USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 845 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 547 HIS : no HE2:sc= -4.86 K(o=-5.2,f=-2.4) USER MOD Set 1.2: A 587 GLN : amide:sc= -0.33 K(o=-5.2,f=-3.2) USER MOD Single : A 530 SER OG : rot 35:sc= 0.128 USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 540 ASN : amide:sc= -0.0784 K(o=-0.078,f=-0.62) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -111:sc= -0.21 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= 0.679 K(o=0.68,f=-1.1!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl -152:sc= -0.502 (180deg=-3.32!) USER MOD Single : A 562 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.3) USER MOD Single : A 572 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 575 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.12) USER MOD Single : A 580 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 581 ASN : amide:sc= -0.0866 K(o=-0.087,f=-1.3!) USER MOD Single : A 583 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.35) USER MOD Single : A 591 GLN : amide:sc= -0.0675 K(o=-0.068,f=-1.7!) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.6!) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -55:sc= 0.149 USER MOD Single : A 605 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-3.5!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.8!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.9) USER MOD Single : A 634 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.073) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot 180:sc= 0 USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 529 -10.764 7.474 -21.229 1.00 0.00 N ATOM 2 CA GLY A 529 -10.174 6.341 -21.919 1.00 0.00 C ATOM 3 C GLY A 529 -8.900 6.709 -22.653 1.00 0.00 C ATOM 4 O GLY A 529 -8.769 6.454 -23.850 1.00 0.00 O ATOM 0 HA2 GLY A 529 -9.959 5.552 -21.198 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -10.895 5.936 -22.629 1.00 0.00 H new ATOM 8 N SER A 530 -7.958 7.311 -21.934 1.00 0.00 N ATOM 9 CA SER A 530 -6.688 7.719 -22.526 1.00 0.00 C ATOM 10 C SER A 530 -5.640 7.964 -21.445 1.00 0.00 C ATOM 11 O SER A 530 -5.846 8.765 -20.534 1.00 0.00 O ATOM 12 CB SER A 530 -6.878 8.984 -23.366 1.00 0.00 C ATOM 13 OG SER A 530 -7.513 10.004 -22.615 1.00 0.00 O ATOM 0 H SER A 530 -8.050 7.527 -20.941 1.00 0.00 H new ATOM 0 HA SER A 530 -6.338 6.913 -23.170 1.00 0.00 H new ATOM 0 HB2 SER A 530 -5.910 9.338 -23.720 1.00 0.00 H new ATOM 0 HB3 SER A 530 -7.475 8.752 -24.248 1.00 0.00 H new ATOM 0 HG SER A 530 -7.217 9.956 -21.682 1.00 0.00 H new ATOM 19 N SER A 531 -4.513 7.266 -21.555 1.00 0.00 N ATOM 20 CA SER A 531 -3.431 7.404 -20.587 1.00 0.00 C ATOM 21 C SER A 531 -2.877 8.825 -20.590 1.00 0.00 C ATOM 22 O SER A 531 -3.080 9.580 -21.540 1.00 0.00 O ATOM 23 CB SER A 531 -2.314 6.407 -20.895 1.00 0.00 C ATOM 24 OG SER A 531 -1.479 6.881 -21.938 1.00 0.00 O ATOM 0 H SER A 531 -4.326 6.600 -22.304 1.00 0.00 H new ATOM 0 HA SER A 531 -3.833 7.193 -19.596 1.00 0.00 H new ATOM 0 HB2 SER A 531 -1.719 6.235 -19.998 1.00 0.00 H new ATOM 0 HB3 SER A 531 -2.747 5.448 -21.179 1.00 0.00 H new ATOM 0 HG SER A 531 -0.772 6.226 -22.114 1.00 0.00 H new ATOM 30 N GLY A 532 -2.173 9.182 -19.519 1.00 0.00 N ATOM 31 CA GLY A 532 -1.599 10.511 -19.418 1.00 0.00 C ATOM 32 C GLY A 532 -1.942 11.192 -18.108 1.00 0.00 C ATOM 33 O GLY A 532 -1.660 10.662 -17.033 1.00 0.00 O ATOM 0 H GLY A 532 -1.990 8.574 -18.720 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -0.516 10.444 -19.516 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -1.957 11.122 -20.246 1.00 0.00 H new ATOM 37 N SER A 533 -2.549 12.371 -18.195 1.00 0.00 N ATOM 38 CA SER A 533 -2.925 13.128 -17.008 1.00 0.00 C ATOM 39 C SER A 533 -1.902 12.932 -15.893 1.00 0.00 C ATOM 40 O SER A 533 -2.252 12.567 -14.771 1.00 0.00 O ATOM 41 CB SER A 533 -4.312 12.702 -16.523 1.00 0.00 C ATOM 42 OG SER A 533 -5.324 13.175 -17.395 1.00 0.00 O ATOM 0 H SER A 533 -2.791 12.823 -19.077 1.00 0.00 H new ATOM 0 HA SER A 533 -2.950 14.185 -17.274 1.00 0.00 H new ATOM 0 HB2 SER A 533 -4.361 11.615 -16.460 1.00 0.00 H new ATOM 0 HB3 SER A 533 -4.484 13.088 -15.518 1.00 0.00 H new ATOM 0 HG SER A 533 -6.201 12.888 -17.064 1.00 0.00 H new ATOM 48 N SER A 534 -0.634 13.177 -16.210 1.00 0.00 N ATOM 49 CA SER A 534 0.441 13.026 -15.238 1.00 0.00 C ATOM 50 C SER A 534 1.535 14.063 -15.471 1.00 0.00 C ATOM 51 O SER A 534 1.808 14.449 -16.606 1.00 0.00 O ATOM 52 CB SER A 534 1.033 11.617 -15.318 1.00 0.00 C ATOM 53 OG SER A 534 1.518 11.341 -16.621 1.00 0.00 O ATOM 0 H SER A 534 -0.327 13.481 -17.134 1.00 0.00 H new ATOM 0 HA SER A 534 0.023 13.182 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 534 1.844 11.518 -14.596 1.00 0.00 H new ATOM 0 HB3 SER A 534 0.273 10.884 -15.046 1.00 0.00 H new ATOM 0 HG SER A 534 1.892 10.436 -16.646 1.00 0.00 H new ATOM 59 N GLY A 535 2.157 14.511 -14.383 1.00 0.00 N ATOM 60 CA GLY A 535 3.214 15.501 -14.489 1.00 0.00 C ATOM 61 C GLY A 535 3.102 16.582 -13.433 1.00 0.00 C ATOM 62 O GLY A 535 3.058 17.769 -13.755 1.00 0.00 O ATOM 0 H GLY A 535 1.948 14.206 -13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.181 15.007 -14.398 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.182 15.958 -15.478 1.00 0.00 H new ATOM 66 N GLU A 536 3.055 16.171 -12.170 1.00 0.00 N ATOM 67 CA GLU A 536 2.946 17.115 -11.064 1.00 0.00 C ATOM 68 C GLU A 536 4.279 17.257 -10.335 1.00 0.00 C ATOM 69 O GLU A 536 5.098 16.339 -10.333 1.00 0.00 O ATOM 70 CB GLU A 536 1.862 16.663 -10.084 1.00 0.00 C ATOM 71 CG GLU A 536 0.458 16.710 -10.664 1.00 0.00 C ATOM 72 CD GLU A 536 -0.586 16.163 -9.710 1.00 0.00 C ATOM 73 OE1 GLU A 536 -0.387 16.281 -8.483 1.00 0.00 O ATOM 74 OE2 GLU A 536 -1.601 15.616 -10.190 1.00 0.00 O ATOM 0 H GLU A 536 3.091 15.192 -11.887 1.00 0.00 H new ATOM 0 HA GLU A 536 2.672 18.086 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.078 15.645 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 536 1.901 17.294 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 536 0.208 17.740 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.433 16.138 -11.591 1.00 0.00 H new ATOM 81 N GLY A 537 4.489 18.415 -9.717 1.00 0.00 N ATOM 82 CA GLY A 537 5.723 18.657 -8.994 1.00 0.00 C ATOM 83 C GLY A 537 5.510 19.484 -7.742 1.00 0.00 C ATOM 84 O GLY A 537 5.404 20.709 -7.810 1.00 0.00 O ATOM 0 H GLY A 537 3.826 19.190 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 537 6.174 17.703 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 537 6.429 19.169 -9.648 1.00 0.00 H new ATOM 88 N ASP A 538 5.446 18.816 -6.596 1.00 0.00 N ATOM 89 CA ASP A 538 5.242 19.497 -5.323 1.00 0.00 C ATOM 90 C ASP A 538 6.013 18.802 -4.205 1.00 0.00 C ATOM 91 O ASP A 538 5.766 17.636 -3.898 1.00 0.00 O ATOM 92 CB ASP A 538 3.753 19.547 -4.979 1.00 0.00 C ATOM 93 CG ASP A 538 3.059 20.751 -5.583 1.00 0.00 C ATOM 94 OD1 ASP A 538 3.480 21.889 -5.289 1.00 0.00 O ATOM 95 OD2 ASP A 538 2.092 20.556 -6.351 1.00 0.00 O ATOM 0 H ASP A 538 5.533 17.802 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 538 5.618 20.515 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 538 3.270 18.637 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 538 3.634 19.568 -3.896 1.00 0.00 H new ATOM 100 N VAL A 539 6.950 19.526 -3.601 1.00 0.00 N ATOM 101 CA VAL A 539 7.757 18.979 -2.516 1.00 0.00 C ATOM 102 C VAL A 539 6.935 18.826 -1.242 1.00 0.00 C ATOM 103 O VAL A 539 6.931 17.766 -0.617 1.00 0.00 O ATOM 104 CB VAL A 539 8.980 19.869 -2.222 1.00 0.00 C ATOM 105 CG1 VAL A 539 9.784 19.305 -1.062 1.00 0.00 C ATOM 106 CG2 VAL A 539 9.846 20.009 -3.465 1.00 0.00 C ATOM 0 H VAL A 539 7.169 20.492 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 539 8.101 17.998 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 539 8.627 20.861 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 539 10.644 19.947 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 539 9.157 19.261 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 539 10.129 18.302 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 539 10.705 20.641 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 539 10.192 19.025 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 539 9.262 20.462 -4.266 1.00 0.00 H new ATOM 116 N ASN A 540 6.239 19.893 -0.862 1.00 0.00 N ATOM 117 CA ASN A 540 5.413 19.878 0.339 1.00 0.00 C ATOM 118 C ASN A 540 4.685 18.545 0.483 1.00 0.00 C ATOM 119 O ASN A 540 4.741 17.905 1.532 1.00 0.00 O ATOM 120 CB ASN A 540 4.398 21.023 0.300 1.00 0.00 C ATOM 121 CG ASN A 540 3.311 20.869 1.346 1.00 0.00 C ATOM 122 OD1 ASN A 540 3.561 20.383 2.449 1.00 0.00 O ATOM 123 ND2 ASN A 540 2.097 21.284 1.003 1.00 0.00 N ATOM 0 H ASN A 540 6.231 20.778 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 540 6.068 20.010 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 540 4.916 21.969 0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 540 3.943 21.067 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 540 1.325 21.206 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 540 1.936 21.681 0.077 1.00 0.00 H new ATOM 130 N SER A 541 4.003 18.131 -0.580 1.00 0.00 N ATOM 131 CA SER A 541 3.261 16.876 -0.573 1.00 0.00 C ATOM 132 C SER A 541 3.765 15.941 -1.670 1.00 0.00 C ATOM 133 O SER A 541 3.422 16.100 -2.841 1.00 0.00 O