 14.280 -10.531 -16.299 1.00 42.04 O ATOM 855 CB GLU A 559 14.195 -13.360 -17.255 1.00 50.42 C ATOM 856 CG GLU A 559 15.184 -14.412 -17.759 1.00 11.51 C ATOM 857 CD GLU A 559 15.076 -15.751 -17.073 1.00 42.22 C ATOM 858 OE1 GLU A 559 14.243 -16.567 -17.485 1.00 12.03 O ATOM 859 OE2 GLU A 559 15.878 -16.035 -16.151 1.00 53.01 O ATOM 0 H GLU A 559 14.808 -14.329 -14.313 1.00 74.23 H new ATOM 0 HA GLU A 559 15.457 -12.782 -15.563 1.00 24.10 H new ATOM 0 HB2 GLU A 559 13.186 -13.760 -17.352 1.00 50.42 H new ATOM 0 HB3 GLU A 559 14.256 -12.488 -17.906 1.00 50.42 H new ATOM 0 HG2 GLU A 559 15.031 -14.553 -18.829 1.00 11.51 H new ATOM 0 HG3 GLU A 559 16.197 -14.032 -17.629 1.00 11.51 H new ATOM 866 N LEU A 560 12.863 -11.249 -14.756 1.00 31.24 N ATOM 867 CA LEU A 560 12.282 -9.921 -14.680 1.00 70.22 C ATOM 868 C LEU A 560 12.834 -9.106 -13.550 1.00 4.25 C ATOM 869 O LEU A 560 12.996 -9.593 -12.426 1.00 11.25 O ATOM 870 CB LEU A 560 10.762 -9.939 -14.595 1.00 53.12 C ATOM 871 CG LEU A 560 10.011 -10.667 -15.703 1.00 51.05 C ATOM 872 CD1 LEU A 560 8.524 -10.430 -15.570 1.00 64.31 C ATOM 873 CD2 LEU A 560 10.509 -10.260 -17.081 1.00 33.13 C ATOM 0 H LEU A 560 12.476 -11.941 -14.114 1.00 31.24 H new ATOM 0 HA LEU A 560 12.567 -9.446 -15.619 1.00 70.22 H new ATOM 0 HB2 LEU A 560 10.482 -10.391 -13.644 1.00 53.12 H new ATOM 0 HB3 LEU A 560 10.413 -8.907 -14.572 1.00 53.12 H new ATOM 0 HG LEU A 560 10.204 -11.734 -15.595 1.00 51.05 H new ATOM 0 HD11 LEU A 560 7.999 -10.956 -16.368 1.00 64.31 H new ATOM 0 HD12 LEU A 560 8.181 -10.801 -14.604 1.00 64.31 H new ATOM 0 HD13 LEU A 560 8.318 -9.362 -15.642 1.00 64.31 H new ATOM 0 HD21 LEU A 560 9.949 -10.800 -17.844 1.00 33.13 H new ATOM 0 HD22 LEU A 560 10.367 -9.188 -17.217 1.00 33.13 H new ATOM 0 HD23 LEU A 560 11.569 -10.500 -17.170 1.00 33.13 H new ATOM 885 N GLU A 561 13.138 -7.880 -13.856 1.00 23.25 N ATOM 886 CA GLU A 561 13.589 -6.924 -12.898 1.00 12.35 C ATOM 887 C GLU A 561 12.887 -5.611 -13.178 1.00 24.52 C ATOM 888 O GLU A 561 13.032 -5.038 -14.253 1.00 70.45 O ATOM 889 CB GLU A 561 15.108 -6.739 -12.980 1.00 75.21 C ATOM 890 CG GLU A 561 15.655 -5.696 -12.013 1.00 43.15 C ATOM 891 CD GLU A 561 17.136 -5.476 -12.155 1.00 10.41 C ATOM 892 OE1 GLU A 561 17.602 -5.225 -13.275 1.00 51.05 O ATOM 893 OE2 GLU A 561 17.863 -5.526 -11.139 1.00 1.30 O ATOM 0 H GLU A 561 13.076 -7.511 -14.805 1.00 23.25 H new ATOM 0 HA GLU A 561 13.355 -7.275 -11.893 1.00 12.35 H new ATOM 0 HB2 GLU A 561 15.592 -7.695 -12.780 1.00 75.21 H new ATOM 0 HB3 GLU A 561 15.375 -6.453 -13.997 1.00 75.21 H new ATOM 0 HG2 GLU A 561 15.137 -4.751 -12.176 1.00 43.15 H new ATOM 0 HG3 GLU A 561 15.437 -6.007 -10.991 1.00 43.15 H new ATOM 900 N PHE A 562 12.092 -5.186 -12.256 1.00 45.31 N ATOM 901 CA PHE A 562 11.417 -3.927 -12.351 1.00 55.14 C ATOM 902 C PHE A 562 12.089 -2.962 -11.432 1.00 32.13 C ATOM 903 O PHE A 562 12.629 -3.361 -10.405 1.00 22.42 O ATOM 904 CB PHE A 562 9.946 -4.038 -11.929 1.00 40.04 C ATOM 905 CG PHE A 562 9.017 -4.670 -12.927 1.00 42.35 C ATOM 906 CD1 PHE A 562 8.966 -6.042 -13.094 1.00 60.41 C ATOM 907 CD2 PHE A 562 8.168 -3.875 -13.680 1.00 25.44 C ATOM 908 CE1 PHE A 562 8.087 -6.606 -13.995 1.00 63.05 C ATOM 909 CE2 PHE A 562 7.289 -4.432 -14.574 1.00 31.12 C ATOM 910 CZ PHE A 562 7.246 -5.794 -14.733 1.00 51.14 C ATOM 0 H PHE A 562 11.887 -5.706 -11.403 1.00 45.31 H new ATOM 0 HA PHE A 562 11.457 -3.596 -13.389 1.00 55.14 H new ATOM 0 HB2 PHE A 562 9.897 -4.612 -11.004 1.00 40.04 H new ATOM 0 HB3 PHE A 562 9.578 -3.037 -11.703 1.00 40.04 H new ATOM 0 HD1 PHE A 562 9.620 -6.677 -12.514 1.00 60.41 H new ATOM 0 HD2 PHE A 562 8.199 -2.802 -13.562 1.00 25.44 H new ATOM 0 HE1 PHE A 562 8.056 -7.678 -14.123 1.00 63.05 H new ATOM 0 HE2 PHE A 562 6.632 -3.799 -15.152 1.00 31.12 H new ATOM 0 HZ PHE A 562 6.554 -6.233 -15.436 1.00 51.14 H new ATOM 920 N GLN A 563 12.133 -1.733 -11.811 1.00 0.34 N ATOM 921 CA GLN A 563 12.576 -0.731 -10.913 1.00 44.44 C ATOM 922 C GLN A 563 11.345 -0.003 -10.433 1.00 10.31 C ATOM 923 O GLN A 563 10.648 -0.462 -9.527 1.00 72.51 O ATOM 924 CB GLN A 563 13.599 0.263 -11.520 1.00 74.15 C ATOM 925 CG GLN A 563 15.011 -0.264 -11.797 1.00 12.12 C ATOM 926 CD GLN A 563 15.109 -1.231 -12.953 1.00 22.03 C ATOM 927 OE1 GLN A 563 15.294 -0.825 -14.096 1.00 64.22 O ATOM 928 NE2 GLN A 563 15.040 -2.495 -12.674 1.00 42.13 N ATOM 0 H GLN A 563 11.867 -1.399 -12.738 1.00 0.34 H new ATOM 0 HA GLN A 563 13.117 -1.211 -10.097 1.00 44.44 H new ATOM 0 HB2 GLN A 563 13.189 0.638 -12.458 1.00 74.15 H new ATOM 0 HB3 GLN A 563 13.683 1.115 -10.845 1.00 74.15 H new ATOM 0 HG2 GLN A 563 15.668 0.583 -11.993 1.00 12.12 H new ATOM 0 HG3 GLN A 563 15.384 -0.755 -10.898 1.00 12.12 H new ATOM 0 HE21 GLN A 563 14.885 -2.797 -11.712 1.00 42.13 H new ATOM 0 HE22 GLN A 563 15.141 -3.187 -13.416 1.00 42.13 H new ATOM 937 N ASN A 564 11.034 1.076 -11.086 1.00 33.22 N ATOM 938 CA ASN A 564 9.855 1.811 -10.799 1.00 53.00 C ATOM 939 C ASN A 564 8.788 1.601 -11.854 1.00 23.43 C ATOM 940 O ASN A 564 9.015 0.933 -12.874 1.00 71.33 O ATOM 941 CB ASN A 564 10.141 3.297 -10.603 1.00 22.54 C ATOM 942 CG ASN A 564 10.754 3.626 -9.258 1.00 74.35 C ATOM 943 OD1 ASN A 564 11.515 2.855 -8.691 1.00 1.25 O ATOM 944 ND2 ASN A 564 10.391 4.746 -8.716 1.00 3.40 N ATOM 0 H ASN A 564 11.601 1.468 -11.838 1.00 33.22 H new ATOM 0 HA ASN A 564 9.470 