USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot -79:sc= 0.951 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.2) USER MOD Single : A 515 SER OG : rot 180:sc= 0.526 USER MOD Single : A 517 SER OG : rot -43:sc= 0.121 USER MOD Single : A 521 MET CE :methyl 151:sc= -4.2! (180deg=-5.21!) USER MOD Single : A 524 LYS NZ :NH3+ 175:sc=-0.00147 (180deg=-0.0349) USER MOD Single : A 528 THR OG1 : rot -117:sc= -1.04! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.028) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 545 THR OG1 : rot -32:sc= 0.355 USER MOD Single : A 557 CYS SG : rot -97:sc= 1.21 USER MOD Single : A 563 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 564 ASN : amide:sc= 0.999 K(o=1,f=-6.4!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 140:sc= 1.24 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 170:sc= -0.0028 (180deg=-0.0983) USER MOD Single : A 584 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.72) USER MOD Single : A 585 LYS NZ :NH3+ 147:sc= 0.307 (180deg=-1.56) USER MOD Single : A 586 THR OG1 : rot 31:sc= 1.17 USER MOD Single : A 639 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.75) USER MOD Single : A 640 THR OG1 : rot 44:sc= 0.323 USER MOD Single : A 641 LYS NZ :NH3+ -131:sc= 0.961 (180deg=0.0251) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.337 -13.336 -3.863 1.00 34.05 N ATOM 29 CA GLY A 503 -4.553 -12.459 -2.790 1.00 3.23 C ATOM 30 C GLY A 503 -4.495 -11.034 -3.268 1.00 15.54 C ATOM 31 O GLY A 503 -3.531 -10.642 -3.914 1.00 21.33 O ATOM 0 HA2 GLY A 503 -5.524 -12.659 -2.336 1.00 3.23 H new ATOM 0 HA3 GLY A 503 -3.800 -12.623 -2.019 1.00 3.23 H new ATOM 35 N ILE A 504 -5.536 -10.308 -3.007 1.00 65.01 N ATOM 36 CA ILE A 504 -5.647 -8.924 -3.366 1.00 15.55 C ATOM 37 C ILE A 504 -5.147 -8.075 -2.202 1.00 20.21 C ATOM 38 O ILE A 504 -5.668 -8.174 -1.089 1.00 11.34 O ATOM 39 CB ILE A 504 -7.134 -8.515 -3.687 1.00 52.20 C ATOM 40 CG1 ILE A 504 -7.726 -9.275 -4.895 1.00 1.03 C ATOM 41 CG2 ILE A 504 -7.252 -7.021 -3.916 1.00 2.24 C ATOM 42 CD1 ILE A 504 -8.188 -10.686 -4.603 1.00 75.40 C ATOM 0 H ILE A 504 -6.358 -10.670 -2.524 1.00 65.01 H new ATOM 0 HA ILE A 504 -5.050 -8.759 -4.263 1.00 15.55 H new ATOM 0 HB ILE A 504 -7.716 -8.797 -2.809 1.00 52.20 H new ATOM 0 HG12 ILE A 504 -8.571 -8.706 -5.284 1.00 1.03 H new ATOM 0 HG13 ILE A 504 -6.976 -9.311 -5.685 1.00 1.03 H new ATOM 0 HG21 ILE A 504 -8.289 -6.767 -4.136 1.00 2.24 H new ATOM 0 HG22 ILE A 504 -6.930 -6.489 -3.021 1.00 2.24 H new ATOM 0 HG23 ILE A 504 -6.622 -6.731 -4.757 1.00 2.24 H new ATOM 0 HD11 ILE A 504 -8.587 -11.134 -5.513 1.00 75.40 H new ATOM 0 HD12 ILE A 504 -7.345 -11.278 -4.246 1.00 75.40 H new ATOM 0 HD13 ILE A 504 -8.965 -10.664 -3.839 1.00 75.40 H new ATOM 54 N PHE A 505 -4.120 -7.296 -2.442 1.00 61.13 N ATOM 55 CA PHE A 505 -3.592 -6.401 -1.433 1.00 11.12 C ATOM 56 C PHE A 505 -3.596 -4.984 -1.959 1.00 40.23 C ATOM 57 O PHE A 505 -3.081 -4.709 -3.046 1.00 23.02 O ATOM 58 CB PHE A 505 -2.188 -6.837 -0.993 1.00 42.33 C ATOM 59 CG PHE A 505 -2.175 -8.200 -0.352 1.00 0.22 C ATOM 60 CD1 PHE A 505 -2.530 -8.356 0.977 1.00 31.33 C ATOM 61 CD2 PHE A 505 -1.840 -9.325 -1.088 1.00 64.41 C ATOM 62 CE1 PHE A 505 -2.543 -9.608 1.561 1.00 0.43 C ATOM 63 CE2 PHE A 505 -1.855 -10.578 -0.511 1.00 50.14 C ATOM 64 CZ PHE A 505 -2.206 -10.720 0.816 1.00 25.24 C ATOM 0 H PHE A 505 -3.628 -7.262 -3.335 1.00 61.13 H new ATOM 0 HA PHE A 505 -4.230 -6.442 -0.550 1.00 11.12 H new ATOM 0 HB2 PHE A 505 -1.526 -6.841 -1.859 1.00 42.33 H new ATOM 0 HB3 PHE A 505 -1.789 -6.106 -0.290 1.00 42.33 H new ATOM 0 HD1 PHE A 505 -2.800 -7.490 1.563 1.00 31.33 H new ATOM 0 HD2 PHE A 505 -1.564 -9.220 -2.127 1.00 64.41 H new ATOM 0 HE1 PHE A 505 -2.817 -9.717 2.600 1.00 0.43 H new ATOM 0 HE2 PHE A 505 -1.592 -11.446 -1.097 1.00 50.14 H new ATOM 0 HZ PHE A 505 -2.217 -11.699 1.271 1.00 25.24 H new ATOM 74 N THR A 506 -4.204 -4.098 -1.217 1.00 52.54 N ATOM 75 CA THR A 506 -4.340 -2.726 -1.607 1.00 52.14 C ATOM 76 C THR A 506 -4.462 -1.875 -0.349 1.00 2.12 C ATOM 77 O THR A 506 -4.672 -2.412 0.746 1.00 71.11 O ATOM 78 CB THR A 506 -5.618 -2.537 -2.517 1.00 31.41 C ATOM 79 OG1 THR A 506 -5.750 -1.174 -2.979 1.00 71.31 O ATOM 80 CG2 THR A 506 -6.900 -2.955 -1.794 1.00 53.21 C ATOM 0 H THR A 506 -4.623 -4.315 -0.313 1.00 52.54 H new ATOM 0 HA THR A 506 -3.466 -2.418 -2.181 1.00 52.14 H new ATOM 0 HB THR A 506 -5.475 -3.188 -3.379 1.00 31.41 H new ATOM 0 HG1 THR A 506 -6.121 -0.620 -2.261 1.00 71.31 H new ATOM 0 HG21 THR A 506 -7.754 -2.809 -2.455 1.00 53.21 H new ATOM 0 HG22 THR A 506 -6.833 -4.006 -1.514 1.00 53.21 H new ATOM 0 HG23 THR A 506 -7.027 -2.348 -0.898 1.00 53.21 H new ATOM 88 N PHE A 507 -4.294 -0.583 -0.495 1.00 14.30 N ATOM 89 CA PHE A 507 -4.529 0.334 0.594 1.00 24.44 C ATOM 90 C PHE A 507 -5.980 0.737 0.533 1.00 34.34 C ATOM 91 O PHE A 507 -6.636 0.528 -0.511 1.00 61.24 O ATOM 92 CB PHE A 507 -3.643 1.577 0.477 1.00 64.11 C ATOM 93 CG PHE A 507 -2.174 1.318 0.627 1.00 61.44 C ATOM 94 CD1 PHE A 507 -1.609 1.208 1.886 1.00 73.45 C ATOM 95 CD2 PHE A 507 -1.357 1.202 -0.482 1.00 60.11 C ATOM 96 CE1 PHE A 507 -0.260 0.986 2.037 1.00 52.21 C ATOM 97 CE2 PHE A 507 -0.003 0.976 -0.339 1.00 43.23 C ATOM 98 CZ PHE A 507 0.546 0.869 0.923 1.00 22.54 C ATOM 0 H PHE A 507 -3.993 -0.141 -1.363 1.00 14.30 H new ATOM 0 HA PHE A 507 -4.289 -0.148 1.541 1.00 24.44 H new ATOM 0 HB2 PHE A 507 -3.819 2.041 -0.493 1.00 64.11 H new ATOM 0 HB3 PHE A 507 -3.950 2.297 1.235 1.00 64.11 H new ATOM 0 HD1 PHE A 507 -2.236 1.298 2.761 1.00 73.45 H new ATOM 0 HD2 PHE A 507 -1.783 1.289 -1.471 1.00 60.11 H new ATOM 0 HE1 PHE A 507 0.168 0.903 3.025 1.00 52.21 H new ATOM 0 HE2 PHE A 507 0.625 0.883 -1.212 1.00 43.23 H new ATOM 0 HZ PHE A 507 1.605 0.694 1.038 1.00 22.54 H new ATOM 108 N GLU A 508 -6.498 1.277 1.604 1.00 75.32 N ATOM 109 CA GLU A 508 -7.872 1.712 1.624 1.00 13.21 C ATOM 110 C GLU A 508 -7.872 3.146 1.126 1.00 0.11 C ATOM 111 O GLU A 508 -8.689 3.548 0.292 1.00 13.23 O ATOM 112 CB GLU A 508 -8.416 1.646 3.055 1.00 64.32 C ATOM 113 CG GLU A 508 -9.875 1.225 3.174 1.00 41.31 C ATOM 114 CD GLU A 508 -10.818 2.052 2.348 1.00 51.24 C ATOM 115 OE1 GLU A 508 -10.982 3.261 2.633 1.00 43.21 O ATOM 116 OE2 GLU A 508 -11.449 1.494 1.428 1.00 51.54 O ATOM 0 H GLU A 508 -5.990 1.427 2.476 1.00 75.32 H new ATOM 0 HA GLU A 508 -8.503 1.079 1.000 1.00 13.21 H new ATOM 0 HB2 GLU A 508 -7.805 0.948 3.627 1.00 64.32 H new ATOM 0 HB3 GLU A 508 -8.298 2.626 3.517 1.00 64.32 H new ATOM 0 HG2 GLU A 508 -9.967 0.181 2.875 1.00 41.31 H new ATOM 0 HG3 GLU A 508 -10.176 1.285 4.220 1.00 41.31 H new ATOM 123 N GLU A 509 -6.936 3.893 1.633 1.00 44.22 N ATOM 124 CA GLU A 509 -6.717 5.244 1.253 1.00 61.02 C ATOM 125 C GLU A 509 -5.473 5.330 0.369 1.00 41.11 C ATOM 126 O GLU A 509 -4.462 4.708 0.656 1.00 12.02 O ATOM 127 CB GLU A 509 -6.552 6.165 2.491 1.00 3.53 C ATOM 128 CG GLU A 509 -5.424 5.783 3.470 1.00 34.30 C ATOM 129 CD GLU A 509 -5.774 4.628 4.402 1.00 65.54 C ATOM 130 OE1 GLU A 509 -5.757 3.455 3.978 1.00 65.54 O ATOM 131 OE2 GLU A 509 -6.079 4.893 5.585 1.00 5.33 O ATOM 0 H GLU A 509 -6.286 3.561 2.346 1.00 44.22 H new ATOM 0 HA GLU A 509 -7.590 5.587 0.698 1.00 61.02 H new ATOM 0 HB2 GLU A 509 -6.374 7.182 2.142 1.00 3.53 H new ATOM 0 HB3 GLU A 509 -7.494 6.176 3.039 1.00 3.53 H new ATOM 0 HG2 GLU A 509 -4.535 5.518 2.898 1.00 34.30 H new ATOM 0 HG3 GLU A 509 -5.168 6.656 4.071 1.00 34.30 H new ATOM 138 N PRO A 510 -5.546 6.054 -0.749 1.00 1.51 N ATOM 139 CA PRO A 510 -4.382 6.276 -1.604 1.00 71.53 C ATOM 140 C PRO A 510 -3.591 7.496 -1.138 1.00 12.42 C ATOM 141 O PRO A 510 -2.487 7.743 -1.591 1.00 2.21 O ATOM 142 CB PRO A 510 -5.014 6.550 -2.970 1.00 65.21 C ATOM 143 CG PRO A 510 -6.328 7.192 -2.662 1.00 62.15 C ATOM 144 CD PRO A 510 -6.771 6.662 -1.313 1.00 63.32 C ATOM 0 HA PRO A 510 -3.682 5.440 -1.601 1.00 71.53 H new ATOM 0 HB2 PRO A 510 -4.385 7.206 -3.572 1.00 65.21 H new ATOM 0 HB3 PRO A 510 -5.147 5.628 -3.536 1.00 65.21 H new ATOM 0 HG2 PRO A 510 -6.231 8.277 -2.638 1.00 62.15 H new ATOM 0 HG3 PRO A 510 -7.063 6.955 -3.431 1.00 62.15 H new ATOM 0 HD2 PRO A 510 -7.151 7.460 -0.675 1.00 63.32 H new ATOM 0 HD3 PRO A 510 -7.570 5.928 -1.415 1.00 63.32 H new ATOM 152 N VAL A 511 -4.185 8.246 -0.225 1.00 14.43 N ATOM 153 CA VAL A 511 -3.637 9.479 0.304 1.00 51.11 C ATOM 154 C VAL A 511 -3.966 9.555 1.779 1.00 33.22 C ATOM 155 O VAL A 511 -5.066 9.172 2.191 1.00 51.15 O ATOM 156 CB VAL A 511 -4.258 10.740 -0.414 1.00 62.14 C ATOM 157 CG1 VAL A 511 -3.794 12.037 0.215 1.00 42.03 C ATOM 158 CG2 VAL A 511 -3.946 10.754 -1.897 1.00 31.33 C ATOM 0 H VAL A 511 -5.090 8.004 0.179 1.00 14.43 H new ATOM 0 HA VAL A 511 -2.560 9.481 0.135 1.00 51.11 H new ATOM 0 HB VAL A 511 -5.337 10.660 -0.285 1.00 62.14 H new ATOM 0 HG11 VAL A 511 -4.246 12.878 -0.311 1.00 42.03 H new ATOM 0 HG12 VAL A 511 -4.093 12.061 1.263 1.00 42.03 H new ATOM 0 HG13 VAL A 511 -2.708 12.107 0.146 1.00 42.03 H new ATOM 0 HG21 VAL A 511 -4.391 11.638 -2.354 1.00 31.33 H new ATOM 0 HG22 VAL A 511 -2.866 10.776 -2.041 1.00 31.33 H new ATOM 0 HG23 VAL A 511 -4.356 9.858 -2.364 1.00 31.33 H new ATOM 168 N THR A 512 -3.026 9.994 2.560 1.00 41.00 N ATOM 169 CA THR A 512 -3.241 10.226 3.947 1.00 20.52 C ATOM 170 C THR A 512 -2.457 11.497 4.338 1.00 44.14 C ATOM 171 O THR A 512 -1.375 11.759 3.788 1.00 11.33 O ATOM 172 CB THR A 512 -2.819 8.978 4.812 1.00 30.14 C ATOM 173 OG1 THR A 512 -3.290 9.109 6.160 1.00 4.02 O ATOM 174 CG2 THR A 512 -1.311 8.787 4.834 1.00 74.13 C ATOM 0 H THR A 512 -2.079 10.202 2.244 1.00 41.00 H new ATOM 0 HA THR A 512 -4.302 10.377 4.145 1.00 20.52 H new ATOM 0 HB THR A 512 -3.275 8.105 4.345 1.00 30.14 H new ATOM 0 HG1 THR A 512 -3.019 8.323 6.679 1.00 4.02 H new ATOM 0 HG21 THR A 512 -1.063 7.916 5.441 1.00 74.13 H new ATOM 0 HG22 THR A 512 -0.949 8.635 3.817 1.00 74.13 H new ATOM 0 HG23 THR A 512 -0.838 9.672 5.259 1.00 74.13 H new ATOM 182 N HIS A 513 -3.025 12.308 5.194 1.00 41.30 N ATOM 183 CA HIS A 513 -2.376 13.513 5.674 1.00 43.22 C ATOM 184 C HIS A 513 -1.984 13.332 7.105 1.00 33.42 C ATOM 185 O HIS A 513 -2.796 12.901 7.935 1.00 21.22 O ATOM 186 CB HIS A 513 -3.268 14.751 5.524 1.00 11.22 C ATOM 187 CG HIS A 513 -3.387 15.253 4.124 1.00 21.42 C ATOM 188 ND1 HIS A 513 -2.802 16.415 3.692 1.00 50.43 N ATOM 189 CD2 HIS A 513 -4.029 14.734 3.049 1.00 11.04 C ATOM 190 CE1 HIS A 513 -3.086 16.569 2.404 1.00 25.40 C ATOM 191 NE2 HIS A 513 -3.835 15.574 1.957 1.00 70.24 N ATOM 0 H HIS A 513 -3.955 12.155 5.583 1.00 41.30 H new ATOM 0 HA HIS A 513 -1.489 13.680 5.063 1.00 43.22 H new ATOM 0 HB2 HIS A 513 -4.264 14.515 5.899 1.00 11.22 H new ATOM 0 HB3 HIS A 513 -2.871 15.549 6.152 1.00 11.22 H new ATOM 0 HD2 HIS A 513 -4.599 13.817 3.041 1.00 11.04 H new ATOM 0 HE1 HIS A 513 -2.749 17.399 1.800 1.00 25.40 H new ATOM 0 HE2 HIS A 513 -4.195 15.449 1.011 1.00 70.24 H new ATOM 199 N VAL A 514 -0.762 13.637 7.412 1.00 33.42 N ATOM 200 CA VAL A 514 -0.260 13.426 8.748 1.00 10.02 C ATOM 201 C VAL A 514 0.382 14.682 9.266 1.00 11.12 C ATOM 202 O VAL A 514 0.693 15.608 8.493 1.00 34.44 O ATOM 203 CB VAL A 514 0.765 12.239 8.823 1.00 3.22 C ATOM 204 CG1 VAL A 514 0.149 10.934 8.334 1.00 70.24 C ATOM 205 CG2 VAL A 514 2.033 12.546 8.040 1.00 2.22 C ATOM 0 H VAL A 514 -0.086 14.034 6.759 1.00 33.42 H new ATOM 0 HA VAL A 514 -1.115 13.162 9.371 1.00 10.02 H new ATOM 0 HB VAL A 514 1.031 12.119 9.873 1.00 3.22 H new ATOM 0 HG11 VAL A 514 0.888 10.135 8.401 1.00 70.24 H new ATOM 0 HG12 VAL A 514 -0.712 10.684 8.953 1.00 70.24 H new ATOM 0 HG13 VAL A 514 -0.170 11.048 7.298 1.00 70.24 H new ATOM 0 HG21 VAL A 514 2.720 11.703 8.114 1.00 2.22 H new ATOM 0 HG22 VAL A 514 1.782 12.718 6.993 1.00 2.22 H new ATOM 0 HG23 VAL A 514 2.507 13.437 8.451 1.00 2.22 H new ATOM 215 N SER A 515 0.549 14.735 10.550 1.00 40.21 N ATOM 216 CA SER A 515 1.219 15.824 11.172 1.00 71.14 C ATOM 217 C SER A 515 2.703 15.563 11.119 1.00 11.43 C ATOM 218 O SER A 515 3.137 14.427 10.987 1.00 31.24 O ATOM 219 CB SER A 515 0.773 15.939 12.630 1.00 55.51 C ATOM 220 OG SER A 515 1.438 17.004 13.309 1.00 52.04 O ATOM 0 H SER A 515 0.221 14.018 11.197 1.00 40.21 H new ATOM 0 HA SER A 515 0.981 16.753 10.655 1.00 71.14 H new ATOM 0 HB2 SER A 515 -0.304 16.101 12.668 1.00 55.51 H new ATOM 0 HB3 SER A 515 0.972 15.000 13.146 1.00 55.51 H new ATOM 0 HG SER A 515 1.125 17.046 14.237 1.00 52.04 H new ATOM 226 N GLU A 516 3.471 16.590 11.197 1.00 13.11 N ATOM 227 CA GLU A 516 4.883 16.449 11.270 1.00 14.45 C ATOM 228 C GLU A 516 5.312 16.321 12.731 