ATOM 134 CB SER A 541 1.766 17.140 -0.759 1.00 0.00 C ATOM 135 OG SER A 541 1.214 17.770 0.384 1.00 0.00 O ATOM 0 H SER A 541 3.949 18.647 -1.458 1.00 0.00 H new ATOM 0 HA SER A 541 3.419 16.395 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.611 17.769 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 541 1.248 16.199 -0.946 1.00 0.00 H new ATOM 0 HG SER A 541 0.258 17.930 0.240 1.00 0.00 H new ATOM 141 N ALA A 542 4.579 14.967 -1.280 1.00 0.00 N ATOM 142 CA ALA A 542 5.128 14.005 -2.227 1.00 0.00 C ATOM 143 C ALA A 542 4.434 12.652 -2.102 1.00 0.00 C ATOM 144 O ALA A 542 3.969 12.280 -1.025 1.00 0.00 O ATOM 145 CB ALA A 542 6.627 13.852 -2.016 1.00 0.00 C ATOM 0 H ALA A 542 4.873 14.823 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 542 4.950 14.383 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.023 13.130 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.115 14.815 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.818 13.501 -1.002 1.00 0.00 H new ATOM 151 N LYS A 543 4.367 11.923 -3.210 1.00 0.00 N ATOM 152 CA LYS A 543 3.730 10.611 -3.224 1.00 0.00 C ATOM 153 C LYS A 543 4.735 9.514 -2.885 1.00 0.00 C ATOM 154 O LYS A 543 5.415 8.987 -3.766 1.00 0.00 O ATOM 155 CB LYS A 543 3.107 10.340 -4.596 1.00 0.00 C ATOM 156 CG LYS A 543 1.717 10.930 -4.759 1.00 0.00 C ATOM 157 CD LYS A 543 1.353 11.101 -6.225 1.00 0.00 C ATOM 158 CE LYS A 543 0.166 12.037 -6.399 1.00 0.00 C ATOM 159 NZ LYS A 543 0.581 13.467 -6.395 1.00 0.00 N ATOM 0 H LYS A 543 4.746 12.218 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 543 2.946 10.607 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.759 10.748 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.057 9.263 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.986 10.282 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.669 11.896 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 543 2.211 11.494 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.118 10.129 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.342 11.809 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.552 11.865 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -0.256 14.072 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 1.043 13.692 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 1.247 13.637 -7.176 1.00 0.00 H new ATOM 173 N VAL A 544 4.821 9.173 -1.603 1.00 0.00 N ATOM 174 CA VAL A 544 5.741 8.137 -1.149 1.00 0.00 C ATOM 175 C VAL A 544 5.010 7.069 -0.344 1.00 0.00 C ATOM 176 O VAL A 544 5.512 6.591 0.674 1.00 0.00 O ATOM 177 CB VAL A 544 6.871 8.730 -0.286 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.746 9.658 -1.116 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.296 9.461 0.917 1.00 0.00 C ATOM 0 H VAL A 544 4.265 9.599 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 544 6.174 7.684 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 544 7.493 7.912 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.539 10.067 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.188 9.100 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.139 10.472 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.109 9.873 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.650 10.270 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.717 8.765 1.523 1.00 0.00 H new ATOM 189 N CYS A 545 3.822 6.696 -0.808 1.00 0.00 N ATOM 190 CA CYS A 545 3.021 5.684 -0.131 1.00 0.00 C ATOM 191 C CYS A 545 2.214 4.867 -1.136 1.00 0.00 C ATOM 192 O CYS A 545 1.832 5.369 -2.193 1.00 0.00 O ATOM 193 CB CYS A 545 2.082 6.339 0.883 1.00 0.00 C ATOM 194 SG CYS A 545 2.863 6.738 2.463 1.00 0.00 S ATOM 0 H CYS A 545 3.393 7.080 -1.650 1.00 0.00 H new ATOM 0 HA CYS A 545 3.699 5.012 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.677 7.253 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.239 5.672 1.065 1.00 0.00 H new ATOM 0 HG CYS A 545 2.385 5.964 3.391 1.00 0.00 H new ATOM 200 N ALA A 546 1.960 3.607 -0.800 1.00 0.00 N ATOM 201 CA ALA A 546 1.199 2.722 -1.672 1.00 0.00 C ATOM 202 C ALA A 546 0.279 1.812 -0.865 1.00 0.00 C ATOM 203 O ALA A 546 0.737 1.040 -0.022 1.00 0.00 O ATOM 204 CB ALA A 546 2.140 1.893 -2.534 1.00 0.00 C ATOM 0 H ALA A 546 2.271 3.176 0.071 1.00 0.00 H new ATOM 0 HA ALA A 546 0.578 3.339 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.558 1.236 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.752 2.556 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.786 1.292 -1.894 1.00 0.00 H new ATOM 210 N HIS A 547 -1.020 1.909 -1.126 1.00 0.00 N ATOM 211 CA HIS A 547 -2.005 1.095 -0.423 1.00 0.00 C ATOM 212 C HIS A 547 -2.348 -0.157 -1.225 1.00 0.00 C ATOM 213 O HIS A 547 -2.741 -0.070 -2.389 1.00 0.00 O ATOM 214 CB HIS A 547 -3.272 1.907 -0.155 1.00 0.00 C ATOM 215 CG HIS A 547 -4.252 1.211 0.739 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.605 1.159 0.477 1.00 0.00 N ATOM 217 CD2 HIS A 547 -4.067 0.535 1.897 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.210 0.482 1.437 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.300 0.092 2.311 1.00 0.00 N ATOM 0 H HIS A 547 -1.416 2.544 -1.820 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.572 0.787 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.994 2.860 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.756 2.133 -1.105 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -6.066 1.577 -0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -3.126 0.374 2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.270 0.281 1.497 1.00 0.00 H new ATOM 227 N ILE A 548 -2.196 -1.317 -0.597 1.00 0.00 N ATOM 228 CA ILE A 548 -2.490 -2.585 -1.253 1.00 0.00 C ATOM 229 C ILE A 548 -3.838 -3.136 -0.803 1.00 0.00 C ATOM 230 O ILE A 548 -4.027 -3.473 0.367 1.00 0.00 O ATOM 231 CB ILE A 548 -1.398 -3.633 -0.967 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.026 -3.097 -1.381 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.707 -4.932 -1.696 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.128 -3.932 -0.870 1.00 0.00 C ATOM 0 H ILE A 548 -1.871 -1.406 0.366 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.520 -2.387 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.380 -3.835 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.024 -3.050 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.083 -2.077 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.926 -5.663 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.668 -5.319 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.748 -4.746 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.069 -3.493 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.104 -3.958 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.043 -4.947 -1.259 1.00 0.00 H new ATOM 246 N THR A 549 -4.776 -3.231 -1.741 1.00 0.00 N ATOM 247 CA THR A 549 -6.108 -3.743 -1.443 1.00 0.00 C ATOM 248 C THR A 549 -6.423 -4.976 -2.280 1.00 0.00 C ATOM 249 O THR A 549 -5.709 -5.291 -3.231 1.00 0.00 O ATOM 250 CB THR A 549 -7.189 -2.675 -1.693 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.107 -2.201 -3.042 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.031 -1.508 -0.731 1.00 0.00 C ATOM 0 H THR A 549 -4.637 -2.960 -2.714 1.00 0.00 H new ATOM 0 HA THR A 549 -6.114 -4.014 -0.387 1.00 0.00 H new ATOM 0 HB THR A 549 -8.164 -3.133 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.799 -1.524 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.806 -0.767 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.123 -1.867 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.050 -1.053 -0.869 1.00 0.00 H new ATOM 260 N ASN A 550 -7.498 -5.671 -1.921 1.00 0.00 N ATOM 261 CA ASN A 550 -7.907 -6.872 -2.641 1.00 0.00 C ATOM 262 C ASN A 550 -6.940 -8.022 -2.378 1.00 0.00 C ATOM 263 O ASN A 550 -6.651 -8.819 -3.270 1.00 0.00 O ATOM 264 CB ASN A 550 -7.985 -6.589 -4.143 1.00 0.00 C ATOM 265 CG ASN A 550 -8.907 -7.551 -4.865 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.071 -8.699 -4.453 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.515 -7.086 -5.950 1.00 0.00 N ATOM 0 H ASN A 550 -8.101 -5.423 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.894 -7.163 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.334 -5.568 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.986 -6.654 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.147 -7.688 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.350 -6.127 -6.256 1.00 0.00 H new ATOM 274 N ILE A 551 -6.444 -8.100 -1.147 1.00 0.00 N ATOM 275 CA ILE A 551 -5.510 -9.152 -0.766 1.00 0.00 C ATOM 276 C ILE A 551 -6.155 -10.131 0.210 1.00 0.00 C ATOM 277 O ILE A 551 -7.083 -9.793 0.945 1.00 0.00 O ATOM 278 CB ILE A 551 -4.236 -8.570 -0.125 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.602 -7.608 1.006 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.391 -7.865 -1.176 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.437 -7.263 1.907 1.00 0.00 C ATOM 0 H ILE A 551 -6.674 -7.447 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.238 -9.679 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.651 -9.388 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -5.002 -6.690 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.396 -8.051 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.494 -7.459 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.106 -8.577 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.967 -7.054 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.770 -6.577 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -3.050 -8.173 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.650 -6.790 1.319 1.00 0.00 H new ATOM 293 N PRO A 552 -5.653 -11.374 0.219 1.00 0.00 N ATOM 294 CA PRO A 552 -6.162 -12.428 1.102 1.00 0.00 C ATOM 295 C PRO A 552 -5.741 -12.223 2.553 1.00 0.00 C ATOM 296 O PRO A 552 -4.594 -11.877 2.833 1.00 0.00 O ATOM 297 CB PRO A 552 -5.529 -13.702 0.536 1.00 0.00 C ATOM 298 CG PRO A 552 -4.272 -13.242 -0.116 1.00 0.00 C ATOM 299 CD PRO A 552 -4.547 -11.848 -0.631 1.00 0.00 C ATOM 0 HA PRO A 552 -7.252 -12.450 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.324 -14.426 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.191 -14.189 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.445 -13.238 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.990 -13.909 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.670 -11.207 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.827 -11.858 -1.684 1.00 0.00 H new ATOM 307 N PHE A 553 -6.676 -12.438 3.472 1.00 0.00 N ATOM 308 CA PHE A 553 -6.402 -12.277 4.895 1.00 0.00 C ATOM 309 C PHE A 553 -5.810 -13.554 5.483 1.00 0.00 C ATOM 310 O PHE A 553 -6.084 -13.907 6.631 1.00 0.00 O ATOM 311 CB PHE A 553 -7.683 -11.902 5.644 1.00 0.00 C ATOM 312 CG PHE A 553 -8.872 -12.732 5.250 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.631 -12.397 4.140 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.230 -13.847 5.990 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.725 -13.159 3.776 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.323 -14.613 5.631 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.070 -14.269 4.522 1.00 0.00 C ATOM 0 H PHE A 553 -7.631 -12.724 3.257 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.674 -11.474 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.513 -12.010 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.907 -10.851 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.365 -11.531 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -8.648 -14.121 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -11.309 -12.887 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -10.592 -15.479 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.923 -14.867 4.238 1.00 0.00 H new ATOM 327 N SER A 554 -4.999 -14.244 4.689 1.00 0.00 N ATOM 328 CA SER A 554 -4.371 -15.484 5.129 1.00 0.00 C ATOM 329 C SER A 554 -2.856 -15.327 5.213 1.00 0.00 C ATOM 330 O SER A 554 -2.192 -16.009 5.995 1.00 0.00 O ATOM 331 CB SER A 554 -4.723 -16.626 4.172 1.00 0.00 C ATOM 332 OG SER A 554 -4.084 -16.457 2.919 1.00 0.00 O ATOM 0 H SER A 554 -4.761 -13.966 3.737 1.00 0.00 H new ATOM 0 HA SER A 554 -4.750 -15.721 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.424 -17.578 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 554 -5.803 -16.666 4.030 1.00 0.00 H new ATOM 0 HG SER A 554 -4.324 -17.200 2.327 1.00 0.00 H new ATOM 338 N ILE A 555 -2.315 -14.422 4.404 1.00 0.00 N ATOM 339 CA ILE A 555 -0.879 -14.174 4.387 1.00 0.00 C ATOM 340 C ILE A 555 -0.453 -13.332 5.586 1.00 0.00 C ATOM 341 O ILE A 555 -1.288 -12.880 6.371 1.00 0.00 O ATOM 342 CB ILE A 555 -0.446 -13.458 3.094 1.00 0.00 C ATOM 343 CG1 ILE A 555 -0.984 -12.027 3.071 1.00 0.00 C ATOM 344 CG2 ILE A 555 -0.929 -14.231 1.875 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.391 -11.174 1.972 1.00 0.00 C ATOM 0 H ILE A 555 -2.850 -13.848 3.752 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.390 -15.147 4.435 1.00 0.00 H new ATOM 0 HB ILE A 555 0.643 -13.416 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.067 -12.057 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.782 -11.557 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.616 -13.713 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.501 -15.233 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.017 -14.301 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.819 -10.173 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.690 -11.113 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.615 -11.621 1.003 1.00 0.00 H new ATOM 357 N THR A 556 0.853 -13.126 5.722 1.00 0.00 N ATOM 358 CA THR A 556 1.391 -12.338 6.825 1.00 0.00 C ATOM 359 C THR A 556 2.332 -11.252 6.317 1.00 0.00 C ATOM 360 O THR A 556 2.802 -11.305 5.180 1.00 0.00 O ATOM 361 CB THR A 556 2.145 -13.226 7.833 1.00 0.00 C ATOM 362 OG1 THR A 556 3.247 -13.873 7.186 1.00 0.00 O ATOM 363 CG2 THR A 556 1.219 -14.270 8.434 1.00 0.00 C ATOM 0 H THR A 556 1.558 -13.493 5.083 1.00 0.00 H new ATOM 0 HA THR A 556 0.542 -11.873 7.326 1.00 0.00 H new ATOM 0 HB THR A 556 2.518 -12.590 8.636 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.723 -14.434 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.775 -14.885 9.142 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.398 -13.774 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.820 -14.902 7.641 1.00 0.00 H new ATOM 371 N LYS A 557 2.604 -10.266 7.166 1.00 0.00 N ATOM 372 CA LYS A 557 3.490 -9.167 6.805 1.00 0.00 C ATOM 373 C LYS A 557 4.655 -9.665 5.956 1.00 0.00 C ATOM 374 O LYS A 557 4.997 -9.060 4.939 1.00 0.00 O ATOM 375 CB LYS A 557 4.022 -8.479 8.065 1.00 0.00 C ATOM 376 CG LYS A 557 4.475 -7.048 7.831 1.00 0.00 C ATOM 377 CD LYS A 557 4.482 -6.247 9.122 1.00 0.00 C ATOM 378 CE LYS A 557 5.653 -6.633 10.011 1.00 0.00 C ATOM 379 NZ LYS A 557 5.392 -6.313 11.443 1.00 0.00 N ATOM 0 H LYS A 557 2.222 -10.206 8.110 1.00 0.00 H new ATOM 0 HA LYS A 557 2.917 -8.448 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.244 -8.485 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.859 -9.056 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.475 -7.048 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.814 -6.570 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.535 -5.183 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.547 -6.411 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.851 -7.700 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.549 -6.109 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.214 -6.591 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.228 -5.291 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.552 -6.833 11.767 1.00 0.00 H new ATOM 393 N MET A 558 5.261 -10.770 6.377 1.00 0.00 N ATOM 394 CA MET A 558 6.385 -11.350 5.652 1.00 0.00 C ATOM 395 C MET A 558 6.037 -11.553 4.181 1.00 0.00 C ATOM 396 O MET A 558 6.769 -11.115 3.294 1.00 0.00 O ATOM 397 CB MET A 558 6.792 -12.684 6.281 1.00 0.00 C ATOM 398 CG MET A 558 7.662 -12.532 7.518 1.00 0.00 C ATOM 399 SD MET A 558 9.368 -12.108 7.119 1.00 0.00 S ATOM 400 CE MET A 558 9.462 -10.441 7.764 1.00 0.00 C ATOM 0 H MET A 558 4.992 -11.282 7.217 1.00 0.00 H new ATOM 0 HA MET A 558 7.223 -10.656 5.716 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.893 -13.241 6.545 1.00 0.00 H new ATOM 0 HB3 MET A 558 7.328 -13.277 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.241 -11.759 8.161 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.646 -13.463 8.085 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.203 -9.874 7.201 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.489 -9.959 7.670 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.751 -10.473 8.814 1.00 0.00 H new ATOM 410 N ASP A 559 4.915 -12.219 3.929 1.00 0.00 N ATOM 411 CA ASP A 559 4.470 -12.479 2.565 1.00 0.00 C ATOM 412 C ASP A 559 4.496 -11.201 1.732 1.00 0.00 C ATOM 413 O ASP A 559 5.049 -11.176 0.632 1.00 0.00 O ATOM 414 CB ASP A 559 3.059 -13.069 2.570 1.00 0.00 C ATOM 415 CG ASP A 559 3.063 -14.575 2.741 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.411 -15.049 3.843 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.718 -15.283 1.771 1.00 0.00 O ATOM 0 H ASP A 559 4.297 -12.589 4.652 1.00 0.00 H new ATOM 0 HA ASP A 559 5.155 -13.198 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.482 -12.616 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.558 -12.813 1.636 1.00 0.00 H new ATOM 422 N VAL A 560 3.894 -10.141 2.263 1.00 0.00 N ATOM 423 CA VAL A 560 3.849 -8.860 1.569 1.00 0.00 C ATOM 424 C VAL A 560 5.244 -8.415 1.145 1.00 0.00 C ATOM 425 O VAL A 560 5.503 -8.188 -0.038 1.00 0.00 O ATOM 426 CB VAL A 560 3.219 -7.766 2.450 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.182 -6.438 1.710 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.824 -8.177 2.894 1.00 0.00 C ATOM 0 H VAL A 560 3.431 -10.145 3.172 1.00 0.00 H new ATOM 0 HA VAL A 560 3.231 -9.002 0.682 1.00 0.00 H new ATOM 0 HB VAL A 560 3.837 -7.641 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.733 -5.678 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.197 -6.139 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.589 -6.544 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.394 -7.392 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.194 -8.332 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.882 -9.102 3.467 1.00 0.00 H new ATOM 438 N LEU A 561 6.141 -8.293 2.117 1.00 0.00 N ATOM 439 CA LEU A 561 7.513 -7.875 1.845 1.00 0.00 C ATOM 440 C LEU A 561 8.067 -8.592 0.618 1.00 0.00 C ATOM 441 