1.423 -9.856 1.00 53.00 H new ATOM 0 HB2 ASN A 564 10.813 3.636 -11.391 1.00 22.54 H new ATOM 0 HB3 ASN A 564 9.211 3.855 -10.715 1.00 22.54 H new ATOM 0 HD21 ASN A 564 10.742 5.003 -7.793 1.00 3.40 H new ATOM 0 HD22 ASN A 564 9.755 5.370 -9.212 1.00 3.40 H new ATOM 951 N ASP A 565 7.631 2.200 -11.597 1.00 73.42 N ATOM 952 CA ASP A 565 6.422 2.158 -12.463 1.00 73.01 C ATOM 953 C ASP A 565 6.714 2.598 -13.889 1.00 52.01 C ATOM 954 O ASP A 565 6.030 2.181 -14.833 1.00 22.02 O ATOM 955 CB ASP A 565 5.323 3.057 -11.859 1.00 2.24 C ATOM 956 CG ASP A 565 4.089 3.215 -12.743 1.00 23.44 C ATOM 957 OD1 ASP A 565 4.071 4.116 -13.618 1.00 12.15 O ATOM 958 OD2 ASP A 565 3.098 2.487 -12.540 1.00 70.23 O ATOM 0 H ASP A 565 7.487 2.753 -10.752 1.00 73.42 H new ATOM 0 HA ASP A 565 6.086 1.122 -12.504 1.00 73.01 H new ATOM 0 HB2 ASP A 565 5.017 2.643 -10.898 1.00 2.24 H new ATOM 0 HB3 ASP A 565 5.744 4.043 -11.662 1.00 2.24 H new ATOM 963 N GLU A 566 7.740 3.406 -14.039 1.00 34.22 N ATOM 964 CA GLU A 566 8.164 3.944 -15.308 1.00 45.31 C ATOM 965 C GLU A 566 8.530 2.861 -16.330 1.00 12.43 C ATOM 966 O GLU A 566 8.527 3.123 -17.534 1.00 20.32 O ATOM 967 CB GLU A 566 9.323 4.919 -15.114 1.00 35.04 C ATOM 968 CG GLU A 566 10.450 4.374 -14.264 1.00 72.53 C ATOM 969 CD GLU A 566 11.652 5.268 -14.242 1.00 74.20 C ATOM 970 OE1 GLU A 566 11.695 6.236 -13.446 1.00 74.22 O ATOM 971 OE2 GLU A 566 12.604 4.997 -14.994 1.00 35.32 O ATOM 0 H GLU A 566 8.318 3.715 -13.257 1.00 34.22 H new ATOM 0 HA GLU A 566 7.309 4.479 -15.722 1.00 45.31 H new ATOM 0 HB2 GLU A 566 9.719 5.195 -16.091 1.00 35.04 H new ATOM 0 HB3 GLU A 566 8.944 5.832 -14.654 1.00 35.04 H new ATOM 0 HG2 GLU A 566 10.092 4.231 -13.244 1.00 72.53 H new ATOM 0 HG3 GLU A 566 10.740 3.393 -14.641 1.00 72.53 H new ATOM 978 N ILE A 567 8.827 1.662 -15.886 1.00 22.32 N ATOM 979 CA ILE A 567 9.165 0.624 -16.822 1.00 14.43 C ATOM 980 C ILE A 567 8.190 -0.534 -16.711 1.00 13.13 C ATOM 981 O ILE A 567 7.514 -0.703 -15.689 1.00 23.33 O ATOM 982 CB ILE A 567 10.627 0.101 -16.657 1.00 63.45 C ATOM 983 CG1 ILE A 567 10.804 -0.698 -15.355 1.00 11.43 C ATOM 984 CG2 ILE A 567 11.605 1.273 -16.683 1.00 10.53 C ATOM 985 CD1 ILE A 567 12.156 -1.367 -15.249 1.00 20.54 C ATOM 0 H ILE A 567 8.841 1.388 -14.904 1.00 22.32 H new ATOM 0 HA ILE A 567 9.095 1.073 -17.813 1.00 14.43 H new ATOM 0 HB ILE A 567 10.835 -0.570 -17.490 1.00 63.45 H new ATOM 0 HG12 ILE A 567 10.668 -0.030 -14.504 1.00 11.43 H new ATOM 0 HG13 ILE A 567 10.024 -1.457 -15.292 1.00 11.43 H new ATOM 0 HG21 ILE A 567 12.623 0.900 -16.567 1.00 10.53 H new ATOM 0 HG22 ILE A 567 11.517 1.799 -17.634 1.00 10.53 H new ATOM 0 HG23 ILE A 567 11.374 1.958 -15.867 1.00 10.53 H new ATOM 0 HD11 ILE A 567 12.218 -1.915 -14.309 1.00 20.54 H new ATOM 0 HD12 ILE A 567 12.286 -2.059 -16.081 1.00 20.54 H new ATOM 0 HD13 ILE A 567 12.940 -0.610 -15.281 1.00 20.54 H new ATOM 997 N VAL A 568 8.106 -1.295 -17.763 1.00 0.24 N ATOM 998 CA VAL A 568 7.307 -2.488 -17.815 1.00 70.44 C ATOM 999 C VAL A 568 8.192 -3.583 -18.399 1.00 1.34 C ATOM 1000 O VAL A 568 9.104 -3.287 -19.186 1.00 11.23 O ATOM 1001 CB VAL A 568 6.010 -2.298 -18.684 1.00 11.50 C ATOM 1002 CG1 VAL A 568 6.322 -2.091 -20.157 1.00 3.13 C ATOM 1003 CG2 VAL A 568 5.035 -3.452 -18.495 1.00 4.24 C ATOM 0 H VAL A 568 8.604 -1.099 -18.632 1.00 0.24 H new ATOM 0 HA VAL A 568 6.960 -2.747 -16.815 1.00 70.44 H new ATOM 0 HB VAL A 568 5.532 -1.387 -18.325 1.00 11.50 H new ATOM 0 HG11 VAL A 568 5.392 -1.965 -20.712 1.00 3.13 H new ATOM 0 HG12 VAL A 568 6.939 -1.201 -20.277 1.00 3.13 H new ATOM 0 HG13 VAL A 568 6.859 -2.959 -20.541 1.00 3.13 H new ATOM 0 HG21 VAL A 568 4.151 -3.286 -19.111 1.00 4.24 H new ATOM 0 HG22 VAL A 568 5.514 -4.385 -18.791 1.00 4.24 H new ATOM 0 HG23 VAL A 568 4.741 -3.512 -17.447 1.00 4.24 H new ATOM 1013 N LYS A 569 7.984 -4.804 -17.997 1.00 4.51 N ATOM 1014 CA LYS A 569 8.799 -5.891 -18.496 1.00 32.41 C ATOM 1015 C LYS A 569 8.009 -6.842 -19.348 1.00 14.22 C ATOM 1016 O LYS A 569 6.769 -6.847 -19.307 1.00 50.23 O ATOM 1017 CB LYS A 569 9.490 -6.646 -17.372 1.00 1.13 C ATOM 1018 CG LYS A 569 10.627 -5.914 -16.653 1.00 50.35 C ATOM 1019 CD LYS A 569 11.961 -5.957 -17.419 1.00 1.42 C ATOM 1020 CE LYS A 569 11.985 -5.105 -18.691 1.00 11.53 C ATOM 1021 NZ LYS A 569 13.319 -5.054 -19.309 1.00 52.44 N ATOM 0 H LYS A 569 7.263 -5.078 -17.329 1.00 4.51 H new ATOM 0 HA LYS A 569 9.566 -5.433 -19.120 1.00 32.41 H new ATOM 0 HB2 LYS A 569 8.738 -6.918 -16.632 1.00 1.13 H new ATOM 0 HB3 LYS A 569 9.887 -7.576 -17.780 1.00 1.13 H new ATOM 0 HG2 LYS A 569 10.339 -4.874 -16.497 1.00 50.35 H new ATOM 0 HG3 LYS A 569 10.768 -6.357 -15.667 1.00 50.35 H new ATOM 0 HD2 LYS A 569 12.758 -5.621 -16.756 1.00 1.42 H new ATOM 0 HD3 LYS A 569 12.181 -6.991 -17.684 1.00 1.42 H new ATOM 0 HE2 LYS A 569 11.271 -5.509 -19.409 1.00 11.53 H new ATOM 0 HE3 LYS A 569 11.659 -4.092 -18.453 1.00 11.53 H new ATOM 0 HZ1 LYS A 569 13.282 -4.466 -20.166 1.00 52.44 H new ATOM 0 HZ2 LYS A 569 13.998 -4.644 -18.636 1.00 52.44 H new ATOM 0 HZ3 LYS A 569 13.621 -6.016 -19.563 1.00 52.44 H new ATOM 1035 N ILE A 570 8.729 -7.663 -20.088 1.00 30.00 N ATOM 1036 CA ILE A 570 8.128 -8.618 -20.989 1.00 64.40 C ATOM 1037 C ILE A 570 8.648 -10.021 -20.701 1.00 3.31 C ATOM 1038 O ILE A 570 9.839 -10.234 -20.490 1.00 13.21 O ATOM 1039 CB ILE A 570 8.378 -8.268 -22.499 1.00 23.21 C ATOM 1040 CG1 ILE A 570 7.741 -6.918 -22.866 1.00 21.53 C ATOM 1041 CG2 ILE A 570 7.846 -9.372 -23.424 1.00 22.14 C ATOM 1042 CD1 ILE A 570 7.925 -6.532 -24.322 1.00 42.52 C ATOM 0 H ILE A 570 9.749 -7.684 -20.079 1.00 30.00 H new ATOM 0 HA ILE A 570 7.053 -8.575 -20.815 1.00 64.40 H new ATOM 0 HB ILE A 570 9.456 -8.193 -22.640 1.00 23.21 H new ATOM 0 HG12 ILE A 570 6.675 -6.956 -22.641 1.00 21.53 H new ATOM 0 HG13 ILE A 570 8.172 -6.140 -22.236 1.00 21.53 H new ATOM 0 HG21 ILE A 570 8.035 -9.099 -24.462 1.00 22.14 H new ATOM 0 HG22 ILE A 570 8.351 -10.311 -23.198 1.00 22.14 H new ATOM 0 HG23 ILE A 570 6.774 -9.491 -23.269 1.00 22.14 H new ATOM 0 HD11 ILE A 570 7.449 -5.569 -24.506 1.00 42.52 H new ATOM 0 HD12 ILE A 570 8.989 -6.460 -24.548 1.00 42.52 H new ATOM 0 HD13 ILE A 570 7.469 -7.289 -24.960 1.00 42.52 H new ATOM 1054 N ILE A 571 7.740 -10.939 -20.658 1.00 71.43 N ATOM 1055 CA ILE A 571 8.034 -12.327 -20.491 1.00 41.52 C ATOM 1056 C ILE A 571 8.199 -12.927 -21.870 1.00 44.50 C ATOM 1057 O ILE A 571 7.314 -12.770 -22.714 1.00 0.14 O ATOM 1058 CB ILE A 571 6.868 -13.038 -19.781 1.00 55.30 C ATOM 1059 CG1 ILE A 571 6.620 -12.389 -18.418 1.00 71.22 C ATOM 1060 CG2 ILE A 571 7.141 -14.536 -19.649 1.00 2.34 C ATOM 1061 CD1 ILE A 571 5.452 -12.961 -17.662 1.00 21.42 C ATOM 0 H ILE A 571 6.743 -10.740 -20.740 1.00 71.43 H new ATOM 0 HA ILE A 571 8.937 -12.446 -19.892 1.00 41.52 H new ATOM 0 HB ILE A 571 5.966 -12.928 -20.383 1.00 55.30 H new ATOM 0 HG12 ILE A 571 7.518 -12.495 -17.810 1.00 71.22 H new ATOM 0 HG13 ILE A 571 6.457 -11.321 -18.562 1.00 71.22 H new ATOM 0 HG21 ILE A 571 6.302 -15.016 -19.144 1.00 2.34 H new ATOM 0 HG22 ILE A 571 7.265 -14.972 -20.640 1.00 2.34 H new ATOM 0 HG23 ILE A 571 8.050 -14.690 -19.068 1.00 2.34 H new ATOM 0 HD11 ILE A 571 5.348 -12.444 -16.708 1.00 21.42 H new ATOM 0 HD12 ILE A 571 4.541 -12.831 -18.247 1.00 21.42 H new ATOM 0 HD13 ILE A 571 5.620 -14.023 -17.483 1.00 21.42 H new ATOM 1073 N THR A 572 9.312 -13.567 -22.100 1.00 33.42 N ATOM 1074 CA THR A 572 9.602 -14.169 -23.372 1.00 42.23 C ATOM 1075 C THR A 572 9.614 -15.695 -23.255 1.00 24.31 C ATOM 1076 O THR A 572 10.456 -16.285 -22.563 1.00 5.13 O ATOM 1077 CB THR A 572 10.955 -13.636 -23.928 1.00 51.34 C ATOM 1078 OG1 THR A 572 11.979 -13.722 -22.916 1.00 60.51 O ATOM 1079 CG2 THR A 572 10.819 -12.187 -24.380 1.00 4.34 C ATOM 0 H THR A 572 10.049 -13.686 -21.405 1.00 33.42 H new ATOM 0 HA THR A 572 8.816 -13.895 -24.076 1.00 42.23 H new ATOM 0 HB THR A 572 11.234 -14.252 -24.783 1.00 51.34 H new ATOM 0 HG1 THR A 572 11.953 -14.608 -22.498 1.00 60.51 H new ATOM 0 HG21 THR A 572 11.776 -11.835 -24.765 1.00 4.34 H new ATOM 0 HG22 THR A 572 10.065 -12.120 -25.165 1.00 4.34 H new ATOM 0 HG23 THR A 572 10.518 -11.569 -23.534 1.00 4.34 H new ATOM 1087 N ILE A 573 8.653 -16.324 -23.883 1.00 11.10 N ATOM 1088 CA ILE A 573 8.554 -17.770 -23.866 1.00 74.30 C ATOM 1089 C ILE A 573 8.668 -18.278 -25.283 1.00 14.11 C ATOM 1090 O ILE A 573 7.998 -17.751 -26.185 1.00 51.43 O ATOM 1091 CB ILE A 573 7.197 -18.255 -23.282 1.00 72.23 C ATOM 1092 CG1 ILE A 573 6.951 -17.659 -21.898 1.00 25.12 C ATOM 1093 CG2 ILE A 573 7.145 -19.788 -23.219 1.00 2.32 C ATOM 1094 CD1 ILE A 573 5.581 -17.967 -21.349 1.00 1.44 C ATOM 0 H ILE A 573 7.920 -15.857 -24.418 1.00 11.10 H new ATOM 0 HA ILE A 573 9.355 -18.154 -23.234 1.00 74.30 H new ATOM 0 HB ILE A 573 6.407 -17.910 -23.949 1.00 72.23 H new ATOM 0 HG12 ILE A 573 7.705 -18.038 -21.208 1.00 25.12 H new ATOM 0 HG13 ILE A 573 7.080 -16.578 -21.948 1.00 25.12 H new ATOM 0 HG21 ILE A 573 6.186 -20.103 -22.807 1.00 2.32 H new ATOM 0 HG22 ILE A 573 7.261 -20.198 -24.222 1.00 2.32 H new ATOM 0 HG23 ILE A 573 7.951 -20.154 -22.583 1.00 2.32 H new ATOM 0 HD11 ILE A 573 5.474 -17.514 -20.364 1.00 1.44 H new ATOM 0 HD12 ILE A 573 4.822 -17.564 -22.019 1.00 1.44 H new ATOM 0 HD13 ILE A 573 5.456 -19.047 -21.267 1.00 1.44 H new ATOM 1106 N ARG A 574 9.528 -19.241 -25.486 1.00 60.14 N ATOM 1107 CA ARG A 574 9.678 -19.873 -26.774 1.00 23.11 C ATOM 1108 C ARG A 574 8.635 -20.964 -26.946 1.00 62.11 C ATOM 1109 O ARG A 574 8.418 -21.774 -26.036 1.00 13.53 O ATOM 1110 CB ARG A 574 11.055 -20.479 -26.912 1.00 14.52 C ATOM 1111 CG ARG A 574 12.175 -19.483 -26.917 1.00 32.11 C ATOM 1112 CD ARG A 574 13.501 -20.172 -26.966 1.00 51.50 C ATOM 1113 NE ARG A 574 13.725 -20.878 -28.225 1.00 52.04 N ATOM 1114 CZ ARG A 574 14.802 -21.621 -28.512 1.00 73.13 C ATOM 1115 NH1 ARG A 574 15.753 -21.808 -27.600 1.00 42.20 N ATOM 1116 NH2 ARG A 574 14.913 -22.193 -29.708 1.00 14.43 N ATOM 0 H ARG A 574 10.146 -19.611 -24.764 1.00 60.14 H new ATOM 0 HA ARG A 574 9.543 -19.112 -27.543 1.00 23.11 H new ATOM 0 HB2 ARG A 574 11.213 -21.180 -26.093 1.00 14.52 H new ATOM 0 HB3 ARG A 574 11.094 -21.055 -27.837 1.00 14.52 H new ATOM 0 HG2 ARG A 574 12.073 -18.820 -27.776 1.00 32.11 H new ATOM 0 HG3 ARG A 574 12.117 -18.860 -26.024 1.00 32.11 H new ATOM 0 HD2 ARG A 574 14.293 -19.437 -26.821 1.00 51.50 H new ATOM 0 HD3 ARG A 574 13.568 -20.880 -26.140 1.00 51.50 H new ATOM 0 HE ARG A 574 13.004 -20.799 -28.942 1.00 52.04 H new ATOM 0 HH11 ARG A 574 15.664 -21.385 -26.676 1.00 42.20 H new ATOM 0 HH12 ARG A 574 16.571 -22.375 -27.825 1.00 42.20 H new ATOM 0 HH21 ARG A 574 14.179 -22.065 -30.404 1.00 14.43 H new ATOM 0 HH22 ARG A 574 15.732 -22.759 -29.929 