1.00 34.33 C ATOM 229 O GLU A 516 6.470 16.041 13.052 1.00 31.42 O ATOM 230 CB GLU A 516 5.557 17.601 10.559 1.00 32.41 C ATOM 231 CG GLU A 516 7.053 17.515 10.513 1.00 20.11 C ATOM 232 CD GLU A 516 7.601 18.438 9.522 1.00 65.42 C ATOM 233 OE1 GLU A 516 7.745 18.089 8.393 1.00 60.14 O ATOM 234 OE2 GLU A 516 7.906 19.575 9.784 1.00 62.51 O ATOM 0 H GLU A 516 3.139 17.554 11.212 1.00 13.11 H new ATOM 0 HA GLU A 516 5.196 15.538 10.761 1.00 14.45 H new ATOM 0 HB2 GLU A 516 5.177 17.653 9.539 1.00 32.41 H new ATOM 0 HB3 GLU A 516 5.274 18.531 11.052 1.00 32.41 H new ATOM 0 HG2 GLU A 516 7.464 17.745 11.496 1.00 20.11 H new ATOM 0 HG3 GLU A 516 7.355 16.496 10.272 1.00 20.11 H new ATOM 241 N SER A 517 4.370 16.499 13.625 1.00 12.14 N ATOM 242 CA SER A 517 4.670 16.388 15.017 1.00 60.11 C ATOM 243 C SER A 517 4.297 14.984 15.488 1.00 21.25 C ATOM 244 O SER A 517 4.380 14.660 16.668 1.00 75.51 O ATOM 245 CB SER A 517 3.924 17.461 15.815 1.00 15.01 C ATOM 246 OG SER A 517 4.430 17.578 17.136 1.00 64.43 O ATOM 0 H SER A 517 3.398 16.720 13.408 1.00 12.14 H new ATOM 0 HA SER A 517 5.736 16.547 15.181 1.00 60.11 H new ATOM 0 HB2 SER A 517 4.011 18.420 15.305 1.00 15.01 H new ATOM 0 HB3 SER A 517 2.863 17.215 15.852 1.00 15.01 H new ATOM 0 HG SER A 517 4.579 16.684 17.510 1.00 64.43 H new ATOM 252 N ILE A 518 3.920 14.148 14.548 1.00 54.02 N ATOM 253 CA ILE A 518 3.519 12.815 14.860 1.00 43.31 C ATOM 254 C ILE A 518 4.765 11.934 14.936 1.00 42.11 C ATOM 255 O ILE A 518 5.789 12.234 14.297 1.00 31.41 O ATOM 256 CB ILE A 518 2.521 12.280 13.797 1.00 15.24 C ATOM 257 CG1 ILE A 518 1.708 11.133 14.361 1.00 51.13 C ATOM 258 CG2 ILE A 518 3.235 11.827 12.522 1.00 55.03 C ATOM 259 CD1 ILE A 518 0.616 10.714 13.438 1.00 41.13 C ATOM 0 H ILE A 518 3.886 14.380 13.555 1.00 54.02 H new ATOM 0 HA ILE A 518 3.007 12.800 15.822 1.00 43.31 H new ATOM 0 HB ILE A 518 1.856 13.104 13.537 1.00 15.24 H new ATOM 0 HG12 ILE A 518 2.364 10.285 14.554 1.00 51.13 H new ATOM 0 HG13 ILE A 518 1.279 11.429 15.318 1.00 51.13 H new ATOM 0 HG21 ILE A 518 2.501 11.460 11.805 1.00 55.03 H new ATOM 0 HG22 ILE A 518 3.776 12.669 12.089 1.00 55.03 H new ATOM 0 HG23 ILE A 518 3.938 11.029 12.762 1.00 55.03 H new ATOM 0 HD11 ILE A 518 0.060 9.889 13.883 1.00 41.13 H new ATOM 0 HD12 ILE A 518 -0.057 11.554 13.265 1.00 41.13 H new ATOM 0 HD13 ILE A 518 1.045 10.392 12.489 1.00 41.13 H new ATOM 271 N GLY A 519 4.708 10.911 15.728 1.00 53.51 N ATOM 272 CA GLY A 519 5.823 10.031 15.850 1.00 72.21 C ATOM 273 C GLY A 519 5.748 8.928 14.850 1.00 75.40 C ATOM 274 O GLY A 519 6.587 8.820 13.956 1.00 33.33 O ATOM 0 H GLY A 519 3.900 10.665 16.300 1.00 53.51 H new ATOM 0 HA2 GLY A 519 6.748 10.590 15.711 1.00 72.21 H new ATOM 0 HA3 GLY A 519 5.852 9.613 16.856 1.00 72.21 H new ATOM 278 N ILE A 520 4.729 8.127 14.979 1.00 40.51 N ATOM 279 CA ILE A 520 4.513 7.003 14.115 1.00 44.11 C ATOM 280 C ILE A 520 3.150 7.114 13.477 1.00 41.42 C ATOM 281 O ILE A 520 2.142 7.269 14.172 1.00 21.34 O ATOM 282 CB ILE A 520 4.600 5.648 14.903 1.00 35.22 C ATOM 283 CG1 ILE A 520 6.024 5.375 15.415 1.00 40.54 C ATOM 284 CG2 ILE A 520 4.097 4.467 14.069 1.00 32.41 C ATOM 285 CD1 ILE A 520 7.053 5.192 14.317 1.00 14.34 C ATOM 0 H ILE A 520 4.015 8.239 15.698 1.00 40.51 H new ATOM 0 HA ILE A 520 5.292 7.009 13.353 1.00 44.11 H new ATOM 0 HB ILE A 520 3.944 5.752 15.767 1.00 35.22 H new ATOM 0 HG12 ILE A 520 6.334 6.202 16.054 1.00 40.54 H new ATOM 0 HG13 ILE A 520 6.009 4.480 16.037 1.00 40.54 H new ATOM 0 HG21 ILE A 520 4.175 3.550 14.653 1.00 32.41 H new ATOM 0 HG22 ILE A 520 3.056 4.634 13.793 1.00 32.41 H new ATOM 0 HG23 ILE A 520 4.701 4.375 13.167 1.00 32.41 H new ATOM 0 HD11 ILE A 520 8.030 5.004 14.762 1.00 14.34 H new ATOM 0 HD12 ILE A 520 6.770 4.346 13.691 1.00 14.34 H new ATOM 0 HD13 ILE A 520 7.099 6.095 13.708 1.00 14.34 H new ATOM 297 N MET A 521 3.116 7.085 12.179 1.00 64.10 N ATOM 298 CA MET A 521 1.860 7.025 11.486 1.00 44.54 C ATOM 299 C MET A 521 1.663 5.603 11.021 1.00 14.34 C ATOM 300 O MET A 521 2.628 4.953 10.587 1.00 44.42 O ATOM 301 CB MET A 521 1.734 8.095 10.349 1.00 60.40 C ATOM 302 CG MET A 521 2.680 7.996 9.137 1.00 60.14 C ATOM 303 SD MET A 521 2.206 6.726 7.936 1.00 62.34 S ATOM 304 CE MET A 521 3.296 7.118 6.565 1.00 53.35 C ATOM 0 H MET A 521 3.940 7.102 11.578 1.00 64.10 H new ATOM 0 HA MET A 521 1.047 7.291 12.161 1.00 44.54 H new ATOM 0 HB2 MET A 521 0.711 8.061 9.974 1.00 60.40 H new ATOM 0 HB3 MET A 521 1.876 9.077 10.801 1.00 60.40 H new ATOM 0 HG2 MET A 521 2.713 8.963 8.635 1.00 60.14 H new ATOM 0 HG3 MET A 521 3.689 7.787 9.492 1.00 60.14 H new ATOM 0 HE1 MET A 521 3.515 6.210 6.003 1.00 53.35 H new ATOM 0 HE2 MET A 521 2.811 7.842 5.910 1.00 53.35 H new ATOM 0 HE3 MET A 521 4.225 7.540 6.948 1.00 53.35 H new ATOM 314 N GLU A 522 0.472 5.092 11.207 1.00 14.01 N ATOM 315 CA GLU A 522 0.154 3.731 10.858 1.00 41.03 C ATOM 316 C GLU A 522 -0.960 3.687 9.864 1.00 23.23 C ATOM 317 O GLU A 522 -1.981 4.360 10.028 1.00 25.13 O ATOM 318 CB GLU A 522 -0.231 2.899 12.080 1.00 24.21 C ATOM 319 CG GLU A 522 0.915 2.529 12.989 1.00 54.45 C ATOM 320 CD GLU A 522 0.465 1.669 14.138 1.00 34.51 C ATOM 321 OE1 GLU A 522 0.077 2.216 15.186 1.00 2.11 O ATOM 322 OE2 GLU A 522 0.485 0.419 14.010 1.00 44.20 O ATOM 0 H GLU A 522 -0.309 5.612 11.607 1.00 14.01 H new ATOM 0 HA GLU A 522 1.055 3.301 10.421 1.00 41.03 H new ATOM 0 HB2 GLU A 522 -0.970 3.453 12.659 1.00 24.21 H new ATOM 0 HB3 GLU A 522 -0.714 1.983 11.739 1.00 24.21 H new ATOM 0 HG2 GLU A 522 1.676 2.000 12.416 1.00 54.45 H new ATOM 0 HG3 GLU A 522 1.380 3.436 13.375 1.00 54.45 H new ATOM 329 N VAL A 523 -0.762 2.914 8.841 1.00 43.04 N ATOM 330 CA VAL A 523 -1.748 2.739 7.808 1.00 1.41 C ATOM 331 C VAL A 523 -2.264 1.317 7.859 1.00 64.41 C ATOM 332 O VAL A 523 -1.476 0.368 7.802 1.00 35.31 O ATOM 333 CB VAL A 523 -1.139 3.015 6.420 1.00 61.22 C ATOM 334 CG1 VAL A 523 -2.207 2.984 5.326 1.00 71.21 C ATOM 335 CG2 VAL A 523 -0.413 4.341 6.432 1.00 33.33 C ATOM 0 H VAL A 523 0.095 2.380 8.694 1.00 43.04 H new ATOM 0 HA VAL A 523 -2.564 3.443 7.973 1.00 1.41 H new ATOM 0 HB VAL A 523 -0.423 2.224 6.194 1.00 61.22 H new ATOM 0 HG11 VAL A 523 -1.744 3.183 4.360 1.00 71.21 H new ATOM 0 HG12 VAL A 523 -2.680 2.002 5.307 1.00 71.21 H new ATOM 0 HG13 VAL A 523 -2.960 3.745 5.531 1.00 71.21 H new ATOM 0 HG21 VAL A 523 0.015 4.530 5.448 1.00 33.33 H new ATOM 0 HG22 VAL A 523 -1.114 5.137 6.682 1.00 33.33 H new ATOM 0 HG23 VAL A 523 0.384 4.313 7.175 1.00 33.33 H new ATOM 345 N LYS A 524 -3.562 1.181 8.004 1.00 55.21 N ATOM 346 CA LYS A 524 -4.228 -0.103 8.069 1.00 61.45 C ATOM 347 C LYS A 524 -4.405 -0.676 6.681 1.00 22.21 C ATOM 348 O LYS A 524 -5.012 -0.058 5.806 1.00 41.14 O ATOM 349 CB LYS A 524 -5.586 0.045 8.753 1.00 0.30 C ATOM 350 CG LYS A 524 -5.507 0.319 10.244 1.00 64.54 C ATOM 351 CD LYS A 524 -5.223 -0.955 11.013 1.00 65.41 C ATOM 352 CE LYS A 524 -5.071 -0.737 12.507 1.00 23.22 C ATOM 353 NZ LYS A 524 -6.274 -0.131 13.130 1.00 13.13 N ATOM 0 H LYS A 524 -4.198 1.974 8.082 1.00 55.21 H new ATOM 0 HA LYS A 524 -3.611 -0.787 8.652 1.00 61.45 H new ATOM 0 HB2 LYS A 524 -6.134 0.857 8.275 1.00 0.30 H new ATOM 0 HB3 LYS A 524 -6.162 -0.866 8.593 1.00 0.30 H new ATOM 0 HG2 LYS A 524 -4.724 1.051 10.442 1.00 64.54 H new ATOM 0 HG3 LYS A 524 -6.445 0.755 10.588 1.00 64.54 H new ATOM 0 HD2 LYS A 524 -6.032 -1.664 10.837 1.00 65.41 H new ATOM 0 HD3 LYS A 524 -4.311 -1.409 10.625 1.00 65.41 H new ATOM 0 HE2 LYS A 524 -4.861 -1.692 12.988 1.00 23.22 H new ATOM 0 HE3 LYS A 524 -4.211 -0.093 12.689 1.00 23.22 H new ATOM 0 HZ1 LYS A 524 -6.145 -0.084 14.161 1.00 13.13 H new ATOM 0 HZ2 LYS A 524 -6.413 0.829 12.754 1.00 13.13 H new ATOM 0 HZ3 LYS A 524 -7.108 -0.712 12.912 1.00 13.13 H new ATOM 367 N VAL A 525 -3.885 -1.836 6.493 1.00 71.52 N ATOM 368 CA VAL A 525 -3.951 -2.509 5.201 1.00 0.11 C ATOM 369 C VAL A 525 -5.048 -3.562 5.243 1.00 14.42 C ATOM 370 O VAL A 525 -5.348 -4.103 6.311 1.00 32.32 O ATOM 371 CB VAL A 525 -2.592 -3.176 4.836 1.00 23.35 C ATOM 372 CG1 VAL A 525 -2.581 -3.725 3.403 1.00 72.11 C ATOM 373 CG2 VAL A 525 -1.459 -2.198 5.024 1.00 63.30 C ATOM 0 H VAL A 525 -3.397 -2.364 7.217 1.00 71.52 H new ATOM 0 HA VAL A 525 -4.173 -1.766 4.435 1.00 0.11 H new ATOM 0 HB VAL A 525 -2.458 -4.021 5.511 1.00 23.35 H new ATOM 0 HG11 VAL A 525 -1.613 -4.180 3.195 1.00 72.11 H new ATOM 0 HG12 VAL A 525 -3.365 -4.474 3.294 1.00 72.11 H new ATOM 0 HG13 VAL A 525 -2.757 -2.911 2.700 1.00 72.11 H new ATOM 0 HG21 VAL A 525 -0.516 -2.679 4.765 1.00 63.30 H new ATOM 0 HG22 VAL A 525 -1.614 -1.333 4.379 1.00 63.30 H new ATOM 0 HG23 VAL A 525 -1.427 -1.874 6.064 1.00 63.30 H new ATOM 383 N LEU A 526 -5.641 -3.838 4.109 1.00 21.23 N ATOM 384 CA LEU A 526 -6.714 -4.797 4.015 1.00 44.54 C ATOM 385 C LEU A 526 -6.141 -6.139 3.606 1.00 71.12 C ATOM 386 O LEU A 526 -5.073 -6.201 2.983 1.00 10.10 O ATOM 387 CB LEU A 526 -7.766 -4.378 2.948 1.00 61.15 C ATOM 388 CG LEU A 526 -8.457 -3.001 3.079 1.00 14.04 C ATOM 389 CD1 LEU A 526 -9.064 -2.793 4.451 1.00 41.34 C ATOM 390 CD2 LEU A 526 -7.530 -1.862 2.700 1.00 32.22 C ATOM 0 H LEU A 526 -5.392 -3.402 3.221 1.00 21.23 H new ATOM 0 HA LEU A 526 -7.202 -4.850 4.988 1.00 44.54 H new ATOM 0 HB2 LEU A 526 -7.278 -4.410 1.974 1.00 61.15 H new ATOM 0 HB3 LEU A 526 -8.547 -5.139 2.939 1.00 61.15 H new ATOM 0 HG LEU A 526 -9.280 -2.998 2.364 1.00 14.04 H new ATOM 0 HD11 LEU A 526 -9.538 -1.812 4.494 1.00 41.34 H new ATOM 0 HD12 LEU A 526 -9.810 -3.565 4.640 1.00 41.34 H new ATOM 0 HD13 LEU A 526 -8.282 -2.852 5.208 1.00 41.34 H new ATOM 0 HD21 LEU A 526 -8.056 -0.914 2.807 1.00 32.22 H new ATOM 0 HD22 LEU A 526 -6.659 -1.869 3.355 1.00 32.22 H new ATOM 0 HD23 LEU A 526 -7.208 -1.984 1.666 1.00 32.22 H new ATOM 402 N ARG A 527 -6.811 -7.200 3.974 1.00 73.34 N ATOM 403 CA ARG A 527 -6.430 -8.506 3.510 1.00 34.55 C ATOM 404 C ARG A 527 -7.219 -8.863 2.286 1.00 20.12 C ATOM 405 O ARG A 527 -8.111 -8.130 1.868 1.00 73.13 O ATOM 406 CB ARG A 527 -6.613 -9.612 4.552 1.00 33.31 C ATOM 407 CG ARG A 527 -5.589 -9.637 5.658 1.00 70.24 C ATOM 408 CD ARG A 527 -5.679 -10.940 6.435 1.00 4.24 C ATOM 409 NE ARG A 527 -7.009 -11.160 7.021 1.00 72.23 N ATOM 410 CZ ARG A 527 -7.438 -12.318 7.552 1.00 15.51 C ATOM 411 NH1 ARG A 527 -6.588 -13.327 7.749 1.00 23.20 N ATOM 412 NH2 ARG A 527 -8.699 -12.434 7.943 1.00 61.23 N ATOM 0 H ARG A 527 -7.622 -7.184 4.593 1.00 73.34 H new ATOM 0 HA ARG A 527 -5.364 -8.445 3.291 1.00 34.55 H new ATOM 0 HB2 ARG A 527 -7.602 -9.507 4.998 1.00 33.31 H new ATOM 0 HB3 ARG A 527 -6.595 -10.575 4.041 1.00 33.31 H new ATOM 0 HG2 ARG A 527 -4.589 -9.525 5.239 1.00 70.24 H new ATOM 0 HG3 ARG A 527 -5.750 -8.794 6.330 1.00 70.24 H new ATOM 0 HD2 ARG A 527 -5.436 -11.771 5.773 1.00 4.24 H new ATOM 0 HD3 ARG A 527 -4.932 -10.937 7.229 1.00 4.24 H new ATOM 0 HE ARG A 527 -7.657 -10.372 7.025 1.00 72.23 H new ATOM 0 HH11 ARG A 527 -5.605 -13.223 7.496 1.00 23.20 H new ATOM 0 HH12 ARG A 527 -6.921 -14.203 8.152 1.00 23.20 H new ATOM 0 HH21 ARG A 527 -9.339 -11.647 7.840 1.00 61.23 H new ATOM 0 HH22 ARG A 527 -9.029 -13.311 8.346 1.00 61.23 H new ATOM 426 N THR A 528 -6.910 -9.992 1.747 1.00 21.45 N ATOM 427 CA THR A 528 -7.558 -10.480 0.592 1.00 74.02 C ATOM 428 C THR A 528 -8.797 -11.273 0.980 1.00 75.14 C ATOM 429 O THR A 528 -8.959 -11.672 2.148 1.00 42.34 O ATOM 430 CB THR A 528 -6.585 -11.345 -0.239 1.00 40.01 C ATOM 431 OG1 THR A 528 -7.211 -11.797 -1.443 1.00 54.01 O ATOM 432 CG2 THR A 528 -6.056 -12.534 0.556 1.00 11.34 C ATOM 0 H THR A 528 -6.184 -10.610 2.109 1.00 21.45 H new ATOM 0 HA THR A 528 -7.873 -9.636 -0.022 1.00 74.02 H new ATOM 0 HB THR A 528 -5.735 -10.713 -0.496 1.00 40.01 H new ATOM 0 HG1 THR A 528 -7.266 -12.775 -1.436 1.00 54.01 H new ATOM 0 HG21 THR A 528 -5.376 -13.115 -0.067 1.00 11.34 H new ATOM 0 HG22 THR A 528 -5.524 -12.175 1.437 1.00 11.34 H new ATOM 0 HG23 THR A 528 -6.890 -13.164 0.867 1.00 11.34 H new ATOM 440 N SER A 529 -9.647 -11.498 0.004 1.00 51.11 N ATOM 441 CA SER A 529 -10.864 -12.232 0.167 1.00 12.14 C ATOM 442 C SER A 529 -10.520 -13.673 0.567 1.00 64.45 C ATOM 443 O SER A 529 -11.118 -14.249 1.481 1.00 70.21 O ATOM 444 CB SER A 529 -11.618 -12.194 -1.168 1.00 23.33 C ATOM 445 OG SER A 529 -12.958 -12.688 -1.056 1.00 0.12 O ATOM 0 H SER A 529 -9.499 -11.163 -0.948 1.00 51.11 H new ATOM 0 HA SER A 529 -11.492 -11.800 0.946 1.00 12.14 H new ATOM 0 HB2 SER A 529 -11.642 -11.169 -1.539 1.00 23.33 H new ATOM 0 HB3 SER A 529 -11.076 -12.787 -1.905 1.00 23.33 H new ATOM 0 HG SER A 529 -13.398 -12.642 -1.931 