O LEU A 561 8.760 -7.989 -0.202 1.00 0.00 O ATOM 442 CB LEU A 561 8.401 -8.155 3.058 1.00 0.00 C ATOM 443 CG LEU A 561 7.975 -7.497 4.370 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.706 -8.125 5.546 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.229 -5.997 4.321 1.00 0.00 C ATOM 0 H LEU A 561 5.944 -8.477 3.101 1.00 0.00 H new ATOM 0 HA LEU A 561 7.508 -6.803 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.441 -9.233 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.414 -7.829 2.824 1.00 0.00 H new ATOM 0 HG LEU A 561 6.906 -7.661 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.389 -7.643 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.473 -9.189 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.781 -7.994 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.920 -5.545 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.291 -5.813 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.658 -5.558 3.503 1.00 0.00 H new ATOM 457 N GLN A 562 7.754 -9.878 0.498 1.00 0.00 N ATOM 458 CA GLN A 562 8.219 -10.674 -0.631 1.00 0.00 C ATOM 459 C GLN A 562 7.575 -10.205 -1.931 1.00 0.00 C ATOM 460 O GLN A 562 8.256 -10.008 -2.938 1.00 0.00 O ATOM 461 CB GLN A 562 7.909 -12.154 -0.399 1.00 0.00 C ATOM 462 CG GLN A 562 8.307 -13.047 -1.564 1.00 0.00 C ATOM 463 CD GLN A 562 9.760 -13.474 -1.504 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.514 -13.029 -0.639 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.161 -14.343 -2.425 1.00 0.00 N ATOM 0 H GLN A 562 7.181 -10.390 1.168 1.00 0.00 H new ATOM 0 HA GLN A 562 9.298 -10.544 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.428 -12.489 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.841 -12.268 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.672 -13.933 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.126 -12.518 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.502 -14.686 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.128 -14.667 -2.433 1.00 0.00 H new ATOM 474 N PHE A 563 6.258 -10.028 -1.903 1.00 0.00 N ATOM 475 CA PHE A 563 5.521 -9.583 -3.080 1.00 0.00 C ATOM 476 C PHE A 563 6.148 -8.323 -3.671 1.00 0.00 C ATOM 477 O PHE A 563 5.984 -8.032 -4.856 1.00 0.00 O ATOM 478 CB PHE A 563 4.057 -9.318 -2.721 1.00 0.00 C ATOM 479 CG PHE A 563 3.324 -8.509 -3.753 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.516 -7.140 -3.845 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.443 -9.118 -4.633 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.842 -6.395 -4.794 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.767 -8.378 -5.583 1.00 0.00 C ATOM 484 CZ PHE A 563 1.968 -7.014 -5.665 1.00 0.00 C ATOM 0 H PHE A 563 5.679 -10.186 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 563 5.567 -10.375 -3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.546 -10.271 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 563 4.014 -8.797 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 563 4.200 -6.650 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.283 -10.185 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.999 -5.328 -4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.082 -8.865 -6.261 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.443 -6.433 -6.409 1.00 0.00 H new ATOM 494 N LEU A 564 6.865 -7.580 -2.836 1.00 0.00 N ATOM 495 CA LEU A 564 7.517 -6.351 -3.273 1.00 0.00 C ATOM 496 C LEU A 564 8.945 -6.625 -3.735 1.00 0.00 C ATOM 497 O LEU A 564 9.801 -5.743 -3.693 1.00 0.00 O ATOM 498 CB LEU A 564 7.525 -5.323 -2.141 1.00 0.00 C ATOM 499 CG LEU A 564 6.187 -4.647 -1.838 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.286 -3.808 -0.573 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.744 -3.791 -3.015 1.00 0.00 C ATOM 0 H LEU A 564 7.010 -7.807 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 564 6.952 -5.951 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.875 -5.815 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.253 -4.549 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 564 5.438 -5.423 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.324 -3.335 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.557 -4.447 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 564 7.048 -3.040 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.790 -3.318 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.493 -3.023 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.631 -4.418 -3.899 1.00 0.00 H new ATOM 513 N GLU A 565 9.191 -7.855 -4.177 1.00 0.00 N ATOM 514 CA GLU A 565 10.515 -8.245 -4.648 1.00 0.00 C ATOM 515 C GLU A 565 11.098 -7.181 -5.574 1.00 0.00 C ATOM 516 O GLU A 565 10.479 -6.799 -6.566 1.00 0.00 O ATOM 517 CB GLU A 565 10.447 -9.589 -5.376 1.00 0.00 C ATOM 518 CG GLU A 565 11.764 -10.346 -5.383 1.00 0.00 C ATOM 519 CD GLU A 565 11.736 -11.556 -6.297 1.00 0.00 C ATOM 520 OE1 GLU A 565 10.962 -11.542 -7.276 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.489 -12.517 -6.032 1.00 0.00 O ATOM 0 H GLU A 565 8.492 -8.597 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 565 11.167 -8.343 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.684 -10.209 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.130 -9.419 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.563 -9.675 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.000 -10.667 -4.368 1.00 0.00 H new ATOM 528 N GLY A 566 12.295 -6.707 -5.241 1.00 0.00 N ATOM 529 CA GLY A 566 12.943 -5.692 -6.052 1.00 0.00 C ATOM 530 C GLY A 566 13.045 -4.359 -5.338 1.00 0.00 C ATOM 531 O GLY A 566 14.030 -3.637 -5.496 1.00 0.00 O ATOM 0 H GLY A 566 12.827 -7.008 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.942 -6.032 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.386 -5.562 -6.980 1.00 0.00 H new ATOM 535 N ILE A 567 12.024 -4.030 -4.554 1.00 0.00 N ATOM 536 CA ILE A 567 12.004 -2.773 -3.815 1.00 0.00 C ATOM 537 C ILE A 567 12.473 -2.974 -2.377 1.00 0.00 C ATOM 538 O ILE A 567 11.779 -3.563 -1.548 1.00 0.00 O ATOM 539 CB ILE A 567 10.595 -2.151 -3.801 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.152 -1.806 -5.224 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.571 -0.913 -2.918 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.676 -1.499 -5.340 1.00 0.00 C ATOM 0 H ILE A 567 11.201 -4.615 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 567 12.687 -2.095 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 567 9.896 -2.880 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.722 -0.946 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.394 -2.639 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.569 -0.485 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.848 -1.187 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.279 -0.179 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.434 -1.263 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.098 -2.366 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.431 -0.646 -4.707 1.00 0.00 H new ATOM 554 N PRO A 568 13.677 -2.470 -2.073 1.00 0.00 N ATOM 555 CA PRO A 568 14.266 -2.578 -0.734 1.00 0.00 C ATOM 556 C PRO A 568 13.644 -1.597 0.253 1.00 0.00 C ATOM 557 O PRO A 568 14.014 -0.423 0.293 1.00 0.00 O ATOM 558 CB PRO A 568 15.741 -2.241 -0.967 1.00 0.00 C ATOM 559 CG PRO A 568 15.742 -1.351 -2.162 1.00 0.00 C ATOM 560 CD PRO A 568 14.558 -1.754 -3.011 1.00 0.00 C ATOM 0 HA PRO A 568 14.104 -3.563 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.175 -1.741 -0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.330 -3.141 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.666 -0.305 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.672 -1.456 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 568 14.061 -0.885 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.860 -2.392 -3.841 1.00 0.00 H new ATOM 568 N VAL A 569 12.699 -2.085 1.050 1.00 0.00 N ATOM 569 CA VAL A 569 12.028 -1.251 2.039 1.00 0.00 C ATOM 570 C VAL A 569 11.963 -1.948 3.394 1.00 0.00 C ATOM 571 O VAL A 569 11.758 -3.159 3.471 1.00 0.00 O ATOM 572 CB VAL A 569 10.598 -0.890 1.592 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.767 -2.148 1.394 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.943 0.039 2.603 1.00 0.00 C ATOM 0 H VAL A 569 12.381 -3.054 1.030 1.00 0.00 H new ATOM 0 HA VAL A 569 12.615 -0.337 2.131 1.00 0.00 H new ATOM 0 HB VAL A 569 10.655 -0.368 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.760 -1.873 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.229 -2.773 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.715 -2.701 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.934 0.284 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.897 -0.454 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.529 0.954 2.689 1.00 0.00 H new ATOM 584 N ASP A 570 12.140 -1.175 4.460 1.00 0.00 N ATOM 585 CA ASP A 570 12.101 -1.718 5.812 1.00 0.00 C ATOM 586 C ASP A 570 10.736 -2.329 6.114 1.00 0.00 C ATOM 587 O ASP A 570 9.754 -2.045 5.429 1.00 0.00 O ATOM 588 CB ASP A 570 12.420 -0.624 6.833 1.00 0.00 C ATOM 589 CG ASP A 570 13.902 -0.306 6.896 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.711 -1.166 6.490 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.251 0.803 7.353 1.00 0.00 O ATOM 0 H ASP A 