1.00 14.43 H new ATOM 1130 N ILE A 575 7.986 -20.972 -28.074 1.00 71.01 N ATOM 1131 CA ILE A 575 6.987 -21.983 -28.390 1.00 74.11 C ATOM 1132 C ILE A 575 7.587 -22.928 -29.425 1.00 23.11 C ATOM 1133 O ILE A 575 8.142 -22.467 -30.438 1.00 73.55 O ATOM 1134 CB ILE A 575 5.685 -21.331 -28.956 1.00 22.05 C ATOM 1135 CG1 ILE A 575 5.089 -20.313 -27.950 1.00 21.23 C ATOM 1136 CG2 ILE A 575 4.650 -22.389 -29.337 1.00 31.42 C ATOM 1137 CD1 ILE A 575 4.725 -20.896 -26.589 1.00 44.02 C ATOM 0 H ILE A 575 8.126 -20.281 -28.811 1.00 71.01 H new ATOM 0 HA ILE A 575 6.716 -22.524 -27.483 1.00 74.11 H new ATOM 0 HB ILE A 575 5.957 -20.792 -29.863 1.00 22.05 H new ATOM 0 HG12 ILE A 575 5.807 -19.506 -27.803 1.00 21.23 H new ATOM 0 HG13 ILE A 575 4.196 -19.869 -28.390 1.00 21.23 H new ATOM 0 HG21 ILE A 575 3.757 -21.901 -29.727 1.00 31.42 H new ATOM 0 HG22 ILE A 575 5.066 -23.047 -30.100 1.00 31.42 H new ATOM 0 HG23 ILE A 575 4.388 -22.975 -28.456 1.00 31.42 H new ATOM 0 HD11 ILE A 575 4.316 -20.110 -25.954 1.00 44.02 H new ATOM 0 HD12 ILE A 575 3.981 -21.682 -26.717 1.00 44.02 H new ATOM 0 HD13 ILE A 575 5.617 -21.313 -26.122 1.00 44.02 H new ATOM 1149 N PHE A 576 7.505 -24.220 -29.193 1.00 13.25 N ATOM 1150 CA PHE A 576 8.141 -25.169 -30.091 1.00 33.55 C ATOM 1151 C PHE A 576 7.134 -26.074 -30.790 1.00 51.12 C ATOM 1152 O PHE A 576 6.454 -26.873 -30.155 1.00 45.32 O ATOM 1153 CB PHE A 576 9.150 -26.042 -29.341 1.00 23.52 C ATOM 1154 CG PHE A 576 10.217 -25.288 -28.600 1.00 2.54 C ATOM 1155 CD1 PHE A 576 11.180 -24.565 -29.276 1.00 50.04 C ATOM 1156 CD2 PHE A 576 10.267 -25.328 -27.222 1.00 51.13 C ATOM 1157 CE1 PHE A 576 12.165 -23.900 -28.594 1.00 72.34 C ATOM 1158 CE2 PHE A 576 11.251 -24.662 -26.536 1.00 53.43 C ATOM 1159 CZ PHE A 576 12.202 -23.947 -27.220 1.00 54.11 C ATOM 0 H PHE A 576 7.013 -24.637 -28.403 1.00 13.25 H new ATOM 0 HA PHE A 576 8.653 -24.574 -30.847 1.00 33.55 H new ATOM 0 HB2 PHE A 576 8.609 -26.667 -28.631 1.00 23.52 H new ATOM 0 HB3 PHE A 576 9.629 -26.712 -30.055 1.00 23.52 H new ATOM 0 HD1 PHE A 576 11.156 -24.523 -30.355 1.00 50.04 H new ATOM 0 HD2 PHE A 576 9.523 -25.890 -26.677 1.00 51.13 H new ATOM 0 HE1 PHE A 576 12.912 -23.339 -29.135 1.00 72.34 H new ATOM 0 HE2 PHE A 576 11.277 -24.700 -25.457 1.00 53.43 H new ATOM 0 HZ PHE A 576 12.977 -23.423 -26.681 1.00 54.11 H new ATOM 1308 N CYS A 585 -2.884 -28.214 -26.072 1.00 43.44 N ATOM 1309 CA CYS A 585 -2.345 -28.098 -24.766 1.00 75.43 C ATOM 1310 C CYS A 585 -2.368 -26.672 -24.269 1.00 4.34 C ATOM 1311 O CYS A 585 -2.174 -25.726 -25.044 1.00 32.22 O ATOM 1312 CB CYS A 585 -0.936 -28.660 -24.773 1.00 23.33 C ATOM 1313 SG CYS A 585 -0.876 -30.391 -25.291 1.00 62.42 S ATOM 0 HA CYS A 585 -2.964 -28.669 -24.074 1.00 75.43 H new ATOM 0 HB2 CYS A 585 -0.315 -28.064 -25.441 1.00 23.33 H new ATOM 0 HB3 CYS A 585 -0.508 -28.569 -23.775 1.00 23.33 H new ATOM 0 HG CYS A 585 0.356 -30.806 -25.276 1.00 62.42 H new ATOM 1319 N SER A 586 -2.659 -26.516 -23.004 1.00 41.50 N ATOM 1320 CA SER A 586 -2.654 -25.232 -22.382 1.00 61.54 C ATOM 1321 C SER A 586 -1.852 -25.288 -21.092 1.00 11.13 C ATOM 1322 O SER A 586 -2.146 -26.091 -20.204 1.00 2.04 O ATOM 1323 CB SER A 586 -4.086 -24.739 -22.135 1.00 31.13 C ATOM 1324 OG SER A 586 -4.851 -25.664 -21.354 1.00 14.51 O ATOM 0 H SER A 586 -2.906 -27.284 -22.380 1.00 41.50 H new ATOM 0 HA SER A 586 -2.177 -24.515 -23.050 1.00 61.54 H new ATOM 0 HB2 SER A 586 -4.054 -23.776 -21.625 1.00 31.13 H new ATOM 0 HB3 SER A 586 -4.582 -24.577 -23.092 1.00 31.13 H new ATOM 0 HG SER A 586 -4.259 -26.134 -20.730 1.00 14.51 H new ATOM 1330 N PHE A 587 -0.827 -24.491 -21.009 1.00 74.31 N ATOM 1331 CA PHE A 587 -0.027 -24.427 -19.814 1.00 61.31 C ATOM 1332 C PHE A 587 -0.319 -23.113 -19.140 1.00 32.24 C ATOM 1333 O PHE A 587 -0.954 -22.247 -19.734 1.00 14.42 O ATOM 1334 CB PHE A 587 1.488 -24.596 -20.105 1.00 11.13 C ATOM 1335 CG PHE A 587 2.135 -23.504 -20.931 1.00 61.35 C ATOM 1336 CD1 PHE A 587 2.128 -23.567 -22.305 1.00 44.12 C ATOM 1337 CD2 PHE A 587 2.770 -22.429 -20.320 1.00 32.41 C ATOM 1338 CE1 PHE A 587 2.731 -22.585 -23.063 1.00 4.01 C ATOM 1339 CE2 PHE A 587 3.377 -21.446 -21.076 1.00 43.43 C ATOM 1340 CZ PHE A 587 3.354 -21.528 -22.452 1.00 4.55 C ATOM 0 H PHE A 587 -0.521 -23.871 -21.759 1.00 74.31 H new ATOM 0 HA PHE A 587 -0.288 -25.257 -19.157 1.00 61.31 H new ATOM 0 HB2 PHE A 587 2.015 -24.663 -19.153 1.00 11.13 H new ATOM 0 HB3 PHE A 587 1.635 -25.546 -20.618 1.00 11.13 H new ATOM 0 HD1 PHE A 587 1.643 -24.397 -22.797 1.00 44.12 H new ATOM 0 HD2 PHE A 587 2.789 -22.362 -19.242 1.00 32.41 H new ATOM 0 HE1 PHE A 587 2.712 -22.649 -24.141 1.00 4.01 H new ATOM 0 HE2 PHE A 587 3.868 -20.615 -20.591 1.00 43.43 H new ATOM 0 HZ PHE A 587 3.826 -20.761 -23.048 1.00 4.55 H new ATOM 1350 N SER A 588 0.119 -22.935 -17.944 1.00 33.31 N ATOM 1351 CA SER A 588 -0.178 -21.721 -17.270 1.00 35.13 C ATOM 1352 C SER A 588 1.102 -21.023 -16.882 1.00 51.20 C ATOM 1353 O SER A 588 2.174 -21.614 -16.907 1.00 41.42 O ATOM 1354 CB SER A 588 -1.040 -22.001 -16.050 1.00 51.43 C ATOM 1355 OG SER A 588 -2.059 -22.946 -16.365 1.00 45.41 O ATOM 0 H SER A 588 0.678 -23.606 -17.417 1.00 33.31 H new ATOM 0 HA SER A 588 -0.737 -21.064 -17.937 1.00 35.13 H new ATOM 0 HB2 SER A 588 -0.420 -22.383 -15.239 1.00 51.43 H new ATOM 0 HB3 SER A 588 -1.492 -21.074 -15.696 1.00 51.43 H new