1.00 0.12 H new ATOM 451 N GLY A 530 -9.528 -14.221 -0.084 1.00 21.34 N ATOM 452 CA GLY A 530 -9.098 -15.557 0.210 1.00 41.25 C ATOM 453 C GLY A 530 -7.869 -15.543 1.069 1.00 31.04 C ATOM 454 O GLY A 530 -6.785 -15.894 0.620 1.00 22.30 O ATOM 0 H GLY A 530 -9.002 -13.758 -0.825 1.00 21.34 H new ATOM 0 HA2 GLY A 530 -9.897 -16.097 0.718 1.00 41.25 H new ATOM 0 HA3 GLY A 530 -8.893 -16.090 -0.718 1.00 41.25 H new ATOM 458 N ALA A 531 -8.014 -15.089 2.297 1.00 75.42 N ATOM 459 CA ALA A 531 -6.887 -15.033 3.209 1.00 53.53 C ATOM 460 C ALA A 531 -6.601 -16.401 3.793 1.00 63.42 C ATOM 461 O ALA A 531 -7.074 -16.745 4.879 1.00 65.40 O ATOM 462 CB ALA A 531 -7.086 -14.000 4.305 1.00 2.44 C ATOM 0 H ALA A 531 -8.896 -14.755 2.686 1.00 75.42 H new ATOM 0 HA ALA A 531 -6.019 -14.717 2.631 1.00 53.53 H new ATOM 0 HB1 ALA A 531 -6.217 -13.995 4.962 1.00 2.44 H new ATOM 0 HB2 ALA A 531 -7.208 -13.014 3.857 1.00 2.44 H new ATOM 0 HB3 ALA A 531 -7.976 -14.249 4.883 1.00 2.44 H new ATOM 468 N ARG A 532 -5.917 -17.198 3.012 1.00 4.04 N ATOM 469 CA ARG A 532 -5.490 -18.516 3.380 1.00 61.40 C ATOM 470 C ARG A 532 -4.046 -18.630 2.949 1.00 44.53 C ATOM 471 O ARG A 532 -3.694 -18.148 1.867 1.00 4.24 O ATOM 472 CB ARG A 532 -6.302 -19.592 2.630 1.00 12.11 C ATOM 473 CG ARG A 532 -7.819 -19.499 2.756 1.00 53.31 C ATOM 474 CD ARG A 532 -8.299 -19.608 4.192 1.00 24.12 C ATOM 475 NE ARG A 532 -9.763 -19.637 4.257 1.00 55.10 N ATOM 476 CZ ARG A 532 -10.507 -19.637 5.374 1.00 33.01 C ATOM 477 NH1 ARG A 532 -9.949 -19.430 6.569 1.00 70.04 N ATOM 478 NH2 ARG A 532 -11.821 -19.781 5.280 1.00 73.41 N ATOM 0 H ARG A 532 -5.634 -16.933 2.069 1.00 4.04 H new ATOM 0 HA ARG A 532 -5.627 -18.669 4.451 1.00 61.40 H new ATOM 0 HB2 ARG A 532 -6.042 -19.542 1.573 1.00 12.11 H new ATOM 0 HB3 ARG A 532 -5.988 -20.572 2.990 1.00 12.11 H new ATOM 0 HG2 ARG A 532 -8.156 -18.551 2.336 1.00 53.31 H new ATOM 0 HG3 ARG A 532 -8.277 -20.291 2.164 1.00 53.31 H new ATOM 0 HD2 ARG A 532 -7.894 -20.512 4.647 1.00 24.12 H new ATOM 0 HD3 ARG A 532 -7.923 -18.764 4.770 1.00 24.12 H new ATOM 0 HE ARG A 532 -10.264 -19.659 3.369 1.00 55.10 H new ATOM 0 HH11 ARG A 532 -8.944 -19.269 6.642 1.00 70.04 H new ATOM 0 HH12 ARG A 532 -10.527 -19.433 7.409 1.00 70.04 H new ATOM 0 HH21 ARG A 532 -12.258 -19.890 4.365 1.00 73.41 H new ATOM 0 HH22 ARG A 532 -12.395 -19.782 6.123 1.00 73.41 H new ATOM 492 N GLY A 533 -3.219 -19.224 3.761 1.00 45.34 N ATOM 493 CA GLY A 533 -1.830 -19.360 3.399 1.00 74.23 C ATOM 494 C GLY A 533 -1.033 -18.154 3.834 1.00 61.22 C ATOM 495 O GLY A 533 -1.599 -17.167 4.304 1.00 22.31 O ATOM 0 H GLY A 533 -3.473 -19.618 4.667 1.00 45.34 H new ATOM 0 HA2 GLY A 533 -1.417 -20.258 3.860 1.00 74.23 H new ATOM 0 HA3 GLY A 533 -1.743 -19.487 2.320 1.00 74.23 H new ATOM 499 N ASN A 534 0.257 -18.211 3.682 1.00 53.20 N ATOM 500 CA ASN A 534 1.103 -17.127 4.113 1.00 21.32 C ATOM 501 C ASN A 534 1.598 -16.358 2.915 1.00 42.24 C ATOM 502 O ASN A 534 2.225 -16.928 2.016 1.00 31.13 O ATOM 503 CB ASN A 534 2.284 -17.654 4.943 1.00 62.12 C ATOM 504 CG ASN A 534 3.214 -16.561 5.494 1.00 55.11 C ATOM 505 OD1 ASN A 534 4.408 -16.781 5.646 1.00 43.13 O ATOM 506 ND2 ASN A 534 2.689 -15.399 5.816 1.00 61.43 N ATOM 0 H ASN A 534 0.752 -18.998 3.262 1.00 53.20 H new ATOM 0 HA ASN A 534 0.520 -16.458 4.746 1.00 21.32 H new ATOM 0 HB2 ASN A 534 1.894 -18.236 5.778 1.00 62.12 H new ATOM 0 HB3 ASN A 534 2.870 -18.335 4.326 1.00 62.12 H new ATOM 0 HD21 ASN A 534 3.280 -14.661 6.200 1.00 61.43 H new ATOM 0 HD22 ASN A 534 1.691 -15.235 5.682 1.00 61.43 H new ATOM 513 N VAL A 535 1.294 -15.089 2.884 1.00 60.10 N ATOM 514 CA VAL A 535 1.727 -14.218 1.829 1.00 20.25 C ATOM 515 C VAL A 535 2.480 -13.066 2.442 1.00 62.12 C ATOM 516 O VAL A 535 1.992 -12.409 3.367 1.00 53.11 O ATOM 517 CB VAL A 535 0.538 -13.682 0.968 1.00 43.25 C ATOM 518 CG1 VAL A 535 1.031 -12.779 -0.161 1.00 13.23 C ATOM 519 CG2 VAL A 535 -0.249 -14.830 0.388 1.00 31.42 C ATOM 0 H VAL A 535 0.732 -14.627 3.599 1.00 60.10 H new ATOM 0 HA VAL A 535 2.368 -14.788 1.156 1.00 20.25 H new ATOM 0 HB VAL A 535 -0.105 -13.095 1.624 1.00 43.25 H new ATOM 0 HG11 VAL A 535 0.179 -12.423 -0.741 1.00 13.23 H new ATOM 0 HG12 VAL A 535 1.564 -11.927 0.261 1.00 13.23 H new ATOM 0 HG13 VAL A 535 1.702 -13.342 -0.810 1.00 13.23 H new ATOM 0 HG21 VAL A 535 -1.074 -14.441 -0.209 1.00 31.42 H new ATOM 0 HG22 VAL A 535 0.402 -15.435 -0.243 1.00 31.42 H new ATOM 0 HG23 VAL A 535 -0.645 -15.445 1.196 1.00 31.42 H new ATOM 529 N ILE A 536 3.661 -12.855 1.977 1.00 24.31 N ATOM 530 CA ILE A 536 4.473 -11.787 2.469 1.00 22.42 C ATOM 531 C ILE A 536 4.375 -10.624 1.510 1.00 34.20 C ATOM 532 O ILE A 536 4.355 -10.819 0.284 1.00 53.12 O ATOM 533 CB ILE A 536 5.949 -12.235 2.654 1.00 3.33 C ATOM 534 CG1 ILE A 536 6.043 -13.377 3.667 1.00 22.23 C ATOM 535 CG2 ILE A 536 6.815 -11.084 3.094 1.00 63.24 C ATOM 536 CD1 ILE A 536 5.500 -13.018 5.031 1.00 2.22 C ATOM 0 H ILE A 536 4.096 -13.416 1.244 1.00 24.31 H new ATOM 0 HA ILE A 536 4.111 -11.483 3.451 1.00 22.42 H new ATOM 0 HB ILE A 536 6.311 -12.588 1.689 1.00 3.33 H new ATOM 0 HG12 ILE A 536 5.498 -14.239 3.283 1.00 22.23 H new ATOM 0 HG13 ILE A 536 7.086 -13.678 3.767 1.00 22.23 H new ATOM 0 HG21 ILE A 536 7.842 -11.427 3.215 1.00 63.24 H new ATOM 0 HG22 ILE A 536 6.782 -10.296 2.342 1.00 63.24 H new ATOM 0 HG23 ILE A 536 6.448 -10.695 4.044 1.00 63.24 H new ATOM 0 HD11 ILE A 536 5.598 -13.874 5.699 1.00 2.22 H new ATOM 0 HD12 ILE A 536 6.061 -12.176 5.436 1.00 2.22 H new ATOM 0 HD13 ILE A 536 4.448 -12.745 4.944 1.00 2.22 H new ATOM 548 N VAL A 537 4.252 -9.438 2.045 1.00 11.35 N ATOM 549 CA VAL A 537 4.133 -8.260 1.220 1.00 21.51 C ATOM 550 C VAL A 537 5.250 -7.250 1.544 1.00 74.21 C ATOM 551 O VAL A 537 5.275 -6.676 2.639 1.00 24.54 O ATOM 552 CB VAL A 537 2.736 -7.575 1.366 1.00 21.40 C ATOM 553 CG1 VAL A 537 2.625 -6.365 0.453 1.00 31.53 C ATOM 554 CG2 VAL A 537 1.607 -8.558 1.065 1.00 24.10 C ATOM 0 H VAL A 537 4.231 -9.260 3.049 1.00 11.35 H new ATOM 0 HA VAL A 537 4.235 -8.588 0.186 1.00 21.51 H new ATOM 0 HB VAL A 537 2.641 -7.243 2.400 1.00 21.40 H new ATOM 0 HG11 VAL A 537 1.643 -5.907 0.574 1.00 31.53 H new ATOM 0 HG12 VAL A 537 3.398 -5.641 0.712 1.00 31.53 H new ATOM 0 HG13 VAL A 537 2.754 -6.678 -0.583 1.00 31.53 H new ATOM 0 HG21 VAL A 537 0.647 -8.054 1.174 1.00 24.10 H new ATOM 0 HG22 VAL A 537 1.709 -8.927 0.045 1.00 24.10 H new ATOM 0 HG23 VAL A 537 1.659 -9.395 1.761 1.00 24.10 H new ATOM 564 N PRO A 538 6.208 -7.065 0.625 1.00 10.51 N ATOM 565 CA PRO A 538 7.279 -6.084 0.792 1.00 4.34 C ATOM 566 C PRO A 538 6.777 -4.651 0.559 1.00 62.14 C ATOM 567 O PRO A 538 6.036 -4.386 -0.394 1.00 3.33 O ATOM 568 CB PRO A 538 8.306 -6.481 -0.275 1.00 63.12 C ATOM 569 CG PRO A 538 7.526 -7.199 -1.324 1.00 11.43 C ATOM 570 CD PRO A 538 6.330 -7.811 -0.642 1.00 64.11 C ATOM 0 HA PRO A 538 7.688 -6.087 1.802 1.00 4.34 H new ATOM 0 HB2 PRO A 538 8.804 -5.604 -0.687 1.00 63.12 H new ATOM 0 HB3 PRO A 538 9.082 -7.121 0.145 1.00 63.12 H new ATOM 0 HG2 PRO A 538 7.212 -6.512 -2.109 1.00 11.43 H new ATOM 0 HG3 PRO A 538 8.135 -7.968 -1.798 1.00 11.43 H new ATOM 0 HD2 PRO A 538 5.431 -7.710 -1.250 1.00 64.11 H new ATOM 0 HD3 PRO A 538 6.476 -8.876 -0.463 1.00 64.11 H new ATOM 578 N TYR A 539 7.175 -3.745 1.415 1.00 22.31 N ATOM 579 CA TYR A 539 6.755 -2.357 1.327 1.00 40.31 C ATOM 580 C TYR A 539 7.959 -1.465 1.509 1.00 1.43 C ATOM 581 O TYR A 539 8.969 -1.901 2.094 1.00 61.44 O ATOM 582 CB TYR A 539 5.703 -2.027 2.410 1.00 12.40 C ATOM 583 CG TYR A 539 6.228 -2.046 3.842 1.00 73.01 C ATOM 584 CD1 TYR A 539 6.323 -3.229 4.545 1.00 22.12 C ATOM 585 CD2 TYR A 539 6.626 -0.870 4.482 1.00 12.24 C ATOM 586 CE1 TYR A 539 6.797 -3.256 5.838 1.00 51.11 C ATOM 587 CE2 TYR A 539 7.103 -0.886 5.778 1.00 54.14 C ATOM 588 CZ TYR A 539 7.185 -2.089 6.452 1.00 54.24 C ATOM 589 OH TYR A 539 7.665 -2.132 7.739 1.00 71.51 O ATOM 0 H TYR A 539 7.800 -3.942 2.196 1.00 22.31 H new ATOM 0 HA TYR A 539 6.305 -2.190 0.349 1.00 40.31 H new ATOM 0 HB2 TYR A 539 5.288 -1.041 2.204 1.00 12.40 H new ATOM 0 HB3 TYR A 539 4.883 -2.741 2.329 1.00 12.40 H new ATOM 0 HD1 TYR A 539 6.020 -4.152 4.073 1.00 22.12 H new ATOM 0 HD2 TYR A 539 6.559 0.069 3.953 1.00 12.24 H new ATOM 0 HE1 TYR A 539 6.864 -4.194 6.369 1.00 51.11 H new ATOM 0 HE2 TYR A 539 7.408 0.031 6.259 1.00 54.14 H new ATOM 0 HH TYR A 539 7.898 -1.226 8.032 1.00 71.51 H new ATOM 599 N LYS A 540 7.876 -0.253 1.026 1.00 62.11 N ATOM 600 CA LYS A 540 8.953 0.698 1.182 1.00 65.43 C ATOM 601 C LYS A 540 8.444 2.118 1.072 1.00 74.11 C ATOM 602 O LYS A 540 7.368 2.363 0.497 1.00 23.22 O ATOM 603 CB LYS A 540 10.055 0.467 0.146 1.00 40.22 C ATOM 604 CG LYS A 540 9.611 0.644 -1.290 1.00 45.40 C ATOM 605 CD LYS A 540 10.780 0.483 -2.225 1.00 52.52 C ATOM 606 CE LYS A 540 10.367 0.708 -3.659 1.00 52.14 C ATOM 607 NZ LYS A 540 11.499 0.514 -4.600 1.00 0.53 N ATOM 0 H LYS A 540 7.068 0.104 0.517 1.00 62.11 H new ATOM 0 HA LYS A 540 9.372 0.547 2.177 1.00 65.43 H new ATOM 0 HB2 LYS A 540 10.876 1.155 0.347 1.00 40.22 H new ATOM 0 HB3 LYS A 540 10.448 -0.542 0.270 1.00 40.22 H new ATOM 0 HG2 LYS A 540 8.840 -0.088 -1.532 1.00 45.40 H new ATOM 0 HG3 LYS A 540 9.166 1.630 -1.421 1.00 45.40 H new ATOM 0 HD2 LYS A 540 11.565 1.189 -1.955 1.00 52.52 H new ATOM 0 HD3 LYS A 540 11.200 -0.517 -2.117 1.00 52.52 H new ATOM 0 HE2 LYS A 540 9.560 0.022 -3.916 1.00 52.14 H new ATOM 0 HE3 LYS A 540 9.973 1.718 -3.769 1.00 52.14 H new ATOM 0 HZ1 LYS A 540 11.173 0.678 -5.574 1.00 0.53 H new ATOM 0 HZ2 LYS A 540 12.259 1.186 -4.372 1.00 0.53 H new ATOM 0 HZ3 LYS A 540 11.859 -0.458 -4.514 1.00 0.53 H new ATOM 621 N THR A 541 9.188 3.027 1.645 1.00 51.43 N ATOM 622 CA THR A 541 8.929 4.432 1.552 1.00 51.53 C ATOM 623 C THR A 541 9.678 5.043 0.360 1.00 3.42 C ATOM 624 O THR A 541 10.908 4.988 0.295 1.00 62.25 O ATOM 625 CB THR A 541 9.384 5.130 2.854 1.00 3.12 C ATOM 626 OG1 THR A 541 10.588 4.509 3.340 1.00 24.41 O ATOM 627 CG2 THR A 541 8.327 5.056 3.939 1.00 71.14 C ATOM 0 H THR A 541 10.011 2.800 2.203 1.00 51.43 H new ATOM 0 HA THR A 541 7.859 4.578 1.407 1.00 51.53 H new ATOM 0 HB THR A 541 9.558 6.179 2.617 1.00 3.12 H new ATOM 0 HG1 THR A 541 11.347 4.788 2.786 1.00 24.41 H new ATOM 0 HG21 THR A 541 8.690 5.559 4.835 1.00 71.14 H new ATOM 0 HG22 THR A 541 7.416 5.544 3.593 1.00 71.14 H new ATOM 0 HG23 THR A 541 8.115 4.012 4.170 1.00 71.14 H new ATOM 635 N ILE A 542 8.952 5.559 -0.592 1.00 74.41 N ATOM 636 CA ILE A 542 9.555 6.261 -1.696 1.00 2.32 C ATOM 637 C ILE A 542 9.700 7.696 -1.256 1.00 25.54 C ATOM 638 O ILE A 542 8.695 8.384 -1.042 1.00 73.23 O ATOM 639 CB ILE A 542 8.719 6.217 -3.030 1.00 40.33 C ATOM 640 CG1 ILE A 542 8.517 4.789 -3.573 1.00 1.35 C ATOM 641 CG2 ILE A 542 9.358 7.087 -4.108 1.00 1.22 C ATOM 642 CD1 ILE A 542 7.502 3.963 -2.827 1.00 60.24 C ATOM 0 H ILE A 542 7.934 5.507 -0.627 1.00 74.41 H new ATOM 0 HA ILE A 542 10.503 5.776 -1.931 1.00 2.32 H new ATOM 0 HB ILE A 542 7.735 6.612 -2.775 1.00 40.33 H new ATOM 0 HG12 ILE A 542 8.214 4.853 -4.618 1.00 1.35 H new ATOM 0 HG13 ILE A 542 9.475 4.269 -3.550 1.00 1.35 H new ATOM 0 HG21 ILE A 542 8.760 7.037 -5.018 1.00 1.22 H new ATOM 0 HG22 ILE A 542 9.406 8.119 -3.761 1.00 1.22 H new ATOM 0 HG23 ILE A 542 10.365 6.727 -4.316 1.00 1.22 H new ATOM 0 HD11 ILE A 542 7.430 2.976 -3.283 1.00 60.24 H new ATOM 0 HD12 ILE A 542 7.810 3.861 -1.786 1.00 60.24 H new ATOM 0 HD13 ILE A 542 6.530 4.454 -2.871 1.00 60.24 H new ATOM 654 N GLU A 543 10.929 8.118 -1.085 1.00 31.14 N ATOM 655 CA GLU A 543 11.251 9.446 -0.602 1.00 2.23 C ATOM 656 C GLU A 543 10.625 10.594 -1.408 1.00 20.54 C ATOM 657 O GLU A 543 10.072 11.530 -0.818 1.00 24.02 O ATOM 658 CB GLU A 543 12.766 9.617 -0.363 1.00 30.20 C ATOM 659 CG GLU A 543 13.691 8.898 -1.335 1.00 53.24 C ATOM 660 CD GLU A 543 13.498 9.300 -2.767 1.00 63.40 C ATOM 661 OE1 GLU A 543 14.062 10.319 -3.194 1.00 21.53 O ATOM 662 OE2 GLU A 543 12.736 8.620 -3.483 1.00 23.14 O ATOM 0 H GLU A 543 11.749 7.543 -1.279 1.00 31.14 H new ATOM 0 HA GLU A 543 10.764 9.526 0.370 1.00 2.23 H new ATOM 0 HB2 GLU A 543 12.999 10.681 -0.394 1.00 30.20 H new ATOM 0 HB3 GLU A 543 12.994 9.270 0.645 1.00 30.20 H new ATOM 0 HG2 GLU A 543 14.725 9.093 -1.049 1.00 53.24 H new ATOM 0 HG3 GLU A 543 13.532 7.823 -1.245 1.00 53.24 H new ATOM 669 N GLY A 544 10.712 10.517 -2.727 1.00 72.32 N ATOM 670 CA GLY A 544 10.109 11.515 -3.595 1.00 53.24 C ATOM 671 C GLY A 544 10.710 12.903 -3.419 1.00 21.50 C ATOM 672 O GLY A 544 11.743 13.236 -4.010 1.00 74.43 O ATOM 0 H GLY A 544 11.198 