570 12.312 -0.171 4.414 1.00 0.00 H new ATOM 0 HA ASP A 570 12.854 -2.503 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.868 0.280 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.077 -0.939 7.818 1.00 0.00 H new ATOM 596 N GLU A 571 10.684 -3.171 7.142 1.00 0.00 N ATOM 597 CA GLU A 571 9.440 -3.824 7.531 1.00 0.00 C ATOM 598 C GLU A 571 8.440 -2.807 8.077 1.00 0.00 C ATOM 599 O GLU A 571 7.313 -2.710 7.595 1.00 0.00 O ATOM 600 CB GLU A 571 9.711 -4.903 8.581 1.00 0.00 C ATOM 601 CG GLU A 571 10.515 -6.079 8.051 1.00 0.00 C ATOM 602 CD GLU A 571 11.998 -5.778 7.960 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.477 -4.915 8.727 1.00 0.00 O ATOM 604 OE2 GLU A 571 12.680 -6.404 7.122 1.00 0.00 O ATOM 0 H GLU A 571 11.488 -3.416 7.719 1.00 0.00 H new ATOM 0 HA GLU A 571 9.011 -4.290 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.246 -4.456 9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 571 8.760 -5.269 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.362 -6.941 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 571 10.143 -6.354 7.064 1.00 0.00 H new ATOM 611 N ASN A 572 8.863 -2.053 9.086 1.00 0.00 N ATOM 612 CA ASN A 572 8.006 -1.046 9.699 1.00 0.00 C ATOM 613 C ASN A 572 7.323 -0.191 8.635 1.00 0.00 C ATOM 614 O ASN A 572 6.201 0.274 8.824 1.00 0.00 O ATOM 615 CB ASN A 572 8.822 -0.154 10.638 1.00 0.00 C ATOM 616 CG ASN A 572 8.979 -0.760 12.019 1.00 0.00 C ATOM 617 OD1 ASN A 572 8.855 -1.973 12.195 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.251 0.083 13.008 1.00 0.00 N ATOM 0 H ASN A 572 9.794 -2.121 9.496 1.00 0.00 H new ATOM 0 HA ASN A 572 7.237 -1.562 10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.808 0.018 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.337 0.818 10.724 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.366 -0.267 13.959 1.00 0.00 H new ATOM 0 HD22 ASN A 572 9.345 1.080 12.817 1.00 0.00 H new ATOM 625 N ALA A 573 8.011 0.010 7.515 1.00 0.00 N ATOM 626 CA ALA A 573 7.471 0.805 6.420 1.00 0.00 C ATOM 627 C ALA A 573 6.066 0.343 6.046 1.00 0.00 C ATOM 628 O ALA A 573 5.209 1.152 5.690 1.00 0.00 O ATOM 629 CB ALA A 573 8.391 0.732 5.211 1.00 0.00 C ATOM 0 H ALA A 573 8.943 -0.367 7.343 1.00 0.00 H new ATOM 0 HA ALA A 573 7.408 1.841 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.975 1.331 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.375 1.117 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.483 -0.304 4.886 1.00 0.00 H new ATOM 635 N VAL A 574 5.836 -0.963 6.131 1.00 0.00 N ATOM 636 CA VAL A 574 4.534 -1.532 5.803 1.00 0.00 C ATOM 637 C VAL A 574 3.632 -1.586 7.031 1.00 0.00 C ATOM 638 O VAL A 574 4.027 -2.089 8.083 1.00 0.00 O ATOM 639 CB VAL A 574 4.673 -2.951 5.219 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.304 -3.565 4.976 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.490 -2.922 3.937 1.00 0.00 C ATOM 0 H VAL A 574 6.534 -1.647 6.424 1.00 0.00 H new ATOM 0 HA VAL A 574 4.084 -0.881 5.054 1.00 0.00 H new ATOM 0 HB VAL A 574 5.199 -3.573 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.423 -4.567 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.759 -3.623 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.748 -2.946 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.578 -3.933 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 574 4.995 -2.285 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.484 -2.527 4.148 1.00 0.00 H new ATOM 651 N HIS A 575 2.418 -1.064 6.888 1.00 0.00 N ATOM 652 CA HIS A 575 1.458 -1.053 7.987 1.00 0.00 C ATOM 653 C HIS A 575 0.237 -1.905 7.650 1.00 0.00 C ATOM 654 O HIS A 575 -0.624 -1.495 6.873 1.00 0.00 O ATOM 655 CB HIS A 575 1.023 0.380 8.297 1.00 0.00 C ATOM 656 CG HIS A 575 2.054 1.170 9.043 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.741 2.043 10.063 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.401 1.214 8.910 1.00 0.00 C ATOM 659 CE1 HIS A 575 2.850 2.591 10.526 1.00 0.00 C ATOM 660 NE2 HIS A 575 3.872 2.105 9.844 1.00 0.00 N ATOM 0 H HIS A 575 2.076 -0.644 6.024 1.00 0.00 H new ATOM 0 HA HIS A 575 1.944 -1.476 8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.791 0.891 7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.104 0.354 8.882 1.00 0.00 H new ATOM 0 HD2 HIS A 575 3.994 0.654 8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 575 2.911 3.314 11.326 1.00 0.00 H new ATOM 0 HE2 HIS A 575 4.851 2.351 9.988 1.00 0.00 H new ATOM 668 N VAL A 576 0.172 -3.095 8.239 1.00 0.00 N ATOM 669 CA VAL A 576 -0.942 -4.005 8.002 1.00 0.00 C ATOM 670 C VAL A 576 -2.140 -3.647 8.875 1.00 0.00 C ATOM 671 O VAL A 576 -1.998 -3.405 10.074 1.00 0.00 O ATOM 672 CB VAL A 576 -0.541 -5.467 8.276 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.725 -6.397 8.056 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.635 -5.870 7.398 1.00 0.00 C ATOM 0 H VAL A 576 0.878 -3.451 8.884 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.217 -3.901 6.952 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.233 -5.552 9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.422 -7.425 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.535 -6.121 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.067 -6.312 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.905 -6.906 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.357 -5.770 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.486 -5.224 7.611 1.00 0.00 H new ATOM 684 N LEU A 577 -3.320 -3.615 8.265 1.00 0.00 N ATOM 685 CA LEU A 577 -4.545 -3.287 8.987 1.00 0.00 C ATOM 686 C LEU A 577 -4.989 -4.452 9.866 1.00 0.00 C ATOM 687 O LEU A 577 -4.535 -5.583 9.690 1.00 0.00 O ATOM 688 CB LEU A 577 -5.657 -2.922 8.002 1.00 0.00 C ATOM 689 CG LEU A 577 -5.550 -1.545 7.347 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.603 -1.387 6.261 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.688 -0.446 8.390 1.00 0.00 C ATOM 0 H LEU A 577 -3.455 -3.812 7.273 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.341 -2.430 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.679 -3.676 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.611 -2.980 8.525 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.566 -1.459 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.511 -0.401 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.458 -2.153 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.596 -1.494 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.609 0.527 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.658 -0.530 8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.896 -0.547 9.132 1.00 0.00 H new ATOM 703 N VAL A 578 -5.880 -4.168 10.811 1.00 0.00 N ATOM 704 CA VAL A 578 -6.388 -5.193 11.714 1.00 0.00 C ATOM 705 C VAL A 578 -7.820 -4.891 12.137 1.00 0.00 C ATOM 706 O VAL A 578 -8.282 -3.753 12.038 1.00 0.00 O ATOM 707 CB VAL A 578 -5.508 -5.317 12.973 1.00 0.00 C ATOM 708 CG1 VAL A 578 -4.094 -5.733 12.598 1.00 0.00 C ATOM 709 CG2 VAL A 578 -5.499 -4.009 13.748 1.00 0.00 C ATOM 0 H VAL A 578 -6.264 -3.237 10.971 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.365 -6.136 11.168 1.00 0.00 H new ATOM 0 HB VAL A 578 -5.930 -6.090 13.615 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -3.488 -5.815 13.500 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -4.121 -6.697 12.090 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -3.659 -4.985 11.935 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -4.873 -4.115 14.634 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -5.102 -3.214 13.116 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -6.516 -3.758 14.051 1.00 0.00 H new ATOM 719 N ASP A 579 -8.521 -5.916 12.610 1.00 0.00 N ATOM 720 CA ASP A 579 -9.903 -5.761 13.050 1.00 0.00 C ATOM 721 C ASP A 579 -10.038 -6.076 14.536 1.00 0.00 C ATOM 722 O ASP A 579 -9.048 -6.336 15.219 1.00 0.00 O ATOM 723 CB ASP A 579 -10.824 -6.671 12.237 1.00 0.00 C ATOM 724 CG ASP A 579 -10.989 -8.040 12.867 1.00 0.00 C ATOM 725 OD1 ASP A 579 -10.077 -8.467 13.606 1.00 0.00 O ATOM 726 OD2 ASP A 579 -12.031 -8.683 12.623 1.00 0.00 O ATOM 0 H ASP A 579 -8.155 -6.864 12.699 1.00 0.00 H new ATOM 0 HA ASP A 579 -10.196 -4.724 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -11.802 -6.199 12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -10.422 -6.784 11.230 1.00 0.00 H new ATOM 731 N ASN A 580 -11.271 -6.049 15.032 1.00 0.00 N ATOM 732 CA ASN A 580 -11.535 -6.330 16.439 1.00 0.00 C ATOM 733 C ASN A 580 -10.868 -7.633 16.868 1.00 0.00 C ATOM 734 O ASN A 580 -10.217 -7.695 17.910 1.00 0.00 O ATOM 735 CB ASN A 580 -13.043 -6.409 16.689 1.00 0.00 C ATOM 736 CG ASN A 580 -13.374 -7.034 18.031 1.00 0.00 C ATOM 737 OD1 ASN A 580 -13.314 -6.372 19.068 1.00 0.00 O ATOM 738 ND2 ASN A 580 -13.725 -8.314 18.017 1.00 0.00 N ATOM 0 H ASN A 580 -12.102 -5.836 14.481 1.00 0.00 H new ATOM 0 HA ASN A 580 -11.117 -5.517 17.032 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -13.469 -5.407 16.643 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -13.510 -6.991 15.895 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -13.959 -8.788 18.889 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -13.761 -8.823 17.134 1.00 0.00 H new ATOM 745 N ASN A 581 -11.035 -8.673 16.056 1.00 0.00 N ATOM 746 CA ASN A 581 -10.449 -9.975 