ATOM 0 HG SER A 588 -2.604 -23.117 -15.569 1.00 45.41 H new ATOM 1361 N LEU A 589 0.991 -19.788 -16.583 1.00 24.01 N ATOM 1362 CA LEU A 589 2.075 -18.994 -16.147 1.00 4.20 C ATOM 1363 C LEU A 589 1.574 -18.170 -14.993 1.00 42.20 C ATOM 1364 O LEU A 589 0.531 -17.525 -15.100 1.00 51.43 O ATOM 1365 CB LEU A 589 2.535 -18.092 -17.295 1.00 44.53 C ATOM 1366 CG LEU A 589 3.697 -17.150 -17.007 1.00 4.10 C ATOM 1367 CD1 LEU A 589 4.945 -17.907 -16.664 1.00 13.42 C ATOM 1368 CD2 LEU A 589 3.954 -16.263 -18.179 1.00 52.14 C ATOM 0 H LEU A 589 0.108 -19.280 -16.637 1.00 24.01 H new ATOM 0 HA LEU A 589 2.924 -19.604 -15.838 1.00 4.20 H new ATOM 0 HB2 LEU A 589 2.814 -18.728 -18.135 1.00 44.53 H new ATOM 0 HB3 LEU A 589 1.684 -17.492 -17.617 1.00 44.53 H new ATOM 0 HG LEU A 589 3.418 -16.540 -16.147 1.00 4.10 H new ATOM 0 HD11 LEU A 589 5.754 -17.204 -16.464 1.00 13.42 H new ATOM 0 HD12 LEU A 589 4.768 -18.518 -15.779 1.00 13.42 H new ATOM 0 HD13 LEU A 589 5.221 -18.550 -17.499 1.00 13.42 H new ATOM 0 HD21 LEU A 589 4.787 -15.597 -17.955 1.00 52.14 H new ATOM 0 HD22 LEU A 589 4.200 -16.872 -19.049 1.00 52.14 H new ATOM 0 HD23 LEU A 589 3.063 -15.671 -18.390 1.00 52.14 H new ATOM 1380 N VAL A 590 2.247 -18.240 -13.891 1.00 2.14 N ATOM 1381 CA VAL A 590 1.858 -17.491 -12.721 1.00 63.24 C ATOM 1382 C VAL A 590 3.010 -16.640 -12.254 1.00 34.04 C ATOM 1383 O VAL A 590 4.169 -16.901 -12.614 1.00 44.11 O ATOM 1384 CB VAL A 590 1.349 -18.391 -11.552 1.00 30.20 C ATOM 1385 CG1 VAL A 590 0.079 -19.138 -11.940 1.00 25.12 C ATOM 1386 CG2 VAL A 590 2.420 -19.368 -11.087 1.00 52.01 C ATOM 0 H VAL A 590 3.081 -18.814 -13.767 1.00 2.14 H new ATOM 0 HA VAL A 590 1.018 -16.861 -13.015 1.00 63.24 H new ATOM 0 HB VAL A 590 1.115 -17.728 -10.719 1.00 30.20 H new ATOM 0 HG11 VAL A 590 -0.249 -19.756 -11.104 1.00 25.12 H new ATOM 0 HG12 VAL A 590 -0.703 -18.421 -12.190 1.00 25.12 H new ATOM 0 HG13 VAL A 590 0.279 -19.772 -12.803 1.00 25.12 H new ATOM 0 HG21 VAL A 590 2.028 -19.977 -10.272 1.00 52.01 H new ATOM 0 HG22 VAL A 590 2.708 -20.014 -11.916 1.00 52.01 H new ATOM 0 HG23 VAL A 590 3.292 -18.814 -10.739 1.00 52.01 H new ATOM 1396 N LEU A 591 2.706 -15.630 -11.492 1.00 42.13 N ATOM 1397 CA LEU A 591 3.709 -14.753 -10.966 1.00 53.01 C ATOM 1398 C LEU A 591 3.955 -15.125 -9.538 1.00 33.13 C ATOM 1399 O LEU A 591 3.017 -15.356 -8.775 1.00 12.42 O ATOM 1400 CB LEU A 591 3.269 -13.297 -11.038 1.00 10.13 C ATOM 1401 CG LEU A 591 3.055 -12.694 -12.430 1.00 3.33 C ATOM 1402 CD1 LEU A 591 2.422 -11.320 -12.317 1.00 34.42 C ATOM 1403 CD2 LEU A 591 4.379 -12.582 -13.163 1.00 42.21 C ATOM 0 H LEU A 591 1.753 -15.391 -11.218 1.00 42.13 H new ATOM 0 HA LEU A 591 4.617 -14.858 -11.560 1.00 53.01 H new ATOM 0 HB2 LEU A 591 2.337 -13.199 -10.481 1.00 10.13 H new ATOM 0 HB3 LEU A 591 4.015 -12.694 -10.520 1.00 10.13 H new ATOM 0 HG LEU A 591 2.389 -13.350 -12.990 1.00 3.33 H new ATOM 0 HD11 LEU A 591 2.276 -10.904 -13.314 1.00 34.42 H new ATOM 0 HD12 LEU A 591 1.459 -11.403 -11.814 1.00 34.42 H new ATOM 0 HD13 LEU A 591 3.076 -10.664 -11.742 1.00 34.42 H new ATOM 0 HD21 LEU A 591 4.213 -12.152 -14.151 1.00 42.21 H new ATOM 0 HD22 LEU A 591 5.055 -11.941 -12.597 1.00 42.21 H new ATOM 0 HD23 LEU A 591 4.822 -13.573 -13.268 1.00 42.21 H new ATOM 1415 N GLU A 592 5.175 -15.183 -9.186 1.00 31.44 N ATOM 1416 CA GLU A 592 5.579 -15.529 -7.864 1.00 51.42 C ATOM 1417 C GLU A 592 5.867 -14.281 -7.087 1.00 71.12 C ATOM 1418 O GLU A 592 5.866 -13.184 -7.654 1.00 1.43 O ATOM 1419 CB GLU A 592 6.782 -16.465 -7.895 1.00 12.12 C ATOM 1420 CG GLU A 592 6.442 -17.866 -8.363 1.00 64.33 C ATOM 1421 CD GLU A 592 5.647 -18.649 -7.334 1.00 71.34 C ATOM 1422 OE1 GLU A 592 4.468 -18.333 -7.072 1.00 32.31 O ATOM 1423 OE2 GLU A 592 6.196 -19.626 -6.770 1.00 43.41 O ATOM 0 H GLU A 592 5.952 -14.988 -9.818 1.00 31.44 H new ATOM 0 HA GLU A 592 4.770 -16.064 -7.366 1.00 51.42 H new ATOM 0 HB2 GLU A 592 7.543 -16.045 -8.552 1.00 12.12 H new ATOM 0 HB3 GLU A 592 7.217 -16.519 -6.897 1.00 12.12 H new ATOM 0 HG2 GLU A 592 5.871 -17.807 -9.290 1.00 64.33 H new ATOM 0 HG3 GLU A 592 7.363 -18.403 -8.590 1.00 64.33 H new ATOM 1430 N GLU A 593 6.084 -14.446 -5.807 1.00 75.40 N ATOM 1431 CA GLU A 593 6.312 -13.348 -4.920 1.00 43.11 C ATOM 1432 C GLU A 593 7.503 -12.470 -5.327 1.00 1.52 C ATOM 1433 O GLU A 593 8.632 -12.945 -5.502 1.00 75.02 O ATOM 1434 CB GLU A 593 6.344 -13.823 -3.455 1.00 55.41 C ATOM 1435 CG GLU A 593 7.284 -14.989 -3.120 1.00 63.54 C ATOM 1436 CD GLU A 593 8.732 -14.615 -3.057 1.00 52.45 C ATOM 1437 OE1 GLU A 593 9.100 -13.779 -2.188 1.00 34.22 O ATOM 1438 OE2 GLU A 593 9.533 -15.138 -3.850 1.00 54.12 O ATOM 0 H GLU A 593 6.106 -15.359 -5.352 1.00 75.40 H new ATOM 0 HA GLU A 593 5.460 -12.674 -5.008 1.00 43.11 H new ATOM 0 HB2 GLU A 593 6.621 -12.974 -2.830 1.00 55.41 H new ATOM 0 HB3 GLU A 593 5.332 -14.111 -3.170 1.00 55.41 H new ATOM 0 HG2 GLU A 593 6.989 -15.414 -2.161 1.00 63.54 H new ATOM 0 HG3 GLU A 593 7.155 -15.771 -3.869 1.00 63.54 H new ATOM 1445 N PRO A 594 7.248 -11.189 -5.557 1.00 32.40 N ATOM 1446 CA PRO A 594 8.275 -10.286 -5.922 1.00 43.34 C ATOM 1447 C PRO A 594 9.106 -9.889 -4.722 1.00 1.12 C ATOM 1448 O PRO A 594 8.610 -9.771 -3.593 1.00 15.22 O ATOM 1449 CB PRO A 594 7.552 -9.096 -6.531 1.00 34.14 C ATOM 1450 CG PRO A 594 6.159 -9.156 -6.026 1.00 41.14 C ATOM 1451 CD PRO A 594 5.935 -10.535 -5.477 1.00 73.25 C ATOM 0 HA PRO A 594 8.981 -10.727 -6.626 1.00 43.34 H new ATOM 0 HB2 PRO A 594 8.031 -8.160 -6.242 1.00 34.14 H new ATOM 0 HB3 PRO A 594 7.574 -9.143 -7.620 1.00 34.14 H new ATOM 0 HG2 PRO A 594 5.999 -8.405 -5.252 1.00 41.14 H new ATOM 0 HG3 PRO A 594 5.452 -8.943 -6.827 1.00 41.14 H new ATOM 0 HD2 PRO A 594 5.574 -10.498 -4.449 1.00 73.25 H new ATOM 0 HD3 PRO A 594 5.188 -11.076 -6.058 1.00 73.25 H new ATOM 1459 N LYS A 595 10.348 -9.715 -4.957 1.00 62.04 N ATOM 1460 CA LYS A 595 11.275 -9.405 -3.915 1.00 33.02 C ATOM 1461 C LYS A 595 11.912 -8.064 -4.172 1.00 73.33 C ATOM 1462 O LYS A 595 12.331 -7.771 -5.299 1.00 41.41 O ATOM 1463 CB LYS A 595 12.288 -10.551 -3.764 1.00 0.10 C ATOM 1464 CG LYS A 595 12.948 -10.988 -5.068 1.00 11.11 C ATOM 1465 CD LYS A 595 13.617 -12.368 -4.971 1.00 62.41 C ATOM 1466 CE LYS A 595 12.616 -13.553 -5.035 1.00 41.11 C ATOM 1467 NZ LYS A 595 11.699 -13.649 -3.871 1.00 54.05 N ATOM 0 H LYS A 595 10.766 -9.782 -5.885 1.00 62.04 H new ATOM 0 HA LYS A 595 10.759 -9.318 -2.959 1.00 33.02 H new ATOM 0 HB2 LYS A 595 13.065 -10.243 -3.064 1.00 0.10 H new ATOM 0 HB3 LYS A 595 11.783 -11.410 -3.322 1.00 0.10 H new ATOM 0 HG2 LYS A 595 12.198 -11.009 -5.859 1.00 11.11 H new ATOM 0 HG3 LYS A 595 13.695 -10.248 -5.356 1.00 11.11 H new ATOM 0 HD2 LYS A 595 14.339 -12.470 -5.781 1.00 62.41 H new ATOM 0 HD3 LYS A 595 14.176 -12.426 -4.037 1.00 62.41 H new ATOM 0 HE2 LYS A 595 12.021 -13.460 -5.943 1.00 41.11 H new ATOM 0 HE3 LYS A 595 13.179 -14.483 -5.116 1.00 41.11 H new ATOM 0 HZ1 LYS A 595 11.223 -14.573 -3.880 1.00 54.05 H new ATOM 0 HZ2 LYS A 595 12.244 -13.548 -2.991 1.00 54.05 H new ATOM 0 HZ3 LYS A 595 10.988 -12.892 -3.926 1.00 54.05 H new ATOM 1481 N TRP A 596 11.941 -7.247 -3.152 1.00 44.32 N ATOM 1482 CA TRP A 596 12.430 -5.901 -3.264 1.00 52.21 C ATOM 1483 C TRP A 596 13.866 -5.849 -2.782 1.00 73.11 C ATOM 1484 O TRP A 596 14.169 -6.187 -1.625 1.00 63.42 O ATOM 1485 CB TRP A 596 11.540 -4.949 -2.434 1.00 60.03 C ATOM 1486 CG TRP A 596 11.799 -3.457 -2.620 1.00 23.55 C ATOM 1487 CD1 TRP A 596 12.852 -2.853 -3.249 1.00 62.12 C ATOM 1488 CD2 TRP A 596 10.966 -2.398 -2.156 1.00 62.54 C ATOM 1489 NE1 TRP A 596 12.729 -1.491 -3.181 1.00 12.11 N ATOM 1490 CE2 TRP A 596 11.576 -1.183 -2.522 1.00 50.05 C ATOM 1491 CE3 TRP A 596 9.767 -2.364 -1.463 1.00 71.24 C ATOM 1492 CZ2 TRP A 596 11.017 0.054 -2.216 1.00 11.22 C ATOM 1493 CZ3 TRP A 596 9.205 -1.139 -1.157 1.00 72.14 C ATOM 1494 CH2 TRP A 596 9.833 0.056 -1.532 1.00 22.14 C ATOM 0 H TRP A 596 11.624 -7.499 -2.216 1.00 44.32 H new ATOM 0 HA TRP A 596 12.395 -5.581 -4.305 1.00 52.21 H new ATOM 0 HB2 TRP A 596 10.498 -5.150 -2.682 1.00 60.03 H new ATOM 0 HB3 TRP A 596 11.669 -5.191 -1.379 1.00 60.03 H new ATOM 0 HD1 TRP A 596 13.665 -3.376 -3.731 1.00 62.12 H new ATOM 0 HE1 TRP A 596 13.392 -0.816 -3.562 1.00 12.11 H new ATOM 0 HE3 TRP A 596 9.279 -3.281 -1.166 1.00 71.24 H new ATOM 0 HZ2 TRP A 596 11.499 0.976 -2.507 1.00 11.22 H new ATOM 0 HZ3 TRP A 596 8.268 -1.102 -0.621 1.00 72.14 H new ATOM 0 HH2 TRP A 596 9.372 0.998 -1.275 1.00 22.14 H new ATOM 1505 N ILE A 597 14.733 -5.458 -3.660 1.00 24.30 N ATOM 1506 CA ILE A 597 16.119 -5.283 -3.352 1.00 12.42 C ATOM 1507 C ILE A 597 16.299 -3.837 -2.920 1.00 24.31 C ATOM 1508 O ILE A 597 16.425 -2.920 -3.741 1.00 54.35 O ATOM 1509 CB ILE A 597 17.076 -5.647 -4.557 1.00 44.23 C ATOM 1510 CG1 ILE A 597 17.022 -7.151 -4.917 1.00 21.54 C ATOM 1511 CG2 ILE A 597 18.514 -5.247 -4.271 1.00 13.21 C ATOM 1512 CD1 ILE A 597 15.735 -7.620 -5.555 1.00 14.12 C ATOM 0 H ILE A 597 14.495 -5.247 -4.629 1.00 24.30 H new ATOM 0 HA ILE A 597 16.401 -5.971 -2.555 1.00 12.42 H new ATOM 0 HB ILE A 597 16.711 -5.077 -5.412 1.00 44.23 H new ATOM 0 HG12 ILE A 597 17.846 -7.375 -5.595 1.00 21.54 H new ATOM 0 HG13 ILE A 597 17.190 -7.731 -4.009 1.00 21.54 H new ATOM 0 HG21 ILE A 597 19.142 -5.513 -5.122 1.00 13.21 H new ATOM 0 HG22 ILE A 597 18.566 -4.171 -4.104 1.00 13.21 H new ATOM 0 HG23 ILE A 597 18.867 -5.770 -3.382 1.00 13.21 H new ATOM 0 HD11 ILE A 597 15.802 -8.687 -5.767 1.00 14.12 H new ATOM 0 HD12 ILE A 597 14.904 -7.437 -4.874 1.00 14.12 H new ATOM 0 HD13 ILE A 597 15.570 -7.075 -6.485 1.00 14.12 H new ATOM 2107 N ILE A 634 3.624 -6.815 -4.301 1.00 54.24 N ATOM 2108 CA ILE A 634 2.984 -8.111 -4.363 1.00 13.51 C ATOM 2109 C ILE A 634 2.304 -8.275 -5.707 1.00 11.34 C ATOM 2110 O ILE A 634 2.414 -7.413 -6.578 1.00 34.30 O ATOM 2111 CB ILE A 634 1.943 -8.374 -3.207 1.00 61.12 C ATOM 2112 CG1 ILE A 634 0.715 -7.403 -3.223 1.00 73.22 C ATOM 2113 CG2 ILE A 634 2.624 -8.366 -1.848 1.00 3.11 C ATOM 2114 CD1 ILE A 634 1.002 -5.947 -2.895 1.00 34.31 C ATOM 0 HA ILE A 634 3.776 -8.849 -4.231 1.00 13.51 H new ATOM 0 HB ILE A 634 1.537 -9.368 -3.397 1.00 61.12 H new ATOM 0 HG12 ILE A 634 0.257 -7.447 -4.211 1.00 73.22 H new ATOM 0 HG13 ILE A 634 -0.024 -7.774 -2.513 1.00 73.22 H new ATOM 0 HG21 ILE A 634 1.884 -8.550 -1.069 1.00 3.11 H new ATOM 0 HG22 ILE A 634 3.384 -9.146 -1.817 1.00 3.11 H new ATOM 0 HG23 ILE A 634 3.093 -7.396 -1.682 1.00 3.11 H new ATOM 0 HD11 ILE A 634 0.075 -5.375 -2.938 1.00 34.31 H new ATOM 0 HD12 ILE A 634 1.426 -5.876 -1.893 1.00 34.31 H new ATOM 0 HD13 ILE A 634 1.711 -5.544 -3.618 1.00 34.31 H new ATOM 2126 N LEU A 635 1.639 -9.374 -5.891 1.00 53.04 N ATOM 2127 CA LEU A 635 0.943 -9.616 -7.122 