9.769 -3.222 1.00 72.32 H new ATOM 0 HA2 GLY A 544 10.227 11.204 -4.633 1.00 53.24 H new ATOM 0 HA3 GLY A 544 9.038 11.562 -3.396 1.00 53.24 H new ATOM 676 N THR A 545 10.086 13.696 -2.593 1.00 3.25 N ATOM 677 CA THR A 545 10.526 15.044 -2.358 1.00 62.41 C ATOM 678 C THR A 545 11.018 15.213 -0.900 1.00 45.24 C ATOM 679 O THR A 545 11.465 16.292 -0.494 1.00 71.13 O ATOM 680 CB THR A 545 9.384 16.064 -2.723 1.00 4.33 C ATOM 681 OG1 THR A 545 9.799 17.430 -2.531 1.00 20.02 O ATOM 682 CG2 THR A 545 8.123 15.803 -1.914 1.00 20.01 C ATOM 0 H THR A 545 9.257 13.426 -2.063 1.00 3.25 H new ATOM 0 HA THR A 545 11.375 15.259 -3.008 1.00 62.41 H new ATOM 0 HB THR A 545 9.167 15.912 -3.780 1.00 4.33 H new ATOM 0 HG1 THR A 545 10.439 17.476 -1.790 1.00 20.02 H new ATOM 0 HG21 THR A 545 7.356 16.526 -2.192 1.00 20.01 H new ATOM 0 HG22 THR A 545 7.762 14.795 -2.118 1.00 20.01 H new ATOM 0 HG23 THR A 545 8.346 15.901 -0.851 1.00 20.01 H new ATOM 690 N ALA A 546 10.970 14.144 -0.131 1.00 10.23 N ATOM 691 CA ALA A 546 11.404 14.190 1.249 1.00 43.32 C ATOM 692 C ALA A 546 12.770 13.529 1.386 1.00 62.32 C ATOM 693 O ALA A 546 13.150 12.708 0.551 1.00 63.43 O ATOM 694 CB ALA A 546 10.381 13.514 2.142 1.00 24.23 C ATOM 0 H ALA A 546 10.634 13.232 -0.440 1.00 10.23 H new ATOM 0 HA ALA A 546 11.493 15.230 1.563 1.00 43.32 H new ATOM 0 HB1 ALA A 546 10.719 13.555 3.178 1.00 24.23 H new ATOM 0 HB2 ALA A 546 9.424 14.027 2.052 1.00 24.23 H new ATOM 0 HB3 ALA A 546 10.265 12.473 1.839 1.00 24.23 H new ATOM 700 N ARG A 547 13.510 13.885 2.424 1.00 64.12 N ATOM 701 CA ARG A 547 14.848 13.320 2.625 1.00 55.14 C ATOM 702 C ARG A 547 14.779 12.048 3.385 1.00 23.55 C ATOM 703 O ARG A 547 14.255 11.993 4.512 1.00 1.02 O ATOM 704 CB ARG A 547 15.845 14.250 3.327 1.00 53.23 C ATOM 705 CG ARG A 547 16.326 15.432 2.534 1.00 33.30 C ATOM 706 CD ARG A 547 15.216 16.400 2.258 1.00 31.03 C ATOM 707 NE ARG A 547 15.699 17.680 1.722 1.00 14.10 N ATOM 708 CZ ARG A 547 15.236 18.303 0.623 1.00 1.14 C ATOM 709 NH1 ARG A 547 14.449 17.659 -0.248 1.00 12.00 N ATOM 710 NH2 ARG A 547 15.605 19.556 0.375 1.00 71.22 N ATOM 0 H ARG A 547 13.218 14.554 3.136 1.00 64.12 H new ATOM 0 HA ARG A 547 15.223 13.157 1.614 1.00 55.14 H new ATOM 0 HB2 ARG A 547 15.383 14.618 4.243 1.00 53.23 H new ATOM 0 HB3 ARG A 547 16.713 13.660 3.623 1.00 53.23 H new ATOM 0 HG2 ARG A 547 17.123 15.937 3.080 1.00 33.30 H new ATOM 0 HG3 ARG A 547 16.753 15.089 1.592 1.00 33.30 H new ATOM 0 HD2 ARG A 547 14.519 15.954 1.549 1.00 31.03 H new ATOM 0 HD3 ARG A 547 14.661 16.582 3.178 1.00 31.03 H new ATOM 0 HE ARG A 547 16.455 18.139 2.230 1.00 14.10 H new ATOM 0 HH11 ARG A 547 14.194 16.685 -0.082 1.00 12.00 H new ATOM 0 HH12 ARG A 547 14.104 18.142 -1.078 1.00 12.00 H new ATOM 0 HH21 ARG A 547 16.235 20.038 1.016 1.00 71.22 H new ATOM 0 HH22 ARG A 547 15.258 20.035 -0.456 1.00 71.22 H new ATOM 724 N GLY A 548 15.346 11.059 2.806 1.00 71.31 N ATOM 725 CA GLY A 548 15.327 9.737 3.382 1.00 61.33 C ATOM 726 C GLY A 548 16.457 9.528 4.360 1.00 31.51 C ATOM 727 O GLY A 548 17.260 10.437 4.591 1.00 73.03 O ATOM 0 H GLY A 548 15.842 11.126 1.917 1.00 71.31 H new ATOM 0 HA2 GLY A 548 14.375 9.576 3.889 1.00 61.33 H new ATOM 0 HA3 GLY A 548 15.394 8.995 2.587 1.00 61.33 H new ATOM 731 N GLY A 549 16.509 8.342 4.933 1.00 72.44 N ATOM 732 CA GLY A 549 17.562 7.985 5.858 1.00 1.01 C ATOM 733 C GLY A 549 17.431 8.630 7.219 1.00 21.02 C ATOM 734 O GLY A 549 18.433 8.922 7.858 1.00 4.42 O ATOM 0 H GLY A 549 15.825 7.603 4.771 1.00 72.44 H new ATOM 0 HA2 GLY A 549 17.572 6.902 5.980 1.00 1.01 H new ATOM 0 HA3 GLY A 549 18.522 8.266 5.425 1.00 1.01 H new ATOM 738 N GLY A 550 16.204 8.886 7.658 1.00 0.51 N ATOM 739 CA GLY A 550 16.005 9.472 8.966 1.00 14.23 C ATOM 740 C GLY A 550 16.324 10.946 8.977 1.00 52.04 C ATOM 741 O GLY A 550 16.588 11.527 10.031 1.00 42.52 O ATOM 0 H GLY A 550 15.349 8.699 7.134 1.00 0.51 H new ATOM 0 HA2 GLY A 550 14.971 9.322 9.277 1.00 14.23 H new ATOM 0 HA3 GLY A 550 16.634 8.959 9.693 1.00 14.23 H new ATOM 745 N GLU A 551 16.294 11.551 7.813 1.00 63.34 N ATOM 746 CA GLU A 551 16.625 12.944 7.688 1.00 53.01 C ATOM 747 C GLU A 551 15.360 13.797 7.817 1.00 74.20 C ATOM 748 O GLU A 551 15.191 14.531 8.794 1.00 1.45 O ATOM 749 CB GLU A 551 17.328 13.195 6.359 1.00 53.22 C ATOM 750 CG GLU A 551 17.991 14.551 6.263 1.00 75.15 C ATOM 751 CD GLU A 551 19.122 14.700 7.265 1.00 74.05 C ATOM 752 OE1 GLU A 551 18.861 14.859 8.475 1.00 63.34 O ATOM 753 OE2 GLU A 551 20.313 14.628 6.863 1.00 21.21 O ATOM 0 H GLU A 551 16.042 11.094 6.937 1.00 63.34 H new ATOM 0 HA GLU A 551 17.306 13.227 8.490 1.00 53.01 H new ATOM 0 HB2 GLU A 551 18.081 12.422 6.206 1.00 53.22 H new ATOM 0 HB3 GLU A 551 16.602 13.098 5.551 1.00 53.22 H new ATOM 0 HG2 GLU A 551 18.378 14.695 5.254 1.00 75.15 H new ATOM 0 HG3 GLU A 551 17.249 15.331 6.434 1.00 75.15 H new ATOM 760 N ASP A 552 14.458 13.670 6.850 1.00 24.14 N ATOM 761 CA ASP A 552 13.185 14.404 6.908 1.00 32.45 C ATOM 762 C ASP A 552 12.130 13.409 7.366 1.00 41.14 C ATOM 763 O ASP A 552 11.152 13.753 8.025 1.00 50.14 O ATOM 764 CB ASP A 552 12.804 14.973 5.518 1.00 22.54 C ATOM 765 CG ASP A 552 12.081 16.324 5.550 1.00 5.11 C ATOM 766 OD1 ASP A 552 10.998 16.442 6.081 1.00 2.34 O ATOM 767 OD2 ASP A 552 12.640 17.322 5.020 1.00 51.44 O ATOM 0 H ASP A 552 14.574 13.078 6.027 1.00 24.14 H new ATOM 0 HA ASP A 552 13.265 15.250 7.591 1.00 32.45 H new ATOM 0 HB2 ASP A 552 13.711 15.077 4.923 1.00 22.54 H new ATOM 0 HB3 ASP A 552 12.169 14.249 5.007 1.00 22.54 H new ATOM 772 N PHE A 553 12.359 12.145 7.014 1.00 10.13 N ATOM 773 CA PHE A 553 11.516 11.053 7.434 1.00 3.32 C ATOM 774 C PHE A 553 12.387 9.823 7.629 1.00 2.42 C ATOM 775 O PHE A 553 13.514 9.764 7.099 1.00 73.43 O ATOM 776 CB PHE A 553 10.415 10.753 6.404 1.00 31.13 C ATOM 777 CG PHE A 553 10.864 10.031 5.151 1.00 55.14 C ATOM 778 CD1 PHE A 553 11.409 10.711 4.087 1.00 42.05 C ATOM 779 CD2 PHE A 553 10.722 8.659 5.056 1.00 25.44 C ATOM 780 CE1 PHE A 553 11.807 10.034 2.951 1.00 45.43 C ATOM 781 CE2 PHE A 553 11.119 7.981 3.933 1.00 33.14 C ATOM 782 CZ PHE A 553 11.661 8.664 2.880 1.00 33.04 C ATOM 0 H PHE A 553 13.142 11.860 6.426 1.00 10.13 H new ATOM 0 HA PHE A 553 11.022 11.330 8.366 1.00 3.32 H new ATOM 0 HB2 PHE A 553 9.644 10.155 6.889 1.00 31.13 H new ATOM 0 HB3 PHE A 553 9.951 11.695 6.111 1.00 31.13 H new ATOM 0 HD1 PHE A 553 11.527 11.783 4.140 1.00 42.05 H new ATOM 0 HD2 PHE A 553 10.291 8.112 5.881 1.00 25.44 H new ATOM 0 HE1 PHE A 553 12.232 10.576 2.119 1.00 45.43 H new ATOM 0 HE2 PHE A 553 11.004 6.908 3.880 1.00 33.14 H new ATOM 0 HZ PHE A 553 11.974 8.132 1.994 1.00 33.04 H new ATOM 792 N GLU A 554 11.896 8.869 8.375 1.00 60.54 N ATOM 793 CA GLU A 554 12.605 7.642 8.620 1.00 20.01 C ATOM 794 C GLU A 554 12.164 6.662 7.528 1.00 4.52 C ATOM 795 O GLU A 554 10.971 6.506 7.275 1.00 15.04 O ATOM 796 CB GLU A 554 12.227 7.143 10.018 1.00 60.42 C ATOM 797 CG GLU A 554 13.204 6.187 10.710 1.00 75.05 C ATOM 798 CD GLU A 554 13.466 4.898 9.982 1.00 32.44 C ATOM 799 OE1 GLU A 554 12.738 3.902 10.198 1.00 75.32 O ATOM 800 OE2 GLU A 554 14.445 4.845 9.232 1.00 45.53 O ATOM 0 H GLU A 554 10.986 8.922 8.833 1.00 60.54 H new ATOM 0 HA GLU A 554 13.688 7.760 8.589 1.00 20.01 H new ATOM 0 HB2 GLU A 554 12.093 8.012 10.662 1.00 60.42 H new ATOM 0 HB3 GLU A 554 11.260 6.645 9.949 1.00 60.42 H new ATOM 0 HG2 GLU A 554 14.153 6.704 10.852 1.00 75.05 H new ATOM 0 HG3 GLU A 554 12.817 5.953 11.702 1.00 75.05 H new ATOM 807 N ASP A 555 13.117 6.042 6.880 1.00 1.31 N ATOM 808 CA ASP A 555 12.834 5.174 5.746 1.00 10.32 C ATOM 809 C ASP A 555 12.519 3.787 6.211 1.00 2.24 C ATOM 810 O ASP A 555 13.374 3.115 6.796 1.00 14.32 O ATOM 811 CB ASP A 555 14.021 5.132 4.777 1.00 60.21 C ATOM 812 CG ASP A 555 13.808 4.171 3.613 1.00 14.24 C ATOM 813 OD1 ASP A 555 13.165 4.560 2.615 1.00 41.41 O ATOM 814 OD2 ASP A 555 14.333 3.032 3.645 1.00 64.14 O ATOM 0 H ASP A 555 14.107 6.118 7.115 1.00 1.31 H new ATOM 0 HA ASP A 555 11.969 5.583 5.224 1.00 10.32 H new ATOM 0 HB2 ASP A 555 14.199 6.134 4.386 1.00 60.21 H new ATOM 0 HB3 ASP A 555 14.918 4.839 5.323 1.00 60.21 H new ATOM 819 N THR A 556 11.333 3.346 5.943 1.00 0.32 N ATOM 820 CA THR A 556 10.945 2.052 6.345 1.00 23.33 C ATOM 821 C THR A 556 10.662 1.179 5.129 1.00 62.43 C ATOM 822 O THR A 556 9.866 1.522 4.238 1.00 65.23 O ATOM 823 CB THR A 556 9.775 2.056 7.377 1.00 2.45 C ATOM 824 OG1 THR A 556 9.525 0.732 7.865 1.00 22.42 O ATOM 825 CG2 THR A 556 8.502 2.631 6.801 1.00 3.41 C ATOM 0 H THR A 556 10.618 3.875 5.443 1.00 0.32 H new ATOM 0 HA THR A 556 11.785 1.610 6.881 1.00 23.33 H new ATOM 0 HB THR A 556 10.088 2.697 8.201 1.00 2.45 H new ATOM 0 HG1 THR A 556 8.789 0.755 8.512 1.00 22.42 H new ATOM 0 HG21 THR A 556 7.719 2.611 7.559 1.00 3.41 H new ATOM 0 HG22 THR A 556 8.677 3.660 6.487 1.00 3.41 H new ATOM 0 HG23 THR A 556 8.191 2.037 5.942 1.00 3.41 H new ATOM 833 N CYS A 557 11.370 0.102 5.066 1.00 72.24 N ATOM 834 CA CYS A 557 11.253 -0.846 4.019 1.00 0.32 C ATOM 835 C CYS A 557 11.445 -2.230 4.595 1.00 64.31 C ATOM 836 O CYS A 557 12.399 -2.470 5.340 1.00 5.11 O ATOM 837 CB CYS A 557 12.263 -0.516 2.910 1.00 43.25 C ATOM 838 SG CYS A 557 13.898 -0.015 3.516 1.00 23.00 S ATOM 0 H CYS A 557 12.068 -0.147 5.767 1.00 72.24 H new ATOM 0 HA CYS A 557 10.263 -0.809 3.565 1.00 0.32 H new ATOM 0 HB2 CYS A 557 12.378 -1.389 2.268 1.00 43.25 H new ATOM 0 HB3 CYS A 557 11.857 0.284 2.291 1.00 43.25 H new ATOM 0 HG CYS A 557 13.977 1.283 3.529 1.00 23.00 H new ATOM 844 N GLY A 558 10.529 -3.112 4.307 1.00 73.44 N ATOM 845 CA GLY A 558 10.574 -4.423 4.848 1.00 15.41 C ATOM 846 C GLY A 558 9.451 -5.237 4.310 1.00 51.44 C ATOM 847 O GLY A 558 8.871 -4.881 3.278 1.00 52.53 O ATOM 0 H GLY A 558 9.736 -2.934 3.691 1.00 73.44 H new ATOM 0 HA2 GLY A 558 11.526 -4.894 4.601 1.00 15.41 H new ATOM 0 HA3 GLY A 558 10.513 -4.378 5.935 1.00 15.41 H new ATOM 851 N GLU A 559 9.099 -6.275 5.004 1.00 65.43 N ATOM 852 CA GLU A 559 8.081 -7.189 4.555 1.00 52.14 C ATOM 853 C GLU A 559 7.039 -7.453 5.632 1.00 52.53 C ATOM 854 O GLU A 559 7.369 -7.851 6.750 1.00 33.51 O ATOM 855 CB GLU A 559 8.730 -8.488 4.128 1.00 42.53 C ATOM 856 CG GLU A 559 9.509 -8.406 2.832 1.00 14.03 C ATOM 857 CD GLU A 559 10.274 -9.669 2.538 1.00 45.30 C ATOM 858 OE1 GLU A 559 9.737 -10.584 1.894 1.00 42.51 O ATOM 859 OE2 GLU A 559 11.447 -9.763 2.953 1.00 60.04 O ATOM 0 H GLU A 559 9.510 -6.518 5.905 1.00 65.43 H new ATOM 0 HA GLU A 559 7.564 -6.734 3.710 1.00 52.14 H new ATOM 0 HB2 GLU A 559 9.401 -8.821 4.920 1.00 42.53 H new ATOM 0 HB3 GLU A 559 7.956 -9.249 4.024 1.00 42.53 H new ATOM 0 HG2 GLU A 559 8.822 -8.202 2.011 1.00 14.03 H new ATOM 0 HG3 GLU A 559 10.204 -7.568 2.882 1.00 14.03 H new ATOM 866 N LEU A 560 5.797 -7.238 5.284 1.00 74.11 N ATOM 867 CA LEU A 560 4.678 -7.479 6.170 1.00 34.13 C ATOM 868 C LEU A 560 4.217 -8.911 6.006 1.00 42.22 C ATOM 869 O LEU A 560 4.260 -9.460 4.893 1.00 30.52 O ATOM 870 CB LEU A 560 3.516 -6.547 5.833 1.00 14.05 C ATOM 871 CG LEU A 560 3.747 -5.053 6.023 1.00 13.02 C ATOM 872 CD1 LEU A 560 2.578 -4.279 5.472 1.00 33.33 C ATOM 873 CD2 LEU A 560 3.945 -4.710 7.493 1.00 24.04 C ATOM 0 H LEU A 560 5.526 -6.886 4.366 1.00 74.11 H new ATOM 0 HA LEU A 560 4.997 -7.294 7.196 1.00 34.13 H new ATOM 0 HB2 LEU A 560 3.237 -6.717 4.793 1.00 14.05 H new ATOM 0 HB3 LEU A 560 2.661 -6.838 6.444 1.00 14.05 H new ATOM 0 HG LEU A 560 4.653 -4.779 5.483 1.00 13.02 H new ATOM 0 HD11 LEU A 560 2.750 -3.212 5.611 1.00 33.33 H new ATOM 0 HD12 LEU A 560 2.468 -4.493 4.409 1.00 33.33 H new ATOM 0 HD13 LEU A 560 1.668 -4.571 5.997 1.00 33.33 H new ATOM 0 HD21 LEU A 560 4.108 -3.637 7.598 1.00 24.04 H new ATOM 0 HD22 LEU A 560 3.058 -4.999 8.057 1.00 24.04 H new ATOM 0 HD23 LEU A 560 4.811 -5.248 7.879 1.00 24.04 H new ATOM 885 N GLU A 561 3.783 -9.508 7.082 1.00 12.41 N ATOM 886 CA GLU A 561 3.317 -10.859 7.054 1.00 34.02 C ATOM 887 C GLU A 561 1.799 -10.899 7.112 1.00 33.43 C ATOM 888 O GLU A 561 1.191 -10.341 8.022 1.00 14.21 O ATOM 889 CB GLU A 561 3.904 -11.648 8.230 1.00 73.35 C ATOM 890 CG GLU A 561 3.513 -13.115 8.250 1.00 73.13 C ATOM 891 CD GLU A 561 4.038 -13.840 9.457 1.00 13.44 C ATOM 892 OE1 GLU A 561 5.168 -14.354 9.416 1.00 74.44 O ATOM 893 OE2 GLU A 561 3.341 -13.905 10.464 1.00 25.32 O ATOM 0 H GLU A 561 3.744 -9.068 8.001 1.00 12.41 H new ATOM 0 HA GLU A 561 3.645 -11.316 6.121 1.00 34.02 H new ATOM 0 HB2 GLU A 561 4.991 -11.573 8.197 1.00 73.35 H new ATOM 0 HB3 GLU A 561 3.581 -11.184 9.162 1.00 73.35 H new ATOM 0 HG2 GLU A 561 2.426 -13.197 