16.352 1.00 0.00 C ATOM 747 C ASN A 581 -9.044 -10.083 15.770 1.00 0.00 C ATOM 748 O ASN A 581 -8.544 -11.181 15.524 1.00 0.00 O ATOM 749 CB ASN A 581 -11.333 -11.093 15.794 1.00 0.00 C ATOM 750 CG ASN A 581 -12.474 -11.448 16.726 1.00 0.00 C ATOM 751 OD1 ASN A 581 -12.333 -11.393 17.948 1.00 0.00 O ATOM 752 ND2 ASN A 581 -13.614 -11.815 16.152 1.00 0.00 N ATOM 0 H ASN A 581 -11.571 -8.639 15.189 1.00 0.00 H new ATOM 0 HA ASN A 581 -10.383 -10.080 17.435 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -11.738 -10.785 14.830 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -10.724 -11.979 15.616 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -14.418 -12.065 16.728 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -13.686 -11.846 15.135 1.00 0.00 H new ATOM 759 N GLY A 582 -8.408 -8.936 15.551 1.00 0.00 N ATOM 760 CA GLY A 582 -7.066 -8.924 14.999 1.00 0.00 C ATOM 761 C GLY A 582 -6.880 -9.955 13.904 1.00 0.00 C ATOM 762 O GLY A 582 -5.920 -10.724 13.925 1.00 0.00 O ATOM 0 H GLY A 582 -8.799 -8.014 15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -6.849 -7.933 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -6.347 -9.112 15.796 1.00 0.00 H new ATOM 766 N GLN A 583 -7.802 -9.971 12.946 1.00 0.00 N ATOM 767 CA GLN A 583 -7.735 -10.917 11.838 1.00 0.00 C ATOM 768 C GLN A 583 -7.067 -10.285 10.622 1.00 0.00 C ATOM 769 O GLN A 583 -6.154 -10.862 10.033 1.00 0.00 O ATOM 770 CB GLN A 583 -9.137 -11.404 11.471 1.00 0.00 C ATOM 771 CG GLN A 583 -9.653 -12.513 12.374 1.00 0.00 C ATOM 772 CD GLN A 583 -9.119 -13.877 11.987 1.00 0.00 C ATOM 773 OE1 GLN A 583 -9.120 -14.246 10.813 1.00 0.00 O ATOM 774 NE2 GLN A 583 -8.656 -14.635 12.976 1.00 0.00 N ATOM 0 H GLN A 583 -8.603 -9.340 12.915 1.00 0.00 H new ATOM 0 HA GLN A 583 -7.134 -11.769 12.156 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -9.828 -10.562 11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -9.131 -11.759 10.441 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -9.373 -12.297 13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -10.742 -12.530 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -8.674 -14.289 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -8.282 -15.563 12.776 1.00 0.00 H new ATOM 783 N GLY A 584 -7.531 -9.095 10.250 1.00 0.00 N ATOM 784 CA GLY A 584 -6.968 -8.406 9.104 1.00 0.00 C ATOM 785 C GLY A 584 -8.005 -8.109 8.039 1.00 0.00 C ATOM 786 O GLY A 584 -8.652 -9.020 7.522 1.00 0.00 O ATOM 0 H GLY A 584 -8.286 -8.597 10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -6.512 -7.472 9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -6.173 -9.014 8.673 1.00 0.00 H new ATOM 790 N LEU A 585 -8.165 -6.832 7.710 1.00 0.00 N ATOM 791 CA LEU A 585 -9.133 -6.417 6.700 1.00 0.00 C ATOM 792 C LEU A 585 -8.551 -6.565 5.298 1.00 0.00 C ATOM 793 O LEU A 585 -8.798 -5.737 4.422 1.00 0.00 O ATOM 794 CB LEU A 585 -9.558 -4.968 6.937 1.00 0.00 C ATOM 795 CG LEU A 585 -10.187 -4.668 8.298 1.00 0.00 C ATOM 796 CD1 LEU A 585 -9.112 -4.345 9.325 1.00 0.00 C ATOM 797 CD2 LEU A 585 -11.179 -3.519 8.185 1.00 0.00 C ATOM 0 H LEU A 585 -7.637 -6.066 8.128 1.00 0.00 H new ATOM 0 HA LEU A 585 -10.007 -7.063 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -8.683 -4.329 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -10.269 -4.687 6.160 1.00 0.00 H new ATOM 0 HG LEU A 585 -10.724 -5.556 8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -9.579 -4.134 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -8.439 -5.196 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -8.546 -3.473 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -11.617 -3.319 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -10.664 -2.627 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -11.968 -3.787 7.482 1.00 0.00 H new ATOM 809 N GLY A 586 -7.780 -7.629 5.090 1.00 0.00 N ATOM 810 CA GLY A 586 -7.179 -7.867 3.791 1.00 0.00 C ATOM 811 C GLY A 586 -6.697 -6.590 3.132 1.00 0.00 C ATOM 812 O GLY A 586 -6.843 -6.417 1.922 1.00 0.00 O ATOM 0 H GLY A 586 -7.561 -8.330 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.340 -8.554 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.906 -8.355 3.142 1.00 0.00 H new ATOM 816 N GLN A 587 -6.125 -5.693 3.929 1.00 0.00 N ATOM 817 CA GLN A 587 -5.624 -4.425 3.414 1.00 0.00 C ATOM 818 C GLN A 587 -4.387 -3.975 4.186 1.00 0.00 C ATOM 819 O GLN A 587 -4.360 -4.021 5.415 1.00 0.00 O ATOM 820 CB GLN A 587 -6.711 -3.351 3.500 1.00 0.00 C ATOM 821 CG GLN A 587 -7.814 -3.519 2.467 1.00 0.00 C ATOM 822 CD GLN A 587 -8.879 -2.445 2.573 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.664 -1.299 2.178 1.00 0.00 O ATOM 824 NE2 GLN A 587 -10.038 -2.812 3.107 1.00 0.00 N ATOM 0 H GLN A 587 -5.997 -5.821 4.933 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.346 -4.569 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -7.152 -3.371 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.252 -2.370 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.378 -3.496 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.277 -4.498 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -10.173 -3.773 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.793 -2.133 3.203 1.00 0.00 H new ATOM 833 N ALA A 588 -3.365 -3.543 3.454 1.00 0.00 N ATOM 834 CA ALA A 588 -2.126 -3.084 4.069 1.00 0.00 C ATOM 835 C ALA A 588 -1.561 -1.877 3.329 1.00 0.00 C ATOM 836 O ALA A 588 -1.775 -1.715 2.127 1.00 0.00 O ATOM 837 CB ALA A 588 -1.104 -4.211 4.101 1.00 0.00 C ATOM 0 H ALA A 588 -3.371 -3.501 2.435 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.348 -2.780 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.183 -3.854 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.501 -5.045 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.895 -4.542 3.084 1.00 0.00 H new ATOM 843 N LEU A 589 -0.839 -1.029 4.055 1.00 0.00 N ATOM 844 CA LEU A 589 -0.243 0.166 3.468 1.00 0.00 C ATOM 845 C LEU A 589 1.266 0.003 3.317 1.00 0.00 C ATOM 846 O LEU A 589 1.877 -0.850 3.959 1.00 0.00 O ATOM 847 CB LEU A 589 -0.552 1.390 4.332 1.00 0.00 C ATOM 848 CG LEU A 589 -1.980 1.931 4.242 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.269 2.867 5.405 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.200 2.643 2.915 1.00 0.00 C ATOM 0 H LEU A 589 -0.653 -1.147 5.051 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.675 0.310 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.345 1.137 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.136 2.189 4.055 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.671 1.090 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.289 3.243 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.154 2.326 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.571 3.704 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.221 3.021 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.501 3.475 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.035 1.944 2.095 1.00 0.00 H new ATOM 862 N VAL A 590 1.863 0.832 2.465 1.00 0.00 N ATOM 863 CA VAL A 590 3.301 0.782 2.232 1.00 0.00 C ATOM 864 C VAL A 590 3.899 2.184 2.186 1.00 0.00 C ATOM 865 O VAL A 590 3.609 2.963 1.278 1.00 0.00 O ATOM 866 CB VAL A 590 3.632 0.052 0.916 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.137 0.002 0.697 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.040 -1.350 0.922 1.00 0.00 C ATOM 0 H VAL A 590 1.373 1.545 1.926 1.00 0.00 H new ATOM 0 HA VAL A 590 3.737 0.230 3.065 1.00 0.00 H new ATOM 0 HB VAL A 590 3.187 0.607 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.352 -0.517 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.531 1.017 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.608 -0.530 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.283 -1.852 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.455 -1.917 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 590 1.957 -1.287 1.030 1.00 0.00 H new ATOM 878 N GLN A 591 4.733 2.498 3.172 1.00 0.00 N ATOM 879 CA GLN A 591 5.372 3.807 3.244 1.00 0.00 C ATOM 880 C GLN A 591 6.805 3.742 2.729 1.00 0.00 C ATOM 881 O GLN A 591 7.630 2.991 3.250 1.00 0.00 O ATOM 882 CB GLN A 591 5.356 4.328 4.682 1.00 0.00 C ATOM 883 CG GLN A 591 5.798 5.777 4.810 1.00 0.00 C ATOM 884 CD GLN A 591 6.448 6.072 6.148 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.484 5.219 7.035 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.968 7.284 6.298 1.00 0.00 N ATOM 0 H GLN A 591 4.982 1.864 3.932 1.00 0.00 H new ATOM 0 HA GLN A 591 4.809 4.493 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.348 4.228 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.007 3.703 5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.500 6.011 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.935 6.429 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 591 6.915 7.960 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.420 7.540 7.176 1.00 0.00 H new ATOM 895 N PHE A 592 7.096 4.535 1.702 1.00 0.00 N ATOM 896 CA PHE A 592 8.432 4.567 1.116 1.00 0.00 C ATOM 897 C PHE A 592 9.202 5.797 1.584 1.00 0.00 C ATOM 898 O PHE A 592 8.611 6.807 1.965 1.00 0.00 O ATOM 899 CB PHE A 592 8.341 4.559 -0.412 1.00 0.00 C ATOM 900 CG PHE A 592 7.692 3.324 -0.968 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.263 