1.00 71.31 C ATOM 2128 C LEU A 635 -0.498 -9.176 -6.973 1.00 73.50 C ATOM 2129 O LEU A 635 -0.936 -8.833 -5.869 1.00 62.10 O ATOM 2130 CB LEU A 635 0.986 -11.107 -7.532 1.00 42.24 C ATOM 2131 CG LEU A 635 2.359 -11.776 -7.701 1.00 32.13 C ATOM 2132 CD1 LEU A 635 3.317 -10.911 -8.503 1.00 53.45 C ATOM 2133 CD2 LEU A 635 2.953 -12.185 -6.367 1.00 5.24 C ATOM 0 H LEU A 635 1.562 -10.122 -5.202 1.00 53.04 H new ATOM 0 HA LEU A 635 1.440 -9.044 -7.906 1.00 71.31 H new ATOM 0 HB2 LEU A 635 0.430 -11.673 -6.785 1.00 42.24 H new ATOM 0 HB3 LEU A 635 0.448 -11.208 -8.475 1.00 42.24 H new ATOM 0 HG LEU A 635 2.199 -12.689 -8.275 1.00 32.13 H new ATOM 0 HD11 LEU A 635 4.275 -11.422 -8.598 1.00 53.45 H new ATOM 0 HD12 LEU A 635 2.901 -10.731 -9.494 1.00 53.45 H new ATOM 0 HD13 LEU A 635 3.462 -9.959 -7.992 1.00 53.45 H new ATOM 0 HD21 LEU A 635 3.923 -12.654 -6.529 1.00 5.24 H new ATOM 0 HD22 LEU A 635 3.077 -11.303 -5.738 1.00 5.24 H new ATOM 0 HD23 LEU A 635 2.286 -12.892 -5.873 1.00 5.24 H new ATOM 2145 N GLY A 636 -1.214 -9.169 -8.063 1.00 70.44 N ATOM 2146 CA GLY A 636 -2.617 -8.850 -8.027 1.00 70.11 C ATOM 2147 C GLY A 636 -3.439 -9.988 -7.452 1.00 3.32 C ATOM 2148 O GLY A 636 -2.883 -11.055 -7.122 1.00 11.24 O ATOM 0 H GLY A 636 -0.849 -9.381 -8.991 1.00 70.44 H new ATOM 0 HA2 GLY A 636 -2.770 -7.952 -7.428 1.00 70.11 H new ATOM 0 HA3 GLY A 636 -2.964 -8.624 -9.035 1.00 70.11 H new ATOM 2152 N GLU A 637 -4.748 -9.762 -7.366 1.00 11.21 N ATOM 2153 CA GLU A 637 -5.733 -10.694 -6.800 1.00 22.24 C ATOM 2154 C GLU A 637 -5.530 -12.106 -7.338 1.00 71.03 C ATOM 2155 O GLU A 637 -5.101 -13.008 -6.611 1.00 31.54 O ATOM 2156 CB GLU A 637 -7.134 -10.192 -7.165 1.00 2.22 C ATOM 2157 CG GLU A 637 -8.281 -10.982 -6.583 1.00 61.33 C ATOM 2158 CD GLU A 637 -9.616 -10.498 -7.088 1.00 5.33 C ATOM 2159 OE1 GLU A 637 -10.147 -9.511 -6.530 1.00 4.04 O ATOM 2160 OE2 GLU A 637 -10.144 -11.081 -8.077 1.00 55.24 O ATOM 0 H GLU A 637 -5.172 -8.896 -7.699 1.00 11.21 H new ATOM 0 HA GLU A 637 -5.610 -10.734 -5.718 1.00 22.24 H new ATOM 0 HB2 GLU A 637 -7.226 -9.156 -6.838 1.00 2.22 H new ATOM 0 HB3 GLU A 637 -7.229 -10.193 -8.251 1.00 2.22 H new ATOM 0 HG2 GLU A 637 -8.159 -12.036 -6.834 1.00 61.33 H new ATOM 0 HG3 GLU A 637 -8.257 -10.908 -5.496 1.00 61.33 H new ATOM 2167 N HIS A 638 -5.808 -12.285 -8.604 1.00 40.13 N ATOM 2168 CA HIS A 638 -5.669 -13.559 -9.257 1.00 31.43 C ATOM 2169 C HIS A 638 -4.978 -13.348 -10.562 1.00 41.10 C ATOM 2170 O HIS A 638 -5.592 -12.972 -11.557 1.00 71.23 O ATOM 2171 CB HIS A 638 -7.039 -14.231 -9.476 1.00 61.50 C ATOM 2172 CG HIS A 638 -7.776 -14.466 -8.205 1.00 41.54 C ATOM 2173 ND1 HIS A 638 -8.986 -13.903 -7.895 1.00 72.40 N ATOM 2174 CD2 HIS A 638 -7.409 -15.175 -7.130 1.00 61.33 C ATOM 2175 CE1 HIS A 638 -9.307 -14.271 -6.661 1.00 41.43 C ATOM 2176 NE2 HIS A 638 -8.379 -15.054 -6.142 1.00 74.30 N ATOM 0 H HIS A 638 -6.141 -11.541 -9.217 1.00 40.13 H new ATOM 0 HA HIS A 638 -5.082 -14.224 -8.624 1.00 31.43 H new ATOM 0 HB2 HIS A 638 -7.645 -13.605 -10.131 1.00 61.50 H new ATOM 0 HB3 HIS A 638 -6.894 -15.182 -9.988 1.00 61.50 H new ATOM 0 HD1 HIS A 638 -9.543 -13.305 -8.506 1.00 72.40 H new ATOM 0 HD2 HIS A 638 -6.500 -15.752 -7.044 1.00 61.33 H new ATOM 0 HE1 HIS A 638 -10.209 -13.970 -6.149 1.00 41.43 H new ATOM 2184 N THR A 639 -3.701 -13.500 -10.560 1.00 21.25 N ATOM 2185 CA THR A 639 -2.977 -13.297 -11.750 1.00 30.50 C ATOM 2186 C THR A 639 -2.382 -14.622 -12.224 1.00 0.43 C ATOM 2187 O THR A 639 -1.482 -15.185 -11.605 1.00 32.32 O ATOM 2188 CB THR A 639 -1.902 -12.164 -11.554 1.00 0.34 C ATOM 2189 OG1 THR A 639 -1.181 -11.918 -12.749 1.00 10.12 O ATOM 2190 CG2 THR A 639 -0.926 -12.472 -10.421 1.00 23.42 C ATOM 0 H THR A 639 -3.144 -13.763 -9.747 1.00 21.25 H new ATOM 0 HA THR A 639 -3.644 -12.948 -12.538 1.00 30.50 H new ATOM 0 HB THR A 639 -2.460 -11.267 -11.283 1.00 0.34 H new ATOM 0 HG1 THR A 639 -0.764 -12.750 -13.057 1.00 10.12 H new ATOM 0 HG21 THR A 639 -0.206 -11.658 -10.329 1.00 23.42 H new ATOM 0 HG22 THR A 639 -1.476 -12.577 -9.486 1.00 23.42 H new ATOM 0 HG23 THR A 639 -0.398 -13.401 -10.638 1.00 23.42 H new ATOM 2198 N LYS A 640 -2.936 -15.129 -13.280 1.00 44.43 N ATOM 2199 CA LYS A 640 -2.481 -16.334 -13.902 1.00 23.44 C ATOM 2200 C LYS A 640 -2.746 -16.194 -15.361 1.00 43.01 C ATOM 2201 O LYS A 640 -3.803 -15.708 -15.736 1.00 52.42 O ATOM 2202 CB LYS A 640 -3.213 -17.564 -13.347 1.00 61.52 C ATOM 2203 CG LYS A 640 -2.730 -18.896 -13.939 1.00 44.11 C ATOM 2204 CD LYS A 640 -3.465 -20.089 -13.348 1.00 55.31 C ATOM 2205 CE LYS A 640 -4.914 -20.069 -13.753 1.00 23.55 C ATOM 2206 NZ LYS A 640 -5.689 -21.201 -13.209 1.00 45.24 N ATOM 0 H LYS A 640 -3.738 -14.706 -13.746 1.00 44.43 H new ATOM 0 HA LYS A 640 -1.420 -16.482 -13.702 1.00 23.44 H new ATOM 0 HB2 LYS A 640 -3.087 -17.592 -12.265 1.00 61.52 H new ATOM 0 HB3 LYS A 640 -4.280 -17.457 -13.541 1.00 61.52 H new ATOM 0 HG2 LYS A 640 -2.871 -18.884 -15.020 1.00 44.11 H new ATOM 0 HG3 LYS A 640 -1.661 -19.005 -13.759 1.00 44.11 H new ATOM 0 HD2 LYS A 640 -2.999 -21.015 -13.687 1.00 55.31 H new ATOM 0 HD3 LYS A 640 -3.385 -20.071 -12.261 1.00 55.31 H new ATOM 0 HE2 LYS A 640 -5.365 -19.135 -13.418 1.00 23.55 H new ATOM 0 HE3 LYS A 640 -4.980 -20.082 -14.841 1.00 23.55 H new ATOM 0 HZ1 LYS A 640 -6.677 -21.129 -13.524 1.00 45.24 H new ATOM 0 HZ2 LYS A 640 -5.282 -22.096 -13.549 1.00 45.24 H new ATOM 0 HZ3 LYS A 640 -5.655 -21.178 -12.170 1.00 45.24 H new ATOM 2220 N LEU A 641 -1.816 -16.562 -16.157 1.00 75.33 N ATOM 2221 CA LEU A 641 -1.969 -16.500 -17.570 1.00 23.45 C ATOM 2222 C LEU A 641 -1.979 -17.895 -18.110 1.00 62.52 C ATOM 2223 O LEU A 641 -1.021 -18.634 -17.940 1.00 65.24 O ATOM 2224 CB LEU A 641 -0.824 -15.713 -18.186 1.00 25.22 C ATOM 2225 CG LEU A 641 -0.845 -15.568 -19.699 1.00 33.20 C ATOM 2226 CD1 LEU A 641 -2.036 -14.745 -20.149 1.00 1.24 C ATOM 2227 CD2 LEU A 641 0.445 -14.962 -20.184 1.00 11.14 C ATOM 0 H LEU A 641 -0.913 -16.921 -15.848 1.00 75.33 H new ATOM 0 HA LEU A 641 -2.904 -15.998 -17.818 1.00 23.45 H new ATOM 0 HB2 LEU A 641 -0.819 -14.716 -17.747 1.00 25.22 H new ATOM 0 HB3 LEU A 641 0.113 -16.192 -17.901 1.00 25.22 H new ATOM 0 HG LEU A 641 -0.944 -16.561 -20.138 1.00 33.20 H new ATOM 0 HD11 LEU A 641 -2.027 -14.656 -21.235 1.00 1.24 H new ATOM 0 HD12 LEU A 641 -2.957 -15.234 -19.832 1.00 1.24 H new ATOM 0 HD13 LEU A 641 -1.981 -13.752 -19.704 1.00 1.24 H new ATOM 0 HD21 LEU A 641 0.416 -14.864 -21.269 1.00 11.14 H new ATOM 0 HD22 LEU A 641 0.576 -13.978 -19.734 1.00 11.14 H new ATOM 0 HD23 LEU A 641 1.278 -15.605 -19.900 1.00 11.14 H new ATOM 2239 N GLU A 642 -3.060 -18.278 -18.676 1.00 24.34 N ATOM 2240 CA GLU A 642 -3.148 -19.555 -19.297 1.00 1.22 C ATOM 2241 C GLU A 642 -2.827 -19.393 -20.748 1.00 55.45 C ATOM 2242 O GLU A 642 -3.401 -18.542 -21.425 1.00 4.55 O ATOM 2243 CB GLU A 642 -4.514 -20.153 -19.101 1.00 2.35 C ATOM 2244 CG GLU A 642 -4.880 -20.309 -17.641 1.00 75.20 C ATOM 2245 CD GLU A 642 -6.156 -21.046 -17.454 1.00 12.13 C ATOM 2246 OE1 GLU A 642 -7.226 -20.422 -17.432 1.00 55.24 O ATOM 2247 OE2 GLU A 642 -6.111 -22.281 -17.312 1.00 30.24 O ATOM 0 H GLU A 642 -3.912 -17.720 -18.725 1.00 24.34 H new ATOM 0 HA GLU A 642 -2.435 -20.242 -18.841 1.00 1.22 H new ATOM 0 HB2 GLU A 642 -5.256 -19.523 -19.592 1.00 2.35 H new ATOM 0 HB3 GLU A 642 -4.552 -21.128 -19.587 1.00 2.35 H new ATOM 0 HG2 GLU A 642 -4.079 -20.837 -17.123 1.00 75.20 H new ATOM 0 HG3 GLU A 642 -4.962 -19.324 -17.182 1.00 75.20 H new ATOM 2254 N VAL A 643 -1.899 -20.161 -21.206 1.00 44.30 N ATOM 2255 CA VAL A 643 -1.421 -20.062 -22.562 1.00 50.14 C ATOM 2256 C VAL A 643 -1.810 -21.297 -23.321 1.00 22.11 C ATOM 2257 O VAL A 643 -1.474 -22.416 -22.931 1.00 54.30 O ATOM 2258 CB VAL A 643 0.114 -19.875 -22.622 1.00 52.31 C ATOM 2259 CG1 VAL A 643 0.587 -19.655 -24.051 1.00 35.34 C ATOM 2260 CG2 VAL A 643 0.568 -18.736 -21.721 1.00 60.30 C ATOM 0 H VAL A 643 -1.440 -20.885 -20.653 1.00 44.30 H new ATOM 0 HA VAL A 643 -1.879 -19.182 -23.014 1.00 50.14 H new ATOM 0 HB VAL A 643 0.570 -20.795 -22.255 1.00 52.31 H new ATOM 0 HG11 VAL A 643 1.669 -19.527 -24.060 1.00 35.34 H new ATOM 0 HG12 VAL A 643 0.318 -20.518 -24.660 1.00 35.34 H new ATOM 0 HG13 VAL A 643 0.112 -18.762 -24.458 1.00 35.34 H new ATOM 0 HG21 VAL A 643 1.651 -18.630 -21.786 1.00 60.30 H new ATOM 0 HG22 VAL A 643 0.093 -17.808 -22.040 1.00 60.30 H new ATOM 0 HG23 VAL A 643 0.285 -18.952 -20.691 1.00 60.30 H new ATOM 2270 N ILE A 644 -2.518 -21.096 -24.388 1.00 42.20 N ATOM 2271 CA ILE A 644 -3.003 -22.175 -25.179 1.00 30.23 C ATOM 2272 C ILE A 644 -2.247 -22.218 -26.489 1.00 3.45 C ATOM 2273 O ILE A 644 -2.093 -21.183 -27.159 1.00 1.20 O ATOM 2274 CB ILE A 644 -4.536 -22.070 -25.468 1.00 73.11 C ATOM 2275 CG1 ILE A 644 -5.364 -22.028 -24.166 1.00 73.45 C ATOM 2276 CG2 ILE A 644 -4.993 -23.246 -26.327 1.00 13.04 C ATOM 2277 CD1 ILE A 644 -5.379 -20.710 -23.430 1.00 73.22 C ATOM 0 H ILE A 644 -2.775 -20.172 -24.734 1.00 42.20 H new ATOM 0 HA ILE A 644 -2.842 -23.091 -24.610 1.00 30.23 H new ATOM 0 HB ILE A 644 -4.703 -21.136 -26.005 1.00 73.11 H new ATOM 0 HG12 ILE A 644 -6.392 -22.299 -24.405 1.00 73.45 H new ATOM 0 HG13 ILE A 644 -4.981 -22.793 -23.491 1.00 73.45 H new ATOM 0 HG21 ILE A 644 -6.062 -23.161 -26.521 1.00 13.04 H new ATOM 0 HG22 ILE A 644 -4.451 -23.238 -27.273 1.00 13.04 H new ATOM 0 HG23 ILE A 644 -4.793 -24.180 -25.802 1.00 13.04 H new ATOM 0 HD11 ILE A 644 -5.992 -20.801 -22.533 1.00 73.22 H new ATOM 0 HD12 ILE A 644 -4.361 -20.439 -23.149 1.00 73.22 H new ATOM 0 HD13 ILE A 644 -5.795 -19.937 -24.076 1.00 73.22 H new ATOM 2289 N ILE A 645 -1.756 -23.384 -26.832 1.00 2.22 N ATOM 2290 CA ILE A 645 -1.041 -23.584 -28.067 1.00 43.22 C ATOM 2291 C ILE A 645 -1.713 -24.617 -28.944 1.00 13.21 C ATOM 2292 O ILE A 645 -1.603 -25.834 -28.710 1.00 51.44 O ATOM 2293 CB ILE A 645 0.480 -23.922 -27.912 1.00 31.22 C ATOM 2294 CG1 ILE A 645 0.771 -24.988 -26.809 1.00 65.35 C ATOM 2295 CG2 ILE A 645 1.305 -22.663 -27.722 1.00 3.34 C ATOM 2296 CD1 ILE A 645 0.763 -24.475 -25.378 1.00 60.02 C ATOM 0 H ILE A 645 -1.842 -24.224 -26.259 1.00 2.22 H new ATOM 0 HA ILE A 645 -1.081 -22.608 -28.550 1.00 43.22 H new ATOM 0 HB ILE A 645 0.788 -24.386 -28.849 1.00 31.22 H new ATOM 0 HG12 ILE A 645 0.031 -25.784 -26.894 1.00 65.35 H new ATOM 0 HG13 ILE A 645 1.745 -25.435 -27.010 1.00 65.35 H new ATOM 0 HG21 ILE A 645 2.357 -22.930 -27.617 1.00 3.34 H new ATOM 0 HG22 ILE A 645 1.180 -22.012 -28.587 1.00 3.34 H new ATOM 0 HG23 ILE A 645 0.972 -22.142 -26.825 1.00 3.34 H new ATOM 0 HD11 ILE A 645 0.976 -25.298 -24.695 1.00 60.02 H new ATOM 0 HD12 ILE A 645 1.524 -23.703 -25.264 1.00 60.02 H new ATOM 0 HD13 ILE A 645 -0.217 -24.056 -25.147 1.00 60.02 H new