8.226 1.00 73.13 H new ATOM 0 HG3 GLU A 561 3.889 -13.599 7.349 1.00 73.13 H new ATOM 900 N PHE A 562 1.205 -11.503 6.122 1.00 73.03 N ATOM 901 CA PHE A 562 -0.207 -11.767 6.128 1.00 51.10 C ATOM 902 C PHE A 562 -0.414 -13.250 6.000 1.00 64.23 C ATOM 903 O PHE A 562 0.378 -13.941 5.343 1.00 12.14 O ATOM 904 CB PHE A 562 -0.936 -11.083 4.980 1.00 12.55 C ATOM 905 CG PHE A 562 -1.106 -9.603 5.072 1.00 12.31 C ATOM 906 CD1 PHE A 562 -2.102 -9.071 5.868 1.00 50.01 C ATOM 907 CD2 PHE A 562 -0.316 -8.748 4.326 1.00 73.24 C ATOM 908 CE1 PHE A 562 -2.306 -7.710 5.927 1.00 40.22 C ATOM 909 CE2 PHE A 562 -0.518 -7.387 4.370 1.00 14.23 C ATOM 910 CZ PHE A 562 -1.516 -6.867 5.171 1.00 24.33 C ATOM 0 H PHE A 562 1.688 -11.828 5.284 1.00 73.03 H new ATOM 0 HA PHE A 562 -0.612 -11.376 7.061 1.00 51.10 H new ATOM 0 HB2 PHE A 562 -0.400 -11.306 4.057 1.00 12.55 H new ATOM 0 HB3 PHE A 562 -1.925 -11.533 4.891 1.00 12.55 H new ATOM 0 HD1 PHE A 562 -2.728 -9.730 6.451 1.00 50.01 H new ATOM 0 HD2 PHE A 562 0.468 -9.152 3.702 1.00 73.24 H new ATOM 0 HE1 PHE A 562 -3.080 -7.304 6.562 1.00 40.22 H new ATOM 0 HE2 PHE A 562 0.102 -6.728 3.780 1.00 14.23 H new ATOM 0 HZ PHE A 562 -1.679 -5.800 5.206 1.00 24.33 H new ATOM 920 N GLN A 563 -1.438 -13.753 6.617 1.00 14.34 N ATOM 921 CA GLN A 563 -1.754 -15.154 6.534 1.00 42.54 C ATOM 922 C GLN A 563 -3.209 -15.387 6.886 1.00 60.23 C ATOM 923 O GLN A 563 -3.973 -14.424 7.035 1.00 72.41 O ATOM 924 CB GLN A 563 -0.780 -16.024 7.375 1.00 14.44 C ATOM 925 CG GLN A 563 -0.598 -15.584 8.803 1.00 51.21 C ATOM 926 CD GLN A 563 0.281 -16.511 9.622 1.00 54.34 C ATOM 927 OE1 GLN A 563 0.091 -16.633 10.823 1.00 31.24 O ATOM 928 NE2 GLN A 563 1.241 -17.165 8.995 1.00 35.44 N ATOM 0 H GLN A 563 -2.080 -13.209 7.193 1.00 14.34 H new ATOM 0 HA GLN A 563 -1.613 -15.477 5.502 1.00 42.54 H new ATOM 0 HB2 GLN A 563 -1.142 -17.052 7.372 1.00 14.44 H new ATOM 0 HB3 GLN A 563 0.194 -16.027 6.886 1.00 14.44 H new ATOM 0 HG2 GLN A 563 -0.164 -14.584 8.813 1.00 51.21 H new ATOM 0 HG3 GLN A 563 -1.576 -15.512 9.279 1.00 51.21 H new ATOM 0 HE21 GLN A 563 1.372 -17.040 7.991 1.00 35.44 H new ATOM 0 HE22 GLN A 563 1.852 -17.796 9.514 1.00 35.44 H new ATOM 937 N ASN A 564 -3.589 -16.639 6.983 1.00 54.22 N ATOM 938 CA ASN A 564 -4.968 -17.048 7.260 1.00 64.10 C ATOM 939 C ASN A 564 -5.479 -16.493 8.582 1.00 13.14 C ATOM 940 O ASN A 564 -6.590 -15.964 8.655 1.00 43.03 O ATOM 941 CB ASN A 564 -5.056 -18.576 7.248 1.00 62.42 C ATOM 942 CG ASN A 564 -6.433 -19.143 7.546 1.00 1.11 C ATOM 943 OD1 ASN A 564 -7.460 -18.539 7.256 1.00 72.50 O ATOM 944 ND2 ASN A 564 -6.457 -20.324 8.101 1.00 23.34 N ATOM 0 H ASN A 564 -2.947 -17.424 6.872 1.00 54.22 H new ATOM 0 HA ASN A 564 -5.606 -16.635 6.478 1.00 64.10 H new ATOM 0 HB2 ASN A 564 -4.736 -18.935 6.270 1.00 62.42 H new ATOM 0 HB3 ASN A 564 -4.351 -18.971 7.979 1.00 62.42 H new ATOM 0 HD21 ASN A 564 -7.350 -20.773 8.307 1.00 23.34 H new ATOM 0 HD22 ASN A 564 -5.583 -20.798 8.329 1.00 23.34 H new ATOM 951 N ASP A 565 -4.681 -16.583 9.614 1.00 33.32 N ATOM 952 CA ASP A 565 -5.118 -16.110 10.921 1.00 10.40 C ATOM 953 C ASP A 565 -4.728 -14.669 11.154 1.00 54.32 C ATOM 954 O ASP A 565 -5.523 -13.888 11.683 1.00 44.45 O ATOM 955 CB ASP A 565 -4.607 -16.998 12.059 1.00 44.13 C ATOM 956 CG ASP A 565 -5.160 -18.396 12.018 1.00 43.32 C ATOM 957 OD1 ASP A 565 -6.348 -18.598 12.354 1.00 54.20 O ATOM 958 OD2 ASP A 565 -4.416 -19.337 11.664 1.00 13.12 O ATOM 0 H ASP A 565 -3.738 -16.971 9.587 1.00 33.32 H new ATOM 0 HA ASP A 565 -6.206 -16.170 10.921 1.00 10.40 H new ATOM 0 HB2 ASP A 565 -3.519 -17.044 12.014 1.00 44.13 H new ATOM 0 HB3 ASP A 565 -4.868 -16.540 13.013 1.00 44.13 H new ATOM 963 N GLU A 566 -3.525 -14.313 10.752 1.00 21.32 N ATOM 964 CA GLU A 566 -3.020 -12.952 10.924 1.00 45.32 C ATOM 965 C GLU A 566 -3.808 -11.986 10.057 1.00 21.45 C ATOM 966 O GLU A 566 -4.058 -12.256 8.874 1.00 32.50 O ATOM 967 CB GLU A 566 -1.532 -12.868 10.569 1.00 71.00 C ATOM 968 CG GLU A 566 -0.900 -11.515 10.846 1.00 35.03 C ATOM 969 CD GLU A 566 -1.014 -11.122 12.293 1.00 62.32 C ATOM 970 OE1 GLU A 566 -2.092 -10.668 12.718 1.00 50.12 O ATOM 971 OE2 GLU A 566 -0.027 -11.253 13.040 1.00 21.15 O ATOM 0 H GLU A 566 -2.868 -14.949 10.299 1.00 21.32 H new ATOM 0 HA GLU A 566 -3.142 -12.679 11.972 1.00 45.32 H new ATOM 0 HB2 GLU A 566 -0.993 -13.630 11.131 1.00 71.00 H new ATOM 0 HB3 GLU A 566 -1.408 -13.104 9.512 1.00 71.00 H new ATOM 0 HG2 GLU A 566 0.151 -11.541 10.560 1.00 35.03 H new ATOM 0 HG3 GLU A 566 -1.380 -10.758 10.226 1.00 35.03 H new ATOM 978 N ILE A 567 -4.176 -10.872 10.621 1.00 73.21 N ATOM 979 CA ILE A 567 -4.948 -9.906 9.940 1.00 60.31 C ATOM 980 C ILE A 567 -4.152 -8.641 9.817 1.00 21.02 C ATOM 981 O ILE A 567 -2.953 -8.653 10.058 1.00 24.21 O ATOM 982 CB ILE A 567 -6.289 -9.589 10.653 1.00 30.22 C ATOM 983 CG1 ILE A 567 -6.060 -9.047 12.063 1.00 22.44 C ATOM 984 CG2 ILE A 567 -7.175 -10.818 10.698 1.00 42.32 C ATOM 985 CD1 ILE A 567 -7.281 -8.378 12.632 1.00 21.02 C ATOM 0 H ILE A 567 -3.939 -10.617 11.580 1.00 73.21 H new ATOM 0 HA ILE A 567 -5.191 -10.320 8.961 1.00 60.31 H new ATOM 0 HB ILE A 567 -6.793 -8.814 10.075 1.00 30.22 H new ATOM 0 HG12 ILE A 567 -5.760 -9.865 12.718 1.00 22.44 H new ATOM 0 HG13 ILE A 567 -5.235 -8.334 12.045 1.00 22.44 H new ATOM 0 HG21 ILE A 567 -8.110 -10.574 11.202 1.00 42.32 H new ATOM 0 HG22 ILE A 567 -7.387 -11.151 9.682 1.00 42.32 H new ATOM 0 HG23 ILE A 567 -6.666 -11.614 11.242 1.00 42.32 H new ATOM 0 HD11 ILE A 567 -7.061 -8.012 13.635 1.00 21.02 H new ATOM 0 HD12 ILE A 567 -7.568 -7.541 11.995 1.00 21.02 H new ATOM 0 HD13 ILE A 567 -8.100 -9.095 12.679 1.00 21.02 H new ATOM 997 N VAL A 568 -4.840 -7.625 9.341 1.00 12.44 N ATOM 998 CA VAL A 568 -4.461 -6.219 9.217 1.00 23.25 C ATOM 999 C VAL A 568 -3.009 -5.854 9.574 1.00 1.05 C ATOM 1000 O VAL A 568 -2.484 -6.151 10.653 1.00 32.44 O ATOM 1001 CB VAL A 568 -5.451 -5.342 10.029 1.00 54.02 C ATOM 1002 CG1 VAL A 568 -5.141 -5.299 11.515 1.00 4.40 C ATOM 1003 CG2 VAL A 568 -5.598 -3.966 9.450 1.00 24.24 C ATOM 0 H VAL A 568 -5.786 -7.774 8.990 1.00 12.44 H new ATOM 0 HA VAL A 568 -4.520 -6.016 8.148 1.00 23.25 H new ATOM 0 HB VAL A 568 -6.418 -5.837 9.939 1.00 54.02 H new ATOM 0 HG11 VAL A 568 -5.872 -4.668 12.021 1.00 4.40 H new ATOM 0 HG12 VAL A 568 -5.186 -6.308 11.925 1.00 4.40 H new ATOM 0 HG13 VAL A 568 -4.142 -4.890 11.667 1.00 4.40 H new ATOM 0 HG21 VAL A 568 -6.301 -3.391 10.053 1.00 24.24 H new ATOM 0 HG22 VAL A 568 -4.629 -3.467 9.447 1.00 24.24 H new ATOM 0 HG23 VAL A 568 -5.971 -4.039 8.429 1.00 24.24 H new ATOM 1013 N LYS A 569 -2.390 -5.182 8.697 1.00 32.21 N ATOM 1014 CA LYS A 569 -1.054 -4.744 8.943 1.00 4.34 C ATOM 1015 C LYS A 569 -0.983 -3.272 8.959 1.00 72.21 C ATOM 1016 O LYS A 569 -1.833 -2.599 8.367 1.00 33.11 O ATOM 1017 CB LYS A 569 -0.032 -5.330 7.971 1.00 32.04 C ATOM 1018 CG LYS A 569 0.198 -6.832 8.126 1.00 40.15 C ATOM 1019 CD LYS A 569 0.526 -7.214 9.560 1.00 45.41 C ATOM 1020 CE LYS A 569 1.742 -6.468 10.098 1.00 13.22 C ATOM 1021 NZ LYS A 569 1.953 -6.703 11.535 1.00 42.24 N ATOM 0 H LYS A 569 -2.775 -4.913 7.791 1.00 32.21 H new ATOM 0 HA LYS A 569 -0.784 -5.125 9.928 1.00 4.34 H new ATOM 0 HB2 LYS A 569 -0.361 -5.129 6.952 1.00 32.04 H new ATOM 0 HB3 LYS A 569 0.918 -4.813 8.107 1.00 32.04 H new ATOM 0 HG2 LYS A 569 -0.693 -7.370 7.802 1.00 40.15 H new ATOM 0 HG3 LYS A 569 1.013 -7.143 7.473 1.00 40.15 H new ATOM 0 HD2 LYS A 569 -0.335 -7.005 10.195 1.00 45.41 H new ATOM 0 HD3 LYS A 569 0.709 -8.287 9.614 1.00 45.41 H new ATOM 0 HE2 LYS A 569 2.629 -6.780 9.547 1.00 13.22 H new ATOM 0 HE3 LYS A 569 1.617 -5.400 9.922 1.00 13.22 H new ATOM 0 HZ1 LYS A 569 2.790 -6.175 11.854 1.00 42.24 H new ATOM 0 HZ2 LYS A 569 1.118 -6.381 12.066 1.00 42.24 H new ATOM 0 HZ3 LYS A 569 2.100 -7.719 11.703 1.00 42.24 H new ATOM 1035 N THR A 570 -0.020 -2.768 9.659 1.00 55.04 N ATOM 1036 CA THR A 570 0.199 -1.360 9.710 1.00 63.33 C ATOM 1037 C THR A 570 1.608 -0.999 9.360 1.00 0.03 C ATOM 1038 O THR A 570 2.563 -1.456 10.000 1.00 20.25 O ATOM 1039 CB THR A 570 -0.161 -0.730 11.069 1.00 0.40 C ATOM 1040 OG1 THR A 570 0.315 -1.526 12.175 1.00 2.32 O ATOM 1041 CG2 THR A 570 -1.641 -0.470 11.200 1.00 24.23 C ATOM 0 H THR A 570 0.636 -3.320 10.211 1.00 55.04 H new ATOM 0 HA THR A 570 -0.478 -0.948 8.962 1.00 63.33 H new ATOM 0 HB THR A 570 0.349 0.233 11.104 1.00 0.40 H new ATOM 0 HG1 THR A 570 0.664 -0.937 12.876 1.00 2.32 H new ATOM 0 HG21 THR A 570 -1.848 -0.026 12.174 1.00 24.23 H new ATOM 0 HG22 THR A 570 -1.961 0.214 10.414 1.00 24.23 H new ATOM 0 HG23 THR A 570 -2.185 -1.410 11.107 1.00 24.23 H new ATOM 1049 N ILE A 571 1.749 -0.203 8.347 1.00 31.13 N ATOM 1050 CA ILE A 571 3.034 0.327 8.025 1.00 3.22 C ATOM 1051 C ILE A 571 3.269 1.426 9.025 1.00 35.10 C ATOM 1052 O ILE A 571 2.468 2.349 9.119 1.00 63.41 O ATOM 1053 CB ILE A 571 3.152 0.896 6.567 1.00 31.34 C ATOM 1054 CG1 ILE A 571 3.033 -0.198 5.486 1.00 64.43 C ATOM 1055 CG2 ILE A 571 4.466 1.618 6.394 1.00 33.21 C ATOM 1056 CD1 ILE A 571 1.673 -0.815 5.338 1.00 2.55 C ATOM 0 H ILE A 571 0.992 0.093 7.731 1.00 31.13 H new ATOM 0 HA ILE A 571 3.775 -0.472 8.068 1.00 3.22 H new ATOM 0 HB ILE A 571 2.318 1.585 6.435 1.00 31.34 H new ATOM 0 HG12 ILE A 571 3.325 0.230 4.527 1.00 64.43 H new ATOM 0 HG13 ILE A 571 3.749 -0.988 5.713 1.00 64.43 H new ATOM 0 HG21 ILE A 571 4.536 2.008 5.379 1.00 33.21 H new ATOM 0 HG22 ILE A 571 4.524 2.443 7.104 1.00 33.21 H new ATOM 0 HG23 ILE A 571 5.288 0.925 6.574 1.00 33.21 H new ATOM 0 HD11 ILE A 571 1.700 -1.570 4.553 1.00 2.55 H new ATOM 0 HD12 ILE A 571 1.380 -1.280 6.279 1.00 2.55 H new ATOM 0 HD13 ILE A 571 0.950 -0.043 5.074 1.00 2.55 H new ATOM 1068 N SER A 572 4.280 1.278 9.815 1.00 20.32 N ATOM 1069 CA SER A 572 4.559 2.212 10.855 1.00 53.40 C ATOM 1070 C SER A 572 5.760 3.057 10.450 1.00 34.41 C ATOM 1071 O SER A 572 6.883 2.556 10.384 1.00 5.41 O ATOM 1072 CB SER A 572 4.838 1.415 12.120 1.00 63.10 C ATOM 1073 OG SER A 572 3.838 0.397 12.268 1.00 3.23 O ATOM 0 H SER A 572 4.939 0.502 9.757 1.00 20.32 H new ATOM 0 HA SER A 572 3.721 2.886 11.032 1.00 53.40 H new ATOM 0 HB2 SER A 572 5.829 0.963 12.068 1.00 63.10 H new ATOM 0 HB3 SER A 572 4.833 2.075 12.988 1.00 63.10 H new ATOM 0 HG SER A 572 4.015 -0.120 13.081 1.00 3.23 H new ATOM 1079 N VAL A 573 5.520 4.312 10.152 1.00 34.13 N ATOM 1080 CA VAL A 573 6.577 5.193 9.683 1.00 21.45 C ATOM 1081 C VAL A 573 6.835 6.285 10.703 1.00 13.01 C ATOM 1082 O VAL A 573 5.887 6.880 11.249 1.00 60.41 O ATOM 1083 CB VAL A 573 6.217 5.849 8.315 1.00 61.22 C ATOM 1084 CG1 VAL A 573 7.373 6.683 7.764 1.00 50.12 C ATOM 1085 CG2 VAL A 573 5.778 4.805 7.303 1.00 10.22 C ATOM 0 H VAL A 573 4.602 4.752 10.224 1.00 34.13 H new ATOM 0 HA VAL A 573 7.472 4.585 9.549 1.00 21.45 H new ATOM 0 HB VAL A 573 5.380 6.523 8.494 1.00 61.22 H new ATOM 0 HG11 VAL A 573 7.082 7.123 6.810 1.00 50.12 H new ATOM 0 HG12 VAL A 573 7.618 7.477 8.470 1.00 50.12 H new ATOM 0 HG13 VAL A 573 8.245 6.045 7.618 1.00 50.12 H new ATOM 0 HG21 VAL A 573 5.534 5.293 6.359 1.00 10.22 H new ATOM 0 HG22 VAL A 573 6.586 4.091 7.144 1.00 10.22 H new ATOM 0 HG23 VAL A 573 4.899 4.281 7.679 1.00 10.22 H new ATOM 1095 N LYS A 574 8.094 6.528 10.957 1.00 24.22 N ATOM 1096 CA LYS A 574 8.538 7.549 11.870 1.00 44.45 C ATOM 1097 C LYS A 574 8.743 8.861 11.128 1.00 62.22 C ATOM 1098 O LYS A 574 9.487 8.931 10.132 1.00 70.34 O ATOM 1099 CB LYS A 574 9.844 7.101 12.558 1.00 73.22 C ATOM 1100 CG LYS A 574 10.580 8.181 13.361 1.00 41.24 C ATOM 1101 CD LYS A 574 9.854 8.606 14.631 1.00 72.44 C ATOM 1102 CE LYS A 574 9.808 7.484 15.656 1.00 71.22 C ATOM 1103 NZ LYS A 574 9.403 7.972 16.990 1.00 63.34 N ATOM 0 H LYS A 574 8.858 6.009 10.524 1.00 24.22 H new ATOM 0 HA LYS A 574 7.777 7.704 12.635 1.00 44.45 H new ATOM 0 HB2 LYS A 574 9.614 6.271 13.226 1.00 73.22 H new ATOM 0 HB3 LYS A 574 10.521 6.717 11.795 1.00 73.22 H new ATOM 0 HG2 LYS A 574 11.570 7.811 13.626 1.00 41.24 H new ATOM 0 HG3 LYS A 574 10.726 9.056 12.727 1.00 41.24 H new ATOM 0 HD2 LYS A 574 10.354 9.473 15.063 1.00 72.44 H new ATOM 0 HD3 LYS A 574 8.838 8.914 14.383 1.00 72.44 H new ATOM 0 HE2 LYS A 574 9.109 6.717 15.323 1.00 71.22 H new ATOM 0 HE3 LYS A 574 10.789 7.014 15.724 1.00 71.22 H new ATOM 0 HZ1 LYS A 574 9.384 7.176 17.660 1.00 63.34 H new ATOM 0 HZ2 LYS A 574 10.083 8.686 17.320 1.00 63.34 H new ATOM 0 HZ3 LYS A 574 8.456 8.398 16.931 1.00 63.34 H new ATOM 1117 N VAL A 575 8.080 9.879 11.586 1.00 71.33 N ATOM 1118 CA VAL A 575 8.241 11.184 11.022 1.00 14.41 C ATOM 1119 C VAL A 