2.078 -0.772 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.510 3.410 -1.686 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.669 0.939 -1.282 1.00 0.00 C ATOM 904 CE2 PHE A 592 5.911 2.275 -2.199 1.00 0.00 C ATOM 905 CZ PHE A 592 6.491 1.038 -1.997 1.00 0.00 C ATOM 0 H PHE A 592 6.426 5.163 1.259 1.00 0.00 H new ATOM 0 HA PHE A 592 8.968 3.677 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.779 5.434 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.344 4.651 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.184 1.995 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.052 4.375 -1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.125 -0.027 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 592 4.990 2.355 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.025 0.150 -2.397 1.00 0.00 H new ATOM 915 N LYS A 593 10.527 5.705 1.555 1.00 0.00 N ATOM 916 CA LYS A 593 11.382 6.808 1.976 1.00 0.00 C ATOM 917 C LYS A 593 11.615 7.785 0.827 1.00 0.00 C ATOM 918 O LYS A 593 12.021 8.925 1.042 1.00 0.00 O ATOM 919 CB LYS A 593 12.723 6.276 2.486 1.00 0.00 C ATOM 920 CG LYS A 593 13.425 5.354 1.506 1.00 0.00 C ATOM 921 CD LYS A 593 14.898 5.195 1.845 1.00 0.00 C ATOM 922 CE LYS A 593 15.553 4.120 0.993 1.00 0.00 C ATOM 923 NZ LYS A 593 17.038 4.230 1.008 1.00 0.00 N ATOM 0 H LYS A 593 11.033 4.876 1.244 1.00 0.00 H new ATOM 0 HA LYS A 593 10.877 7.337 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.377 7.119 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 593 12.560 5.741 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.942 4.377 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 593 13.324 5.751 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 593 15.412 6.144 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 593 15.004 4.940 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 593 15.258 3.137 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.193 4.200 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 17.448 3.480 0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 17.321 5.159 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 17.384 4.128 1.984 1.00 0.00 H new ATOM 937 N ASN A 594 11.354 7.327 -0.394 1.00 0.00 N ATOM 938 CA ASN A 594 11.534 8.161 -1.577 1.00 0.00 C ATOM 939 C ASN A 594 10.614 7.710 -2.707 1.00 0.00 C ATOM 940 O ASN A 594 10.041 6.622 -2.655 1.00 0.00 O ATOM 941 CB ASN A 594 12.992 8.114 -2.042 1.00 0.00 C ATOM 942 CG ASN A 594 13.931 8.801 -1.069 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.662 9.909 -0.604 1.00 0.00 O ATOM 944 ND2 ASN A 594 15.042 8.143 -0.756 1.00 0.00 N ATOM 0 H ASN A 594 11.018 6.384 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 594 11.276 9.186 -1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.298 7.075 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 594 13.074 8.589 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.712 8.554 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.225 7.227 -1.165 1.00 0.00 H new ATOM 951 N GLU A 595 10.479 8.553 -3.725 1.00 0.00 N ATOM 952 CA GLU A 595 9.627 8.240 -4.867 1.00 0.00 C ATOM 953 C GLU A 595 10.196 7.072 -5.666 1.00 0.00 C ATOM 954 O GLU A 595 9.452 6.243 -6.191 1.00 0.00 O ATOM 955 CB GLU A 595 9.478 9.466 -5.771 1.00 0.00 C ATOM 956 CG GLU A 595 8.915 10.683 -5.058 1.00 0.00 C ATOM 957 CD GLU A 595 9.995 11.554 -4.446 1.00 0.00 C ATOM 958 OE1 GLU A 595 11.166 11.119 -4.427 1.00 0.00 O ATOM 959 OE2 GLU A 595 9.671 12.668 -3.987 1.00 0.00 O ATOM 0 H GLU A 595 10.948 9.457 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 595 8.645 7.955 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 595 10.452 9.719 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.828 9.213 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 595 8.333 11.275 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.231 10.356 -4.275 1.00 0.00 H new ATOM 966 N ASP A 596 11.521 7.013 -5.754 1.00 0.00 N ATOM 967 CA ASP A 596 12.192 5.946 -6.488 1.00 0.00 C ATOM 968 C ASP A 596 11.575 4.589 -6.160 1.00 0.00 C ATOM 969 O ASP A 596 11.632 3.659 -6.964 1.00 0.00 O ATOM 970 CB ASP A 596 13.685 5.933 -6.161 1.00 0.00 C ATOM 971 CG ASP A 596 14.519 5.347 -7.284 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.290 5.727 -8.451 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.400 4.510 -6.995 1.00 0.00 O ATOM 0 H ASP A 596 12.151 7.691 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 596 12.063 6.136 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.018 6.951 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.850 5.356 -5.251 1.00 0.00 H new ATOM 978 N ASP A 597 10.988 4.485 -4.973 1.00 0.00 N ATOM 979 CA ASP A 597 10.360 3.242 -4.537 1.00 0.00 C ATOM 980 C ASP A 597 8.868 3.245 -4.857 1.00 0.00 C ATOM 981 O ASP A 597 8.289 2.206 -5.172 1.00 0.00 O ATOM 982 CB ASP A 597 10.573 3.037 -3.037 1.00 0.00 C ATOM 983 CG ASP A 597 11.912 3.567 -2.564 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.892 3.472 -3.332 1.00 0.00 O ATOM 985 OD2 ASP A 597 11.980 4.078 -1.426 1.00 0.00 O ATOM 0 H ASP A 597 10.934 5.245 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 597 10.827 2.419 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 597 9.774 3.536 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.504 1.974 -2.805 1.00 0.00 H new ATOM 990 N ALA A 598 8.253 4.420 -4.770 1.00 0.00 N ATOM 991 CA ALA A 598 6.829 4.558 -5.051 1.00 0.00 C ATOM 992 C ALA A 598 6.539 4.356 -6.534 1.00 0.00 C ATOM 993 O ALA A 598 5.724 3.512 -6.906 1.00 0.00 O ATOM 994 CB ALA A 598 6.332 5.923 -4.596 1.00 0.00 C ATOM 0 H ALA A 598 8.718 5.289 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 598 6.298 3.785 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.267 6.013 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.495 6.031 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.877 6.704 -5.126 1.00 0.00 H new ATOM 1000 N ARG A 599 7.211 5.134 -7.375 1.00 0.00 N ATOM 1001 CA ARG A 599 7.023 5.040 -8.818 1.00 0.00 C ATOM 1002 C ARG A 599 7.121 3.591 -9.286 1.00 0.00 C ATOM 1003 O ARG A 599 6.641 3.242 -10.365 1.00 0.00 O ATOM 1004 CB ARG A 599 8.064 5.894 -9.545 1.00 0.00 C ATOM 1005 CG ARG A 599 7.886 7.388 -9.330 1.00 0.00 C ATOM 1006 CD ARG A 599 6.926 7.987 -10.346 1.00 0.00 C ATOM 1007 NE ARG A 599 7.580 8.252 -11.625 1.00 0.00 N ATOM 1008 CZ ARG A 599 6.918 8.463 -12.757 1.00 0.00 C ATOM 1009 NH1 ARG A 599 5.593 8.442 -12.770 1.00 0.00 N ATOM 1010 NH2 ARG A 599 7.584 8.698 -13.882 1.00 0.00 N ATOM 0 H ARG A 599 7.890 5.836 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 599 6.027 5.413 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.059 5.603 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.014 5.681 -10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.511 7.570 -8.323 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.853 7.885 -9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 599 6.090 7.305 -10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 599 6.512 8.915 -9.951 1.00 0.00 H new ATOM 0 HE ARG A 599 8.599 8.276 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 599 5.077 8.263 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 599 5.089 8.605 -13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 599 8.604 8.716 -13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 599 7.076 8.860 -14.751 1.00 0.00 H new ATOM 1024 N LYS A 600 7.746 2.752 -8.468 1.00 0.00 N ATOM 1025 CA LYS A 600 7.906 1.340 -8.795 1.00 0.00 C ATOM 1026 C LYS A 600 6.773 0.511 -8.203 1.00 0.00 C ATOM 1027 O LYS A 600 6.189 -0.334 -8.881 1.00 0.00 O ATOM 1028 CB LYS A 600 9.253 0.826 -8.279 1.00 0.00 C ATOM 1029 CG LYS A 600 10.449 1.413 -9.010 1.00 0.00 C ATOM 1030 CD LYS A 600 11.749 1.105 -8.288 1.00 0.00 C ATOM 1031 CE LYS A 600 12.143 -0.356 -8.448 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.555 -0.598 -8.040 1.00 0.00 N ATOM 0 H LYS A 600 8.151 3.025 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 600 7.876 1.239 -9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.338 1.057 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.278 -0.260 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.490 1.012 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.328 2.493 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.543 1.742 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.643 1.340 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 600 11.480 -0.979 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 600 12.009 -0.657 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.784 -1.605 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.190 -0.023 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.678 -0.335 -7.041 1.00 0.00 H new ATOM 1046 N SER A 601 6.465 0.759 -6.933 1.00 0.00 N ATOM 1047 CA SER A 601 5.402 0.034 -6.248 1.00 0.00 C ATOM 1048 C SER A 601 4.099 0.106 -7.039 1.00 0.00 C ATOM 1049 O SER A 601 3.311 -0.840 -7.046 1.00 0.00 O ATOM 1050 CB SER A 601 5.191 0.601 -4.844 1.00 0.00 C ATOM 1051 OG SER A 601 4.318 1.717 -4.869 1.00 0.00 O ATOM 0 H SER A 601 6.937 1.457 -6.358 1.00 0.00 H new ATOM 0 HA SER A 601 5.702 -1.011 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.779 -0.172 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.151 