575 9.278 11.919 11.848 1.00 52.51 C ATOM 1120 O VAL A 575 9.103 12.113 13.055 1.00 40.01 O ATOM 1121 CB VAL A 575 6.902 11.969 10.973 1.00 62.12 C ATOM 1122 CG1 VAL A 575 7.105 13.354 10.372 1.00 23.15 C ATOM 1123 CG2 VAL A 575 5.869 11.194 10.164 1.00 31.52 C ATOM 0 H VAL A 575 7.415 9.829 12.358 1.00 71.33 H new ATOM 0 HA VAL A 575 8.572 11.095 9.987 1.00 14.41 H new ATOM 0 HB VAL A 575 6.539 12.089 11.994 1.00 62.12 H new ATOM 0 HG11 VAL A 575 6.153 13.884 10.349 1.00 23.15 H new ATOM 0 HG12 VAL A 575 7.817 13.913 10.979 1.00 23.15 H new ATOM 0 HG13 VAL A 575 7.491 13.257 9.357 1.00 23.15 H new ATOM 0 HG21 VAL A 575 4.934 11.754 10.136 1.00 31.52 H new ATOM 0 HG22 VAL A 575 6.236 11.050 9.148 1.00 31.52 H new ATOM 0 HG23 VAL A 575 5.697 10.223 10.628 1.00 31.52 H new ATOM 1133 N ILE A 576 10.365 12.269 11.207 1.00 65.33 N ATOM 1134 CA ILE A 576 11.487 12.907 11.857 1.00 2.02 C ATOM 1135 C ILE A 576 11.158 14.375 12.045 1.00 74.41 C ATOM 1136 O ILE A 576 10.314 14.924 11.312 1.00 60.15 O ATOM 1137 CB ILE A 576 12.769 12.785 10.955 1.00 14.21 C ATOM 1138 CG1 ILE A 576 13.032 11.328 10.561 1.00 13.34 C ATOM 1139 CG2 ILE A 576 14.010 13.375 11.626 1.00 35.50 C ATOM 1140 CD1 ILE A 576 13.343 10.397 11.698 1.00 71.02 C ATOM 0 H ILE A 576 10.499 12.118 10.207 1.00 65.33 H new ATOM 0 HA ILE A 576 11.677 12.427 12.817 1.00 2.02 H new ATOM 0 HB ILE A 576 12.569 13.366 10.055 1.00 14.21 H new ATOM 0 HG12 ILE A 576 12.157 10.949 10.033 1.00 13.34 H new ATOM 0 HG13 ILE A 576 13.864 11.305 9.857 1.00 13.34 H new ATOM 0 HG21 ILE A 576 14.868 13.266 10.963 1.00 35.50 H new ATOM 0 HG22 ILE A 576 13.844 14.432 11.834 1.00 35.50 H new ATOM 0 HG23 ILE A 576 14.204 12.848 12.560 1.00 35.50 H new ATOM 0 HD11 ILE A 576 13.512 9.393 11.310 1.00 71.02 H new ATOM 0 HD12 ILE A 576 14.238 10.742 12.216 1.00 71.02 H new ATOM 0 HD13 ILE A 576 12.505 10.380 12.394 1.00 71.02 H new ATOM 1152 N ASP A 577 11.769 15.009 13.027 1.00 13.23 N ATOM 1153 CA ASP A 577 11.616 16.438 13.171 1.00 14.30 C ATOM 1154 C ASP A 577 12.377 17.156 12.087 1.00 15.31 C ATOM 1155 O ASP A 577 13.581 17.456 12.211 1.00 43.15 O ATOM 1156 CB ASP A 577 11.950 16.977 14.562 1.00 42.35 C ATOM 1157 CG ASP A 577 10.787 16.888 15.526 1.00 2.45 C ATOM 1158 OD1 ASP A 577 9.858 17.729 15.443 1.00 43.30 O ATOM 1159 OD2 ASP A 577 10.772 15.995 16.387 1.00 22.22 O ATOM 0 H ASP A 577 12.366 14.564 13.725 1.00 13.23 H new ATOM 0 HA ASP A 577 10.552 16.643 13.055 1.00 14.30 H new ATOM 0 HB2 ASP A 577 12.795 16.420 14.968 1.00 42.35 H new ATOM 0 HB3 ASP A 577 12.265 18.017 14.477 1.00 42.35 H new ATOM 1164 N ASP A 578 11.671 17.299 10.998 1.00 73.32 N ATOM 1165 CA ASP A 578 12.065 17.954 9.766 1.00 15.24 C ATOM 1166 C ASP A 578 12.848 19.234 9.992 1.00 43.22 C ATOM 1167 O ASP A 578 12.444 20.115 10.750 1.00 30.31 O ATOM 1168 CB ASP A 578 10.797 18.174 8.973 1.00 31.31 C ATOM 1169 CG ASP A 578 10.862 19.155 7.851 1.00 72.33 C ATOM 1170 OD1 ASP A 578 11.893 19.219 7.137 1.00 21.05 O ATOM 1171 OD2 ASP A 578 9.828 19.880 7.654 1.00 30.33 O ATOM 0 H ASP A 578 10.722 16.930 10.939 1.00 73.32 H new ATOM 0 HA ASP A 578 12.761 17.325 9.211 1.00 15.24 H new ATOM 0 HB2 ASP A 578 10.481 17.214 8.565 1.00 31.31 H new ATOM 0 HB3 ASP A 578 10.018 18.499 9.663 1.00 31.31 H new ATOM 1176 N GLU A 579 13.954 19.313 9.301 1.00 51.15 N ATOM 1177 CA GLU A 579 14.942 20.343 9.467 1.00 24.34 C ATOM 1178 C GLU A 579 14.531 21.707 8.889 1.00 35.25 C ATOM 1179 O GLU A 579 14.987 22.744 9.386 1.00 3.11 O ATOM 1180 CB GLU A 579 16.300 19.903 8.868 1.00 41.12 C ATOM 1181 CG GLU A 579 16.324 19.663 7.344 1.00 63.02 C ATOM 1182 CD GLU A 579 15.625 18.390 6.872 1.00 20.12 C ATOM 1183 OE1 GLU A 579 14.338 18.366 6.809 1.00 74.42 O ATOM 1184 OE2 GLU A 579 16.315 17.452 6.495 1.00 53.44 O ATOM 0 H GLU A 579 14.200 18.635 8.580 1.00 51.15 H new ATOM 0 HA GLU A 579 15.037 20.483 10.544 1.00 24.34 H new ATOM 0 HB2 GLU A 579 17.043 20.664 9.107 1.00 41.12 H new ATOM 0 HB3 GLU A 579 16.613 18.985 9.365 1.00 41.12 H new ATOM 0 HG2 GLU A 579 15.859 20.517 6.851 1.00 63.02 H new ATOM 0 HG3 GLU A 579 17.362 19.631 7.014 1.00 63.02 H new ATOM 1191 N GLU A 580 13.673 21.729 7.889 1.00 5.42 N ATOM 1192 CA GLU A 580 13.353 22.994 7.246 1.00 61.40 C ATOM 1193 C GLU A 580 11.861 23.239 7.263 1.00 51.32 C ATOM 1194 O GLU A 580 11.109 22.443 7.819 1.00 42.32 O ATOM 1195 CB GLU A 580 13.941 23.088 5.791 1.00 24.45 C ATOM 1196 CG GLU A 580 13.209 22.331 4.641 1.00 42.13 C ATOM 1197 CD GLU A 580 13.117 20.824 4.793 1.00 20.10 C ATOM 1198 OE1 GLU A 580 14.078 20.151 4.986 1.00 73.20 O ATOM 1199 OE2 GLU A 580 12.065 20.243 4.790 1.00 43.15 O ATOM 0 H GLU A 580 13.195 20.912 7.510 1.00 5.42 H new ATOM 0 HA GLU A 580 13.833 23.785 7.823 1.00 61.40 H new ATOM 0 HB2 GLU A 580 13.984 24.143 5.519 1.00 24.45 H new ATOM 0 HB3 GLU A 580 14.968 22.725 5.825 1.00 24.45 H new ATOM 0 HG2 GLU A 580 12.198 22.730 4.555 1.00 42.13 H new ATOM 0 HG3 GLU A 580 13.720 22.552 3.704 1.00 42.13 H new ATOM 1206 N TYR A 581 11.438 24.364 6.735 1.00 65.14 N ATOM 1207 CA TYR A 581 10.031 24.623 6.588 1.00 62.12 C ATOM 1208 C TYR A 581 9.640 23.993 5.263 1.00 3.51 C ATOM 1209 O TYR A 581 10.480 23.899 4.358 1.00 22.44 O ATOM 1210 CB TYR A 581 9.728 26.149 6.560 1.00 75.54 C ATOM 1211 CG TYR A 581 9.908 26.798 5.192 1.00 40.44 C ATOM 1212 CD1 TYR A 581 11.166 27.052 4.666 1.00 40.45 C ATOM 1213 CD2 TYR A 581 8.799 27.107 4.412 1.00 11.24 C ATOM 1214 CE1 TYR A 581 11.308 27.602 3.410 1.00 53.04 C ATOM 1215 CE2 TYR A 581 8.937 27.648 3.160 1.00 23.43 C ATOM 1216 CZ TYR A 581 10.183 27.894 2.659 1.00 54.04 C ATOM 1217 OH TYR A 581 10.308 28.438 1.397 1.00 12.14 O ATOM 0 H TYR A 581 12.048 25.110 6.402 1.00 65.14 H new ATOM 0 HA TYR A 581 9.471 24.212 7.428 1.00 62.12 H new ATOM 0 HB2 TYR A 581 8.703 26.311 6.894 1.00 75.54 H new ATOM 0 HB3 TYR A 581 10.379 26.650 7.276 1.00 75.54 H new ATOM 0 HD1 TYR A 581 12.045 26.816 5.248 1.00 40.45 H new ATOM 0 HD2 TYR A 581 7.809 26.917 4.800 1.00 11.24 H new ATOM 0 HE1 TYR A 581 12.292 27.804 3.014 1.00 53.04 H new ATOM 0 HE2 TYR A 581 8.062 27.879 2.571 1.00 23.43 H new ATOM 0 HH TYR A 581 9.418 28.578 1.012 1.00 12.14 H new ATOM 1227 N GLU A 582 8.441 23.577 5.118 1.00 52.33 N ATOM 1228 CA GLU A 582 8.053 22.978 3.871 1.00 75.31 C ATOM 1229 C GLU A 582 6.750 23.550 3.423 1.00 43.12 C ATOM 1230 O GLU A 582 6.113 24.316 4.156 1.00 11.42 O ATOM 1231 CB GLU A 582 7.929 21.469 4.032 1.00 60.22 C ATOM 1232 CG GLU A 582 6.746 21.033 4.844 1.00 20.43 C ATOM 1233 CD GLU A 582 6.882 19.639 5.277 1.00 13.12 C ATOM 1234 OE1 GLU A 582 7.564 19.423 6.283 1.00 54.34 O ATOM 1235 OE2 GLU A 582 6.351 18.742 4.651 1.00 51.32 O ATOM 0 H GLU A 582 7.710 23.632 5.827 1.00 52.33 H new ATOM 0 HA GLU A 582 8.815 23.190 3.121 1.00 75.31 H new ATOM 0 HB2 GLU A 582 7.865 21.013 3.044 1.00 60.22 H new ATOM 0 HB3 GLU A 582 8.837 21.089 4.500 1.00 60.22 H new ATOM 0 HG2 GLU A 582 6.643 21.679 5.716 1.00 20.43 H new ATOM 0 HG3 GLU A 582 5.836 21.146 4.255 1.00 20.43 H new ATOM 1242 N LYS A 583 6.360 23.215 2.230 1.00 54.25 N ATOM 1243 CA LYS A 583 5.057 23.590 1.765 1.00 31.13 C ATOM 1244 C LYS A 583 4.140 22.486 2.125 1.00 13.11 C ATOM 1245 O LYS A 583 3.118 22.667 2.771 1.00 21.32 O ATOM 1246 CB LYS A 583 5.044 23.877 0.270 1.00 72.20 C ATOM 1247 CG LYS A 583 6.074 24.906 -0.183 1.00 22.12 C ATOM 1248 CD LYS A 583 6.004 25.124 -1.687 1.00 34.33 C ATOM 1249 CE LYS A 583 7.082 26.078 -2.183 1.00 4.54 C ATOM 1250 NZ LYS A 583 8.449 25.528 -2.023 1.00 42.53 N ATOM 0 H LYS A 583 6.921 22.685 1.563 1.00 54.25 H new ATOM 0 HA LYS A 583 4.738 24.520 2.235 1.00 31.13 H new ATOM 0 HB2 LYS A 583 5.218 22.945 -0.268 1.00 72.20 H new ATOM 0 HB3 LYS A 583 4.051 24.227 -0.012 1.00 72.20 H new ATOM 0 HG2 LYS A 583 5.901 25.850 0.333 1.00 22.12 H new ATOM 0 HG3 LYS A 583 7.074 24.571 0.093 1.00 22.12 H new ATOM 0 HD2 LYS A 583 6.108 24.166 -2.196 1.00 34.33 H new ATOM 0 HD3 LYS A 583 5.023 25.520 -1.949 1.00 34.33 H new ATOM 0 HE2 LYS A 583 6.906 26.303 -3.235 1.00 4.54 H new ATOM 0 HE3 LYS A 583 7.007 27.019 -1.638 1.00 4.54 H new ATOM 0 HZ1 LYS A 583 9.128 26.135 -2.525 1.00 42.53 H new ATOM 0 HZ2 LYS A 583 8.694 25.496 -1.013 1.00 42.53 H new ATOM 0 HZ3 LYS A 583 8.485 24.567 -2.419 1.00 42.53 H new ATOM 1264 N ASN A 584 4.618 21.375 1.775 1.00 23.01 N ATOM 1265 CA ASN A 584 4.050 20.048 1.984 1.00 11.10 C ATOM 1266 C ASN A 584 4.913 19.015 1.292 1.00 50.15 C ATOM 1267 O ASN A 584 4.861 18.893 0.061 1.00 71.50 O ATOM 1268 CB ASN A 584 2.607 19.904 1.430 1.00 62.12 C ATOM 1269 CG ASN A 584 1.493 20.252 2.410 1.00 41.04 C ATOM 1270 OD1 ASN A 584 0.459 20.778 2.018 1.00 22.24 O ATOM 1271 ND2 ASN A 584 1.651 19.898 3.663 1.00 13.33 N ATOM 0 H ASN A 584 5.509 21.324 1.281 1.00 23.01 H new ATOM 0 HA ASN A 584 4.016 19.896 3.063 1.00 11.10 H new ATOM 0 HB2 ASN A 584 2.508 20.542 0.552 1.00 62.12 H new ATOM 0 HB3 ASN A 584 2.465 18.876 1.095 1.00 62.12 H new ATOM 0 HD21 ASN A 584 0.902 20.059 4.337 1.00 13.33 H new ATOM 0 HD22 ASN A 584 2.522 19.461 3.964 1.00 13.33 H new ATOM 1278 N LYS A 585 5.753 18.310 2.021 1.00 54.45 N ATOM 1279 CA LYS A 585 6.457 17.228 1.386 1.00 12.31 C ATOM 1280 C LYS A 585 5.650 15.952 1.510 1.00 63.24 C ATOM 1281 O LYS A 585 4.732 15.860 2.343 1.00 42.25 O ATOM 1282 CB LYS A 585 7.983 17.064 1.777 1.00 74.22 C ATOM 1283 CG LYS A 585 8.366 16.910 3.263 1.00 42.04 C ATOM 1284 CD LYS A 585 7.703 15.718 3.939 1.00 44.44 C ATOM 1285 CE LYS A 585 8.165 15.533 5.378 1.00 44.02 C ATOM 1286 NZ LYS A 585 8.310 16.812 6.085 1.00 42.22 N ATOM 0 H LYS A 585 5.956 18.459 3.009 1.00 54.45 H new ATOM 0 HA LYS A 585 6.537 17.493 0.332 1.00 12.31 H new ATOM 0 HB2 LYS A 585 8.366 16.192 1.247 1.00 74.22 H new ATOM 0 HB3 LYS A 585 8.516 17.932 1.389 1.00 74.22 H new ATOM 0 HG2 LYS A 585 9.448 16.807 3.343 1.00 42.04 H new ATOM 0 HG3 LYS A 585 8.092 17.820 3.797 1.00 42.04 H new ATOM 0 HD2 LYS A 585 6.621 15.850 3.922 1.00 44.44 H new ATOM 0 HD3 LYS A 585 7.922 14.814 3.371 1.00 44.44 H new ATOM 0 HE2 LYS A 585 7.449 14.906 5.909 1.00 44.02 H new ATOM 0 HE3 LYS A 585 9.119 15.006 5.386 1.00 44.02 H new ATOM 0 HZ1 LYS A 585 8.072 16.683 7.089 1.00 42.22 H new ATOM 0 HZ2 LYS A 585 9.292 17.145 6.002 1.00 42.22 H new ATOM 0 HZ3 LYS A 585 7.669 17.515 5.665 1.00 42.22 H new ATOM 1300 N THR A 586 5.959 14.993 0.702 1.00 4.55 N ATOM 1301 CA THR A 586 5.228 13.782 0.681 1.00 21.35 C ATOM 1302 C THR A 586 6.116 12.646 0.242 1.00 25.11 C ATOM 1303 O THR A 586 7.043 12.829 -0.566 1.00 42.01 O ATOM 1304 CB THR A 586 3.926 13.922 -0.207 1.00 63.02 C ATOM 1305 OG1 THR A 586 3.211 12.698 -0.317 1.00 65.40 O ATOM 1306 CG2 THR A 586 4.222 14.445 -1.589 1.00 62.41 C ATOM 0 H THR A 586 6.731 15.033 0.036 1.00 4.55 H new ATOM 0 HA THR A 586 4.887 13.552 1.690 1.00 21.35 H new ATOM 0 HB THR A 586 3.303 14.648 0.315 1.00 63.02 H new ATOM 0 HG1 THR A 586 3.333 12.173 0.502 1.00 65.40 H new ATOM 0 HG21 THR A 586 3.294 14.522 -2.156 1.00 62.41 H new ATOM 0 HG22 THR A 586 4.684 15.430 -1.514 1.00 62.41 H new ATOM 0 HG23 THR A 586 4.903 13.763 -2.098 1.00 62.41 H new ATOM 1314 N PHE A 587 5.884 11.527 0.852 1.00 40.40 N ATOM 1315 CA PHE A 587 6.548 10.306 0.556 1.00 74.34 C ATOM 1316 C PHE A 587 5.515 9.262 0.279 1.00 61.44 C ATOM 1317 O PHE A 587 4.405 9.306 0.841 1.00 52.32 O ATOM 1318 CB PHE A 587 7.562 9.880 1.646 1.00 72.22 C ATOM 1319 CG PHE A 587 7.180 10.158 3.085 1.00 60.44 C ATOM 1320 CD1 PHE A 587 6.260 9.375 3.778 1.00 42.24 C ATOM 1321 CD2 PHE A 587 7.794 11.192 3.755 1.00 2.12 C ATOM 1322 CE1 PHE A 587 5.979 9.640 5.114 1.00 44.34 C ATOM 1323 CE2 PHE A 587 7.510 11.455 5.074 1.00 43.12 C ATOM 1324 CZ PHE A 587 6.606 10.675 5.755 1.00 53.03 C ATOM 0 H PHE A 587 5.197 11.440 1.601 1.00 40.40 H new ATOM 0 HA PHE A 587 7.164 10.446 -0.333 1.00 74.34 H new ATOM 0 HB2 PHE A 587 7.740 8.810 1.543 1.00 72.22 H new ATOM 0 HB3 PHE A 587 8.508 10.382 1.443 1.00 72.22 H new ATOM 0 HD1 PHE A 587 5.763 8.558 3.276 1.00 42.24 H new ATOM 0 HD2 PHE A 587 8.512 11.808 3.235 1.00 2.12 H new ATOM 0 HE1 PHE A 587 5.265 9.029 5.647 1.00 44.34 H new ATOM 0 HE2 PHE A 587 7.998 12.277 5.577 1.00 43.12 H new ATOM 0 HZ PHE A 587 6.391 10.878 6.794 1.00 53.03 H new ATOM 1334 N PHE A 588 5.836 8.364 -0.593 1.00 0.15 N ATOM 1335 CA PHE A 588 4.875 7.412 -1.057 1.00 51.44 C ATOM 1336 C PHE A 588 5.158 6.070 -0.449 1.00 15.20 C ATOM 1337 O PHE A 588 6.301 5.663 -0.354 1.00 0.22 O ATOM 1338 CB PHE A 588 4.930 7.328 -2.588 1.00 70.23 C ATOM 1339 CG PHE A 588 5.110 8.674 -3.248 1.00 3.42 C ATOM 1340 CD1 PHE A 588 4.162 9.676 -3.111 1.00 23.25 C ATOM 1341 CD2 PHE A 588 6.248 8.937 -3.986 1.00 32.13 C ATOM 1342 CE1 PHE A 588 4.347 10.910 -3.697 1.00 52.04 C ATOM 1343 CE2 PHE A 588 6.440 10.167 -4.579 1.00 13.33 C ATOM 1344 CZ PHE A 588 5.489 11.157 -4.432 1.00 24.33 C ATOM 0 H PHE A 588 6.765 8.267 -1.003 1.00 0.15 H new ATOM 0 HA PHE A 588 3.876 7.728 -0.758 1.00 51.44 H new ATOM 0 HB2 PHE A 588 5.751 6.674 -2.881 1.00 70.23 H new ATOM 0 HB3 PHE A 588 4.011 6.870 -2.954 1.00 70.23 H new ATOM 0 HD1 PHE A 588 3.266 9.487 -2.538 1.00 23.25 H new ATOM 0 HD2 PHE A 588 6.998 8.168 -4.100 1.00 32.13 H new ATOM 0 HE1 PHE A 588 3.600 11.682 -3.581 1.00 52.04 H new ATOM 0 HE2 PHE A 588 7.332 10.356 -5.157 1.00 13.33 H new ATOM 0 HZ PHE A 588 5.638 12.123 -4.891 1.00 24.33 H new ATOM 1354 N LEU A 589 4.149 5.414 0.007 1.00 44.41 N ATOM 1355 CA LEU A 589 4.312 4.092 0.521 1.00 63.41 C ATOM 1356 C LEU A 589 3.775 3.164 -0.536 1.00 45.43 C ATOM 1357 O LEU A 589 2.639 3.331 -0.996 1.00 45.42 O ATOM 1358 CB LEU A 589 3.534 3.911 1.836 1.00 50.12 C ATOM 1359 CG LEU A 589 4.090 2.899 2.857 1.00 51.12 C ATOM 1360 CD1 LEU A 589 4.215 1.491 2.300 1.00 62.53 C ATOM 1361 CD2 LEU A 589 5.409 3.381 3.397 1.00 43.20 C ATOM 0 H LEU A 589 3.194 5.771 0.036 1.00 44.41 H new ATOM 0 HA LEU A 589 5.359 3.886 0.743 1.00 63.41 H new ATOM 0 HB2 LEU A 589 3.470 4.883 2.326 1.00 50.12 H new ATOM 0 HB3 LEU A 589 2.516 3.612 1.586 1.00 50.12 H new ATOM 0 HG LEU A 589 3.365 2.838 3.669 1.00 51.12 H new ATOM 0 HD11 LEU A 589 4.612 0.829 3.070 1.00 62.53 H new ATOM 0 HD12 LEU A 589 3.234 1.135 1.987 1.00 62.53 H new ATOM 0 HD13 LEU A 589 4.889 1.497 1.444 1.00 62.53 H new ATOM 0 HD21 LEU A 589 5.793 2.659 4.117 1.00 43.20 H new ATOM 0 HD22 LEU A 589 6.120 3.489 2.578 1.00 43.20 H new ATOM 0 HD23 LEU A 589 5.271 4.345 3.888 1.00 43.20 H new ATOM 1373 N GLU A 590 4.568 2.242 -0.955 1.00 12.14 N ATOM 1374 CA GLU A 590 4.140 1.324 -1.955 1.00 14.44 C ATOM 1375 C GLU A 590 4.461 -0.076 -1.521 1.00 53.55 C ATOM 1376 O GLU A 590 5.538 -0.339 -0.966 1.00 62.12 O ATOM 1377 CB GLU A 590 4.802 1.638 -3.300 1.00 42.34 C ATOM 1378 CG GLU A 590 4.295 0.797 -4.460 1.00 25.42 C ATOM 1379 CD GLU A 590 4.999 1.108 -5.752 1.00 70.14 C ATOM 1380 OE1 GLU A 590 4.594 2.065 -6.456 1.00 43.13 O ATOM 1381 OE2 GLU A 590 5.947 0.392 -6.110 1.00 25.13 O ATOM 0 H GLU A 590 5.521 2.102 -0.620 1.00 12.14 H new ATOM 0 HA GLU A 590 3.062 1.419 -2.084 1.00 14.44 H new ATOM 0 HB2 GLU A 590 4.642 2.691 -3.533 1.00 42.34 H new ATOM 0 HB3 GLU A 590 5.878 1.493 -3.204 1.00 42.34 H new ATOM 0 HG2 GLU A 590 4.428 -0.259 -4.223 1.00 25.42 H new ATOM 0 HG3 GLU A 590 3.225 0.964 -4.584 1.00 25.42 H new ATOM 1388 N ILE A 591 3.511 -0.942 -1.712 1.00 72.12 N ATOM 1389 CA ILE A 591 3.687 -2.334 -1.467 1.00 24.45 C ATOM 1390 C ILE A 591 3.956 -2.989 -2.803 1.00 11.23 C ATOM 1391 O ILE A 591 3.301 -2.659 -3.804 1.00 50.32 O ATOM 1392 CB ILE A 591 2.459 -2.976 -0.751 1.00 4.53 C ATOM 1393 CG1 ILE A 591 1.147 -2.706 -1.514 1.00 22.12 C ATOM 1394 CG2 ILE A 591 2.363 -2.481 0.690 1.00 11.04 C ATOM 1395 CD1 ILE A 591 -0.083 -3.322 -0.873 1.00 12.12 C ATOM 0 H ILE A 591 2.580 -0.693 -2.047 1.00 72.12 H new ATOM 0 HA ILE A 591 4.524 -2.485 -0.786 1.00 24.45 H new ATOM 0 HB ILE A 591 2.609 -4.056 -0.739 1.00 4.53 H new ATOM 0 HG12 ILE A 591 1.001 -1.629 -1.593 1.00 22.12 H new ATOM 0 HG13 ILE A 591 1.245 -3.090 -2.529 1.00 22.12 H new ATOM 0 HG21 ILE A 591 1.501 -2.939 1.175 1.00 11.04 H new ATOM 0 HG22 ILE A 591 3.270 -2.754 1.230 1.00 11.04 H new ATOM 0 HG23 ILE A 591 2.249 -1.397 0.696 1.00 11.04 H new ATOM 0 HD11 ILE A 591 -0.963 -3.085 -1.472 1.00 12.12 H new ATOM 0 HD12 ILE A 591 0.038 -4.404 -0.819 1.00 12.12 H new ATOM 0 HD13 ILE A 591 -0.209 -2.920 0.132 1.00 12.12 H new ATOM 1407 N GLY A 592 4.930 -3.845 -2.839 1.00 13.33 N ATOM 1408 CA GLY A 592 5.333 -4.446 -4.076 1.00 44.20 C ATOM 1409 C GLY A 592 4.609 -5.723 -4.368 1.00 33.15 C ATOM 1410 O GLY A 592 3.460 -5.906 -3.956 1.00 74.02 O ATOM 0 H GLY A 592 5.464 -4.145 -2.023 1.00 13.33 H new ATOM 0 HA2 GLY A 592 5.159 -3.742 -4.890 1.00 44.20 H new ATOM 0 HA3 GLY A 592 6.405 -4.641 -4.047 1.00 44.20 H new ATOM 1414 N GLU A 593 5.278 -6.600 -5.083 1.00 61.24 N ATOM 1415 CA GLU A 593 4.738 -7.889 -5.442 1.00 33.51 C ATOM 1416 C GLU A 593 4.587 -8.766 -4.198 1.00 52.23 C ATOM 1417 O GLU A 593 5.584 -9.055 -3.511 1.00 21.54 O ATOM 1418 CB GLU A 593 5.669 -8.586 -6.431 1.00 32.54 C ATOM 1419 CG GLU A 593 5.230 -9.987 -6.805 1.00 21.11 C ATOM 1420 CD GLU A 593 6.324 -10.795 -7.465 1.00 74.23 C ATOM 1421 OE1 GLU A 593 7.495 -10.717 -7.000 1.00 14.35 O ATOM 1422 OE2 GLU A 593 6.016 -11.575 -8.390 1.00 1.04 O ATOM 0 H GLU A 593 6.221 -6.435 -5.434 1.00 61.24 H new ATOM 0 HA GLU A 593 3.760 -7.738 -5.900 1.00 33.51 H new ATOM 0 HB2 GLU A 593 5.738 -7.983 -7.337 1.00 32.54 H new ATOM 0 HB3 GLU A 593 6.670 -8.632 -6.002 1.00 32.54 H new ATOM 0 HG2 GLU A 593 4.893 -10.507 -5.908 1.00 21.11 H new ATOM 0 HG3 GLU A 593 4.375 -9.926 -7.478 1.00 21.11 H new ATOM 1429 N PRO A 594 3.359 -9.182 -3.871 1.00 33.32 N ATOM 1430 CA PRO A 594 3.131 -10.088 -2.778 1.00 21.40 C ATOM 1431 C PRO A 594 3.653 -11.481 -3.142 1.00 53.14 C ATOM 1432 O PRO A 594 3.556 -11.923 -4.299 1.00 62.01 O ATOM 1433 CB PRO A 594 1.611 -10.082 -2.598 1.00 60.02 C ATOM 1434 CG PRO A 594 1.060 -9.647 -3.905 1.00 71.23 C ATOM 1435 CD PRO A 594 2.111 -8.798 -4.553 1.00 64.04 C ATOM 0 HA PRO A 594 3.645 -9.801 -1.861 1.00 21.40 H new ATOM 0 HB2 PRO A 594 1.244 -11.072 -2.327 1.00 60.02 H new ATOM 0 HB3 PRO A 594 1.313 -9.402 -1.800 1.00 60.02 H new ATOM 0 HG2 PRO A 594 0.818 -10.507 -4.529 1.00 71.23 H new ATOM 0 HG3 PRO A 594 0.137 -9.083 -3.768 1.00 71.23 H new ATOM 0 HD2 PRO A 594 2.169 -8.986 -5.625 1.00 64.04 H new ATOM 0 HD3 PRO A 594 1.899 -7.736 -4.427 1.00 64.04 H new ATOM 1443 N ARG A 595 4.197 -12.156 -2.189 1.00 71.03 N ATOM 1444 CA ARG A 595 4.826 -13.425 -2.429 1.00 15.55 C ATOM 1445 C ARG A 595 4.172 -14.519 -1.613 1.00 43.34 C ATOM 1446 O ARG A 595 4.054 -14.410 -0.382 1.00 73.34 O ATOM 1447 CB ARG A 595 6.341 -13.322 -2.173 1.00 1.32 C ATOM 1448 CG ARG A 595 6.707 -12.667 -0.847 1.00 41.53 C ATOM 1449 CD ARG A 595 8.212 -12.525 -0.650 1.00 33.04 C ATOM 1450 NE ARG A 595 8.873 -11.842 -1.774 1.00 34.41 N ATOM 1451 CZ ARG A 595 10.088 -11.294 -1.726 1.00 32.32 C ATOM 1452 NH1 ARG A 595 10.625 -10.914 -0.573 1.00 2.10 N ATOM 1453 NH2 ARG A 595 10.718 -11.026 -2.843 1.00 1.32 N ATOM 0 H ARG A 595 4.223 -11.850 -1.216 1.00 71.03 H new ATOM 0 HA ARG A 595 4.689 -13.698 -3.475 1.00 15.55 H new ATOM 0 HB2 ARG A 595 6.772 -14.323 -2.202 1.00 1.32 H new ATOM 0 HB3 ARG A 595 6.797 -12.755 -2.984 1.00 1.32 H new ATOM 0 HG2 ARG A 595 6.244 -11.681 -0.795 1.00 41.53 H new ATOM 0 HG3 ARG A 595 6.293 -13.257 -0.030 1.00 41.53 H new ATOM 0 HD2 ARG A 595 8.403 -11.970 0.269 1.00 33.04 H new ATOM 0 HD3 ARG A 595 8.652 -13.514 -0.523 1.00 33.04 H new ATOM 0 HE ARG A 595 8.364 -11.783 -2.656 1.00 34.41 H new ATOM 0 HH11 ARG A 595 10.107 -11.039 0.297 1.00 2.10 H new ATOM 0 HH12 ARG A 595 11.556 -10.497 -0.557 1.00 2.10 H new ATOM 0 HH21 ARG A 595 10.279 -11.236 -3.739 1.00 1.32 H new ATOM 0 HH22 ARG A 595 11.648 -10.607 -2.816 1.00 1.32 H new ATOM 1467 N LEU A 596 3.691 -15.530 -2.300 1.00 32.31 N ATOM 1468 CA LEU A 596 3.041 -16.651 -1.672 1.00 12.44 C ATOM 1469 C LEU A 596 4.126 -17.567 -1.120 1.00 51.55 C ATOM 1470 O LEU A 596 4.989 -18.024 -1.864 1.00 55.32 O ATOM 1471 CB LEU A 596 2.225 -17.432 -2.711 1.00 1.21 C ATOM 1472 CG LEU A 596 0.864 -18.001 -2.266 1.00 24.15 C ATOM 1473 CD1 LEU A 596 0.871 -18.511 -0.840 1.00 0.52 C ATOM 1474 CD2 LEU A 596 -0.252 -17.014 -2.514 1.00 32.15 C ATOM 0 H LEU A 596 3.742 -15.595 -3.317 1.00 32.31 H new ATOM 0 HA LEU A 596 2.376 -16.302 -0.882 1.00 12.44 H new ATOM 0 HB2 LEU A 596 2.053 -16.777 -3.565 1.00 1.21 H new ATOM 0 HB3 LEU A 596 2.837 -18.262 -3.065 1.00 1.21 H new ATOM 0 HG LEU A 596 0.674 -18.875 -2.889 1.00 24.15 H new ATOM 0 HD11 LEU A 596 -0.116 -18.898 -0.587 1.00 0.52 H new ATOM 0 HD12 LEU A 596 1.609 -19.307 -0.742 1.00 0.52 H new ATOM 0 HD13 LEU A 596 1.125 -17.695 -0.163 1.00 0.52 H new ATOM 0 HD21 LEU A 596 -1.199 -17.446 -2.189 1.00 32.15 H new ATOM 0 HD22 LEU A 596 -0.060 -16.099 -1.954 1.00 32.15 H new ATOM 0 HD23 LEU A 596 -0.304 -16.784 -3.578 1.00 32.15 H new ATOM 1486 N VAL A 597 4.087 -17.823 0.157 1.00 52.42 N ATOM 1487 CA VAL A 597 5.099 -18.657 0.788 1.00 73.32 C ATOM 1488 C VAL A 597 4.630 -20.110 0.831 1.00 62.01 C ATOM 1489 O VAL A 597 5.385 -21.047 0.532 1.00 60.21 O ATOM 1490 CB VAL A 597 5.376 -18.191 2.239 1.00 31.04 C ATOM 1491 CG1 VAL A 597 6.586 -18.892 2.825 1.00 53.10 C ATOM 1492 CG2 VAL A 597 5.526 -16.685 2.315 1.00 50.13 C ATOM 0 H VAL A 597 3.370 -17.471 0.791 1.00 52.42 H new ATOM 0 HA VAL A 597 6.012 -18.571 0.199 1.00 73.32 H new ATOM 0 HB VAL A 597 4.511 -18.469 2.841 1.00 31.04 H new ATOM 0 HG11 VAL A 597 6.752 -18.541 3.844 1.00 53.10 H new ATOM 0 HG12 VAL A 597 6.414 -19.968 2.835 1.00 53.10 H new ATOM 0 HG13 VAL A 597 7.464 -18.671 2.218 1.00 53.10 H new ATOM 0 HG21 VAL A 597 5.720 -16.390 3.346 1.00 50.13 H new ATOM 0 HG22 VAL A 597 6.358 -16.370 1.685 1.00 50.13 H new ATOM 0 HG23 VAL A 597 4.608 -16.210 1.968 1.00 50.13 H new ATOM 2055 N ARG A 633 -0.608 -17.331 -7.667 1.00 31.50 N ATOM 2056 CA ARG A 633 0.074 -16.160 -7.125 1.00 70.52 C ATOM 2057 C ARG A 633 -0.900 -15.073 -6.712 1.00 5.44 C ATOM 2058 O ARG A 633 -1.987 -14.984 -7.255 1.00 32.40 O ATOM 2059 CB ARG A 633 0.977 -15.579 -8.196 1.00 41.34 C ATOM 2060 CG ARG A 633 2.109 -16.465 -8.602 1.00 34.23 C ATOM 2061 CD ARG A 633 2.766 -15.925 -9.837 1.00 44.10 C ATOM 2062 NE ARG A 633 3.997 -16.632 -10.134 1.00 21.14 N ATOM 2063 CZ ARG A 633 4.351 -17.170 -11.288 1.00 11.22 C ATOM 2064 NH1 ARG A 633 3.484 -17.304 -12.282 1.00 42.54 N ATOM 2065 NH2 ARG A 633 5.566 -17.621 -11.413 1.00 34.21 N ATOM 0 HA ARG A 633 0.634 -16.484 -6.248 1.00 70.52 H new ATOM 0 HB2 ARG A 633 0.376 -15.353 -9.077 1.00 41.34 H new ATOM 0 HB3 ARG A 633 1.383 -14.634 -7.837 1.00 41.34 H new ATOM 0 HG2 ARG A 633 2.837 -16.533 -7.793 1.00 34.23 H new ATOM 0 HG3 ARG A 633 1.743 -17.475 -8.787 1.00 34.23 H new ATOM 0 HD2 ARG A 633 2.082 -16.011 -10.682 1.00 44.10 H new ATOM 0 HD3 ARG A 633 2.977 -14.864 -9.704 1.00 44.10 H new ATOM 0 HE ARG A 633 4.663 -16.724 -9.367 1.00 21.14 H new ATOM 0 HH11 ARG A 633 2.521 -16.989 -12.165 1.00 42.54 H new ATOM 0 HH12 ARG A 633 3.780 -17.722 -13.164 1.00 42.54 H new ATOM 0 HH21 ARG A 633 6.218 -17.554 -10.631 1.00 34.21 H new ATOM 0 HH22 ARG A 633 5.866 -18.041 -12.293 1.00 34.21 H new ATOM 2079 N PRO A 634 -0.514 -14.224 -5.749 1.00 70.02 N ATOM 2080 CA PRO A 634 -1.303 -13.084 -5.355 1.00 31.15 C ATOM 2081 C PRO A 634 -0.942 -11.834 -6.193 1.00 53.52 C ATOM 2082 O PRO A 634 0.075 -11.828 -6.898 1.00 41.41 O ATOM 2083 CB PRO A 634 -0.928 -12.905 -3.893 1.00 2.01 C ATOM 2084 CG PRO A 634 0.470 -13.448 -3.762 1.00 4.55 C ATOM 2085 CD PRO A 634 0.732 -14.317 -4.964 1.00 41.44 C ATOM 0 HA PRO A 634 -2.373 -13.224 -5.508 1.00 31.15 H new ATOM 0 HB2 PRO A 634 -0.969 -11.855 -3.604 1.00 2.01 H new ATOM 0 HB3 PRO A 634 -1.619 -13.442 -3.243 1.00 2.01 H new ATOM 0 HG2 PRO A 634 1.194 -12.635 -3.712 1.00 4.55 H new ATOM 0 HG3 PRO A 634 0.573 -14.024 -2.842 1.00 4.55 H new ATOM 0 HD2 PRO A 634 1.591 -13.962 -5.534 1.00 41.44 H new ATOM 0 HD3 PRO A 634 0.945 -15.346 -4.674 1.00 41.44 H new ATOM 2093 N ILE A 635 -1.749 -10.781 -6.106 1.00 62.34 N ATOM 2094 CA ILE A 635 -1.544 -9.587 -6.928 1.00 53.34 C ATOM 2095 C ILE A 635 -1.885 -8.284 -6.203 1.00 30.14 C ATOM 2096 O ILE A 635 -2.311 -8.289 -5.041 1.00 52.41 O ATOM 2097 CB ILE A 635 -2.282 -9.652 -8.322 1.00 45.13 C ATOM 2098 CG1 ILE A 635 -3.730 -10.213 -8.235 1.00 33.43 C ATOM 2099 CG2 ILE A 635 -1.467 -10.417 -9.357 1.00 40.43 C ATOM 2100 CD1 ILE A 635 -4.730 -9.361 -7.476 1.00 2.10 C ATOM 0 H ILE A 635 -2.550 -10.727 -5.477 1.00 62.34 H new ATOM 0 HA ILE A 635 -0.472 -9.581 -7.125 1.00 53.34 H new ATOM 0 HB ILE A 635 -2.372 -8.616 -8.649 1.00 45.13 H new ATOM 0 HG12 ILE A 635 -4.103 -10.359 -9.249 1.00 33.43 H new ATOM 0 HG13 ILE A 635 -3.690 -11.196 -7.765 1.00 33.43 H new ATOM 0 HG21 ILE A 635 -2.009 -10.439 -10.303 1.00 40.43 H new ATOM 0 HG22 ILE A 635 -0.506 -9.923 -9.501 1.00 40.43 H new ATOM 0 HG23 ILE A 635 -1.302 -11.437 -9.009 1.00 40.43 H new ATOM 0 HD11 ILE A 635 -5.704 -9.851 -7.481 1.00 2.10 H new ATOM 0 HD12 ILE A 635 -4.393 -9.234 -6.447 1.00 2.10 H new ATOM 0 HD13 ILE A 635 -4.813 -8.385 -7.954 1.00 2.10 H new ATOM 2112 N LEU A 636 -1.687 -7.180 -6.895 1.00 32.25 N ATOM 2113 CA LEU A 636 -1.982 -5.874 -6.360 1.00 5.44 C ATOM 2114 C LEU A 636 -3.471 -5.594 -6.541 1.00 11.44 C ATOM 2115 O LEU A 636 -4.090 -6.083 -7.493 1.00 45.22 O ATOM 2116 CB LEU A 636 -1.061 -4.764 -7.007 1.00 2.33 C ATOM 2117 CG LEU A 636 -1.316 -4.251 -8.468 1.00 4.03 C ATOM 2118 CD1 LEU A 636 -1.643 -5.349 -9.462 1.00 24.40 C ATOM 2119 CD2 LEU A 636 -2.341 -3.122 -8.513 1.00 44.04 C ATOM 0 H LEU A 636 -1.316 -7.167 -7.845 1.00 32.25 H new ATOM 0 HA LEU A 636 -1.758 -5.850 -5.293 1.00 5.44 H new ATOM 0 HB2 LEU A 636 -1.102 -3.894 -6.352 1.00 2.33 H new ATOM 0 HB3 LEU A 636 -0.038 -5.140 -6.975 1.00 2.33 H new ATOM 0 HG LEU A 636 -0.360 -3.841 -8.793 1.00 4.03 H new ATOM 0 HD11 LEU A 636 -1.805 -4.912 -10.447 1.00 24.40 H new ATOM 0 HD12 LEU A 636 -0.814 -6.055 -9.510 1.00 24.40 H new ATOM 0 HD13 LEU A 636 -2.545 -5.871 -9.144 1.00 24.40 H new ATOM 0 HD21 LEU A 636 -2.483 -2.801 -9.545 1.00 44.04 H new ATOM 0 HD22 LEU A 636 -3.290 -3.475 -8.109 1.00 44.04 H new ATOM 0 HD23 LEU A 636 -1.983 -2.282 -7.918 1.00 44.04 H new ATOM 2131 N GLY A 637 -4.037 -4.858 -5.640 1.00 21.53 N ATOM 2132 CA GLY A 637 -5.451 -4.604 -5.681 1.00 35.44 C ATOM 2133 C GLY A 637 -5.840 -3.374 -6.451 1.00 10.53 C ATOM 2134 O GLY A 637 -5.433 -3.188 -7.596 1.00 24.24 O ATOM 0 H GLY A 637 -3.545 -4.418 -4.862 1.00 21.53 H new ATOM 0 HA2 GLY A 637 -5.950 -5.467 -6.122 1.00 35.44 H new ATOM 0 HA3 GLY A 637 -5.820 -4.510 -4.660 1.00 35.44 H new ATOM 2138 N GLU A 638 -6.624 -2.544 -5.820 1.00 71.12 N ATOM 2139 CA GLU A 638 -7.161 -1.365 -6.439 1.00 22.44 C ATOM 2140 C GLU A 638 -6.089 -0.305 -6.640 1.00 21.00 C ATOM 2141 O GLU A 638 -5.846 0.146 -7.766 1.00 32.33 O ATOM 2142 CB GLU A 638 -8.328 -0.832 -5.600 1.00 54.53 C ATOM 2143 CG GLU A 638 -9.067 0.341 -6.219 1.00 14.31 C ATOM 2144 CD GLU A 638 -9.587 0.019 -7.592 1.00 43.14 C ATOM 2145 OE1 GLU A 638 -10.618 -0.665 -7.710 1.00 44.54 O ATOM 2146 OE2 GLU A 638 -8.957 0.414 -8.576 1.00 32.14 O ATOM 0 H GLU A 638 -6.911 -2.669 -4.849 1.00 71.12 H new ATOM 0 HA GLU A 638 -7.533 -1.627 -7.430 1.00 22.44 H new ATOM 0 HB2 GLU A 638 -9.037 -1.643 -5.431 1.00 54.53 H new ATOM 0 HB3 GLU A 638 -7.949 -0.531 -4.623 1.00 54.53 H new ATOM 0 HG2 GLU A 638 -9.898 0.626 -5.574 1.00 14.31 H new ATOM 0 HG3 GLU A 638 -8.399 1.200 -6.277 1.00 14.31 H new ATOM 2153 N HIS A 639 -5.448 0.078 -5.576 1.00 1.52 N ATOM 2154 CA HIS A 639 -4.420 1.079 -5.649 1.00 44.22 C ATOM 2155 C HIS A 639 -3.313 0.812 -4.665 1.00 72.52 C ATOM 2156 O HIS A 639 -3.492 0.898 -3.436 1.00 14.45 O ATOM 2157 CB HIS A 639 -4.973 2.532 -5.521 1.00 40.15 C ATOM 2158 CG HIS A 639 -5.886 2.789 -4.345 1.00 33.23 C ATOM 2159 ND1 HIS A 639 -5.455 2.989 -3.052 1.00 13.43 N ATOM 2160 CD2 HIS A 639 -7.237 2.875 -4.300 1.00 71.15 C ATOM 2161 CE1 HIS A 639 -6.526 3.181 -2.286 1.00 11.33 C ATOM 2162 NE2 HIS A 639 -7.640 3.122 -2.995 1.00 34.21 N ATOM 0 H HIS A 639 -5.619 -0.289 -4.640 1.00 1.52 H new ATOM 0 HA HIS A 639 -3.994 1.006 -6.650 1.00 44.22 H new ATOM 0 HB2 HIS A 639 -4.128 3.217 -5.457 1.00 40.15 H new ATOM 0 HB3 HIS A 639 -5.513 2.777 -6.436 1.00 40.15 H new ATOM 0 HD2 HIS A 639 -7.898 2.768 -5.148 1.00 71.15 H new ATOM 0 HE1 HIS A 639 -6.490 3.362 -1.222 1.00 11.33 H new ATOM 0 HE2 HIS A 639 -8.595 3.234 -2.655 1.00 34.21 H new ATOM 2170 N THR A 640 -2.189 0.439 -5.178 1.00 71.35 N ATOM 2171 CA THR A 640 -1.066 0.266 -4.363 1.00 32.53 C ATOM 2172 C THR A 640 -0.183 1.488 -4.523 1.00 31.11 C ATOM 2173 O THR A 640 0.664 1.565 -5.424 1.00 45.54 O ATOM 2174 CB THR A 640 -0.333 -1.051 -4.709 1.00 60.52 C ATOM 2175 OG1 THR A 640 -0.044 -1.102 -6.122 1.00 73.34 O ATOM 2176 CG2 THR A 640 -1.218 -2.235 -4.352 1.00 45.20 C ATOM 0 H THR A 640 -2.037 0.250 -6.169 1.00 71.35 H new ATOM 0 HA THR A 640 -1.357 0.176 -3.316 1.00 32.53 H new ATOM 0 HB THR A 640 0.598 -1.092 -4.143 1.00 60.52 H new ATOM 0 HG1 THR A 640 0.298 -0.232 -6.418 1.00 73.34 H new ATOM 0 HG21 THR A 640 -0.701 -3.163 -4.596 1.00 45.20 H new ATOM 0 HG22 THR A 640 -1.441 -2.214 -3.285 1.00 45.20 H new ATOM 0 HG23 THR A 640 -2.148 -2.178 -4.918 1.00 45.20 H new ATOM 2184 N LYS A 641 -0.446 2.450 -3.668 1.00 4.02 N ATOM 2185 CA LYS A 641 0.208 3.728 -3.640 1.00 21.45 C ATOM 2186 C LYS A 641 -0.404 4.454 -2.470 1.00 22.11 C ATOM 2187 O LYS A 641 -1.628 4.523 -2.359 1.00 13.35 O ATOM 2188 CB LYS A 641 -0.100 4.522 -4.951 1.00 11.11 C ATOM 2189 CG LYS A 641 0.794 5.758 -5.258 1.00 12.12 C ATOM 2190 CD LYS A 641 0.663 6.886 -4.242 1.00 3.34 C ATOM 2191 CE LYS A 641 1.512 8.098 -4.621 1.00 22.12 C ATOM 2192 NZ LYS A 641 0.996 8.822 -5.808 1.00 64.20 N ATOM 0 H LYS A 641 -1.155 2.353 -2.942 1.00 4.02 H new ATOM 0 HA LYS A 641 1.290 3.626 -3.557 1.00 21.45 H new ATOM 0 HB2 LYS A 641 -0.022 3.831 -5.791 1.00 11.11 H new ATOM 0 HB3 LYS A 641 -1.137 4.857 -4.908 1.00 11.11 H new ATOM 0 HG2 LYS A 641 1.835 5.439 -5.299 1.00 12.12 H new ATOM 0 HG3 LYS A 641 0.539 6.141 -6.246 1.00 12.12 H new ATOM 0 HD2 LYS A 641 -0.382 7.185 -4.165 1.00 3.34 H new ATOM 0 HD3 LYS A 641 0.964 6.525 -3.259 1.00 3.34 H new ATOM 0 HE2 LYS A 641 1.554 8.784 -3.775 1.00 22.12 H new ATOM 0 HE3 LYS A 641 2.533 7.772 -4.818 1.00 22.12 H new ATOM 0 HZ1 LYS A 641 1.773 8.985 -6.480 1.00 64.20 H new ATOM 0 HZ2 LYS A 641 0.255 8.254 -6.266 1.00 64.20 H new ATOM 0 HZ3 LYS A 641 0.598 9.736 -5.511 1.00 64.20 H new ATOM 2206 N LEU A 642 0.407 4.912 -1.592 1.00 53.22 N ATOM 2207 CA LEU A 642 -0.040 5.708 -0.494 1.00 2.13 C ATOM 2208 C LEU A 642 0.724 6.995 -0.509 1.00 74.14 C ATOM 2209 O LEU A 642 1.929 7.013 -0.296 1.00 5.14 O ATOM 2210 CB LEU A 642 0.187 5.010 0.825 1.00 10.24 C ATOM 2211 CG LEU A 642 -0.195 5.815 2.060 1.00 60.20 C ATOM 2212 CD1 LEU A 642 -1.698 5.967 2.205 1.00 34.12 C ATOM 2213 CD2 LEU A 642 0.408 5.218 3.287 1.00 72.31 C ATOM 0 H LEU A 642 1.413 4.747 -1.608 1.00 53.22 H new ATOM 0 HA LEU A 642 -1.111 5.884 -0.598 1.00 2.13 H new ATOM 0 HB2 LEU A 642 -0.381 4.080 0.828 1.00 10.24 H new ATOM 0 HB3 LEU A 642 1.241 4.741 0.898 1.00 10.24 H new ATOM 0 HG LEU A 642 0.211 6.818 1.930 1.00 60.20 H new ATOM 0 HD11 LEU A 642 -1.920 6.548 3.100 1.00 34.12 H new ATOM 0 HD12 LEU A 642 -2.098 6.480 1.330 1.00 34.12 H new ATOM 0 HD13 LEU A 642 -2.157 4.982 2.289 1.00 34.12 H new ATOM 0 HD21 LEU A 642 0.122 5.809 4.157 1.00 72.31 H new ATOM 0 HD22 LEU A 642 0.049 4.196 3.409 1.00 72.31 H new ATOM 0 HD23 LEU A 642 1.494 5.212 3.193 1.00 72.31 H new ATOM 2225 N GLU A 643 0.051 8.034 -0.803 1.00 42.21 N ATOM 2226 CA GLU A 643 0.627 9.326 -0.873 1.00 44.51 C ATOM 2227 C GLU A 643 0.438 9.984 0.483 1.00 75.31 C ATOM 2228 O GLU A 643 -0.672 10.381 0.848 1.00 24.45 O ATOM 2229 CB GLU A 643 -0.098 10.084 -1.971 1.00 11.35 C ATOM 2230 CG GLU A 643 0.589 11.310 -2.499 1.00 43.40 C ATOM 2231 CD GLU A 643 -0.171 11.874 -3.667 1.00 11.55 C ATOM 2232 OE1 GLU A 643 -0.213 11.216 -4.740 1.00 70.31 O ATOM 2233 OE2 GLU A 643 -0.743 12.973 -3.551 1.00 14.42 O ATOM 0 H GLU A 643 -0.948 8.016 -1.009 1.00 42.21 H new ATOM 0 HA GLU A 643 1.692 9.305 -1.104 1.00 44.51 H new ATOM 0 HB2 GLU A 643 -0.267 9.401 -2.804 1.00 11.35 H new ATOM 0 HB3 GLU A 643 -1.078 10.377 -1.595 1.00 11.35 H new ATOM 0 HG2 GLU A 643 0.666 12.059 -1.711 1.00 43.40 H new ATOM 0 HG3 GLU A 643 1.606 11.062 -2.804 1.00 43.40 H new ATOM 2240 N VAL A 644 1.481 9.995 1.270 1.00 50.21 N ATOM 2241 CA VAL A 644 1.420 10.577 2.583 1.00 15.23 C ATOM 2242 C VAL A 644 1.861 12.000 2.502 1.00 15.20 C ATOM 2243 O VAL A 644 3.030 12.256 2.258 1.00 13.01 O ATOM 2244 CB VAL A 644 2.363 9.855 3.560 1.00 23.30 C ATOM 2245 CG1 VAL A 644 2.197 10.397 4.975 1.00 4.04 C ATOM 2246 CG2 VAL A 644 2.145 8.361 3.511 1.00 75.41 C ATOM 0 H VAL A 644 2.390 9.604 1.021 1.00 50.21 H new ATOM 0 HA VAL A 644 0.394 10.491 2.941 1.00 15.23 H new ATOM 0 HB VAL A 644 3.390 10.049 3.251 1.00 23.30 H new ATOM 0 HG11 VAL A 644 2.874 9.871 5.648 1.00 4.04 H new ATOM 0 HG12 VAL A 644 2.429 11.462 4.986 1.00 4.04 H new ATOM 0 HG13 VAL A 644 1.169 10.246 5.304 1.00 4.04 H new ATOM 0 HG21 VAL A 644 2.823 7.871 4.210 1.00 75.41 H new ATOM 0 HG22 VAL A 644 1.115 8.134 3.785 1.00 75.41 H new ATOM 0 HG23 VAL A 644 2.340 7.998 2.502 1.00 75.41 H new ATOM 2256 N ILE A 645 0.952 12.913 2.645 1.00 2.44 N ATOM 2257 CA ILE A 645 1.303 14.301 2.652 1.00 72.24 C ATOM 2258 C ILE A 645 1.493 14.728 4.096 1.00 63.33 C ATOM 2259 O ILE A 645 0.589 14.574 4.935 1.00 21.34 O ATOM 2260 CB ILE A 645 0.259 15.223 1.934 1.00 72.32 C ATOM 2261 CG1 ILE A 645 0.109 14.868 0.439 1.00 42.33 C ATOM 2262 CG2 ILE A 645 0.643 16.688 2.075 1.00 54.20 C ATOM 2263 CD1 ILE A 645 -0.771 13.671 0.146 1.00 43.30 C ATOM 0 H ILE A 645 -0.044 12.722 2.759 1.00 2.44 H new ATOM 0 HA ILE A 645 2.224 14.418 2.080 1.00 72.24 H new ATOM 0 HB ILE A 645 -0.701 15.054 2.422 1.00 72.32 H new ATOM 0 HG12 ILE A 645 -0.296 15.734 -0.085 1.00 42.33 H new ATOM 0 HG13 ILE A 645 1.100 14.680 0.025 1.00 42.33 H new ATOM 0 HG21 ILE A 645 -0.097 17.308 1.569 1.00 54.20 H new ATOM 0 HG22 ILE A 645 0.678 16.955 3.131 1.00 54.20 H new ATOM 0 HG23 ILE A 645 1.623 16.852 1.626 1.00 54.20 H new ATOM 0 HD11 ILE A 645 -0.812 13.504 -0.930 1.00 43.30 H new ATOM 0 HD12 ILE A 645 -0.359 12.788 0.635 1.00 43.30 H new ATOM 0 HD13 ILE A 645 -1.777 13.858 0.523 1.00 43.30 H new ATOM 2275 N ILE A 646 2.657 15.215 4.391 1.00 61.45 N ATOM 2276 CA ILE A 646 3.005 15.581 5.730 1.00 75.11 C ATOM 2277 C ILE A 646 2.855 17.066 5.833 1.00 73.42 C ATOM 2278 O ILE A 646 3.256 17.802 4.921 1.00 33.03 O ATOM 2279 CB ILE A 646 4.480 15.162 6.115 1.00 21.00 C ATOM 2280 CG1 ILE A 646 4.757 13.676 5.840 1.00 74.20 C ATOM 2281 CG2 ILE A 646 4.765 15.436 7.580 1.00 33.11 C ATOM 2282 CD1 ILE A 646 4.933 13.321 4.388 1.00 43.51 C ATOM 0 H ILE A 646 3.397 15.371 3.707 1.00 61.45 H new ATOM 0 HA ILE A 646 2.349 15.056 6.424 1.00 75.11 H new ATOM 0 HB ILE A 646 5.134 15.766 5.486 1.00 21.00 H new ATOM 0 HG12 ILE A 646 5.656 13.383 6.382 1.00 74.20 H new ATOM 0 HG13 ILE A 646 3.934 13.087 6.246 1.00 74.20 H new ATOM 0 HG21 ILE A 646 5.787 15.137 7.814 1.00 33.11 H new ATOM 0 HG22 ILE A 646 4.643 16.500 7.782 1.00 33.11 H new ATOM 0 HG23 ILE A 646 4.070 14.868 8.198 1.00 33.11 H new ATOM 0 HD11 ILE A 646 5.124 12.252 4.295 1.00 43.51 H new ATOM 0 HD12 ILE A 646 4.027 13.577 3.839 1.00 43.51 H new ATOM 0 HD13 ILE A 646 5.776 13.877 3.977 1.00 43.51 H new ATOM 2294 N GLU A 647 2.236 17.516 6.873 1.00 44.43 N ATOM 2295 CA GLU A 647 2.016 18.909 7.026 1.00 23.23 C ATOM 2296 C GLU A 647 2.718 19.405 8.263 1.00 0.24 C ATOM 2297 O GLU A 647 2.837 18.668 9.254 1.00 25.33 O ATOM 2298 CB GLU A 647 0.523 19.198 7.099 1.00 45.41 C ATOM 2299 CG GLU A 647 -0.284 18.495 6.011 1.00 3.32 C ATOM 2300 CD GLU A 647 -1.660 19.050 5.859 1.00 63.11 C ATOM 2301 OE1 GLU A 647 -1.801 20.091 5.225 1.00 73.54 O ATOM 2302 OE2 GLU A 647 -2.621 18.452 6.347 1.00 75.13 O ATOM 0 H GLU A 647 1.874 16.935 7.629 1.00 44.43 H new ATOM 0 HA GLU A 647 2.424 19.434 6.162 1.00 23.23 H new ATOM 0 HB2 GLU A 647 0.148 18.890 8.075 1.00 45.41 H new ATOM 0 HB3 GLU A 647 0.364 20.274 7.021 1.00 45.41 H new ATOM 0 HG2 GLU A 647 0.244 18.581 5.061 1.00 3.32 H new ATOM 0 HG3 GLU A 647 -0.350 17.432 6.244 1.00 3.32 H new ATOM 2309 N GLU A 648 3.214 20.624 8.187 1.00 41.01 N ATOM 2310 CA GLU A 648 3.863 21.287 9.306 1.00 14.11 C ATOM 2311 C GLU A 648 2.831 21.385 10.427 1.00 21.44 C ATOM 2312 O GLU A 648 1.664 21.686 10.157 1.00 24.24 O ATOM 2313 CB GLU A 648 4.279 22.682 8.863 1.00 23.50 C ATOM 2314 CG GLU A 648 5.197 22.713 7.642 1.00 2.22 C ATOM 2315 CD GLU A 648 6.661 22.512 7.953 1.00 1.41 C ATOM 2316 OE1 GLU A 648 7.141 21.343 8.043 1.00 34.44 O ATOM 2317 OE2 GLU A 648 7.381 23.518 8.056 1.00 73.11 O ATOM 0 H GLU A 648 3.179 21.190 7.339 1.00 41.01 H new ATOM 0 HA GLU A 648 4.744 20.742 9.645 1.00 14.11 H new ATOM 0 HB2 GLU A 648 3.383 23.262 8.642 1.00 23.50 H new ATOM 0 HB3 GLU A 648 4.783 23.178 9.693 1.00 23.50 H new ATOM 0 HG2 GLU A 648 4.878 21.940 6.944 1.00 2.22 H new ATOM 0 HG3 GLU A 648 5.074 23.670 7.135 1.00 2.22 H new ATOM 2324 N SER A 649 3.232 21.121 11.646 1.00 73.04 N ATOM 2325 CA SER A 649 2.295 21.048 12.729 1.00 2.43 C ATOM 2326 C SER A 649 1.614 22.386 13.017 1.00 15.25 C ATOM 2327 O SER A 649 2.263 23.425 13.249 1.00 22.21 O ATOM 2328 CB SER A 649 2.942 20.472 13.996 1.00 74.03 C ATOM 2329 OG SER A 649 1.963 20.197 15.004 1.00 14.42 O ATOM 0 H SER A 649 4.203 20.954 11.909 1.00 73.04 H new ATOM 0 HA SER A 649 1.511 20.362 12.407 1.00 2.43 H new ATOM 0 HB2 SER A 649 3.478 19.556 13.748 1.00 74.03 H new ATOM 0 HB3 SER A 649 3.677 21.177 14.384 1.00 74.03 H new ATOM 0 HG SER A 649 2.405 19.830 15.798 1.00 14.42 H new