0.896 -4.420 1.00 0.00 H new ATOM 0 HG SER A 601 4.660 2.386 -5.498 1.00 0.00 H new ATOM 1057 N GLU A 602 3.878 1.236 -7.704 1.00 0.00 N ATOM 1058 CA GLU A 602 2.671 1.432 -8.496 1.00 0.00 C ATOM 1059 C GLU A 602 2.695 0.565 -9.751 1.00 0.00 C ATOM 1060 O GLU A 602 1.653 0.132 -10.240 1.00 0.00 O ATOM 1061 CB GLU A 602 2.522 2.905 -8.884 1.00 0.00 C ATOM 1062 CG GLU A 602 3.606 3.398 -9.827 1.00 0.00 C ATOM 1063 CD GLU A 602 3.428 4.853 -10.212 1.00 0.00 C ATOM 1064 OE1 GLU A 602 3.789 5.731 -9.400 1.00 0.00 O ATOM 1065 OE2 GLU A 602 2.927 5.115 -11.325 1.00 0.00 O ATOM 0 H GLU A 602 4.520 2.029 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 602 1.817 1.135 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.549 3.052 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.535 3.513 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.580 3.268 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 602 3.604 2.785 -10.728 1.00 0.00 H new ATOM 1072 N ARG A 603 3.895 0.314 -10.266 1.00 0.00 N ATOM 1073 CA ARG A 603 4.057 -0.500 -11.464 1.00 0.00 C ATOM 1074 C ARG A 603 3.551 -1.921 -11.229 1.00 0.00 C ATOM 1075 O ARG A 603 3.183 -2.624 -12.171 1.00 0.00 O ATOM 1076 CB ARG A 603 5.527 -0.536 -11.887 1.00 0.00 C ATOM 1077 CG ARG A 603 5.731 -0.875 -13.355 1.00 0.00 C ATOM 1078 CD ARG A 603 7.195 -0.782 -13.751 1.00 0.00 C ATOM 1079 NE ARG A 603 7.400 -1.079 -15.166 1.00 0.00 N ATOM 1080 CZ ARG A 603 8.443 -0.647 -15.865 1.00 0.00 C ATOM 1081 NH1 ARG A 603 9.371 0.100 -15.283 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.560 -0.960 -17.149 1.00 0.00 N ATOM 0 H ARG A 603 4.769 0.663 -9.872 1.00 0.00 H new ATOM 0 HA ARG A 603 3.466 -0.049 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 603 5.979 0.434 -11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.054 -1.270 -11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.363 -1.882 -13.551 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.143 -0.195 -13.971 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.566 0.219 -13.534 1.00 0.00 H new ATOM 0 HD3 ARG A 603 7.779 -1.477 -13.147 1.00 0.00 H new ATOM 0 HE ARG A 603 6.703 -1.650 -15.644 1.00 0.00 H new ATOM 0 HH11 ARG A 603 9.285 0.344 -14.296 1.00 0.00 H new ATOM 0 HH12 ARG A 603 10.171 0.431 -15.822 1.00 0.00 H new ATOM 0 HH21 ARG A 603 7.848 -1.534 -17.601 1.00 0.00 H new ATOM 0 HH22 ARG A 603 9.362 -0.627 -17.684 1.00 0.00 H new ATOM 1096 N LEU A 604 3.534 -2.335 -9.967 1.00 0.00 N ATOM 1097 CA LEU A 604 3.073 -3.672 -9.608 1.00 0.00 C ATOM 1098 C LEU A 604 1.551 -3.711 -9.493 1.00 0.00 C ATOM 1099 O LEU A 604 0.983 -4.661 -8.956 1.00 0.00 O ATOM 1100 CB LEU A 604 3.705 -4.113 -8.287 1.00 0.00 C ATOM 1101 CG LEU A 604 5.160 -4.579 -8.363 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.728 -4.784 -6.967 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.269 -5.859 -9.178 1.00 0.00 C ATOM 0 H LEU A 604 3.834 -1.765 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 604 3.378 -4.359 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.647 -3.282 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.106 -4.924 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 604 5.744 -3.805 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.764 -5.115 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.686 -3.845 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.142 -5.539 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.311 -6.175 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.672 -6.641 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.902 -5.679 -10.189 1.00 0.00 H new ATOM 1115 N HIS A 605 0.898 -2.672 -10.005 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.557 -2.588 -9.963 1.00 0.00 C ATOM 1117 C HIS A 605 -1.190 -3.717 -10.773 1.00 0.00 C ATOM 1118 O HIS A 605 -0.655 -4.129 -11.802 1.00 0.00 O ATOM 1119 CB HIS A 605 -1.027 -1.236 -10.499 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.514 -1.139 -10.659 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.396 -1.294 -9.610 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.271 -0.899 -11.754 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.632 -1.155 -10.054 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.585 -0.915 -11.351 1.00 0.00 N ATOM 0 H HIS A 605 1.354 -1.877 -10.453 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.872 -2.688 -8.924 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.690 -0.450 -9.823 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.553 -1.052 -11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.910 -0.727 -12.757 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.529 -1.226 -9.457 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.393 -0.766 -11.956 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.328 -4.211 -10.299 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.032 -5.294 -10.978 1.00 0.00 C ATOM 1134 C ARG A 606 -2.159 -6.543 -11.060 1.00 0.00 C ATOM 1135 O ARG A 606 -2.069 -7.183 -12.107 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.449 -4.857 -12.383 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.821 -4.202 -12.435 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.108 -3.623 -13.811 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.723 -4.604 -14.701 1.00 0.00 N ATOM 1140 CZ ARG A 606 -5.867 -4.422 -16.009 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -5.443 -3.301 -16.576 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -6.435 -5.362 -16.753 1.00 0.00 N ATOM 0 H ARG A 606 -2.783 -3.880 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.924 -5.533 -10.399 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.708 -4.159 -12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.445 -5.726 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.586 -4.936 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.877 -3.411 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.767 -2.761 -13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.179 -3.264 -14.254 1.00 0.00 H new ATOM 0 HE ARG A 606 -6.061 -5.477 -14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.005 -2.576 -16.008 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -5.555 -3.164 -17.581 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -6.762 -6.226 -16.321 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -6.545 -5.221 -17.757 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.516 -6.883 -9.948 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.651 -8.055 -9.892 1.00 0.00 C ATOM 1158 C LYS A 607 -1.406 -9.263 -9.350 1.00 0.00 C ATOM 1159 O LYS A 607 -2.492 -9.129 -8.788 1.00 0.00 O ATOM 1160 CB LYS A 607 0.573 -7.769 -9.018 1.00 0.00 C ATOM 1161 CG LYS A 607 1.717 -7.112 -9.769 1.00 0.00 C ATOM 1162 CD LYS A 607 2.465 -8.113 -10.633 1.00 0.00 C ATOM 1163 CE LYS A 607 3.309 -9.056 -9.791 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.070 -10.021 -10.632 1.00 0.00 N ATOM 0 H LYS A 607 -1.578 -6.363 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.321 -8.281 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.275 -7.125 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.925 -8.704 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.329 -6.309 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.407 -6.657 -9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.753 -8.690 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 607 3.105 -7.581 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.004 -8.477 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.665 -9.603 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.633 -10.646 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.406 -10.592 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.704 -9.500 -11.271 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.822 -10.445 -9.520 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.438 -11.679 -9.045 1.00 0.00 C ATOM 1180 C LYS A 608 -0.727 -12.197 -7.799 1.00 0.00 C ATOM 1181 O LYS A 608 0.354 -12.782 -7.886 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.407 -12.744 -10.143 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.059 -12.299 -11.441 1.00 0.00 C ATOM 1184 CD LYS A 608 -1.700 -13.225 -12.591 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.677 -13.081 -13.748 1.00 0.00 C ATOM 1186 NZ LYS A 608 -3.875 -13.948 -13.575 1.00 0.00 N ATOM 0 H LYS A 608 0.077 -10.574 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.475 -11.463 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.371 -13.018 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.911 -13.641 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.142 -12.275 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.743 -11.283 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -0.690 -13.003 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -1.698 -14.257 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -2.991 -12.040 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -2.175 -13.337 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -4.516 -13.820 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -3.578 -14.943 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -4.369 -13.687 -12.698 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.341 -11.981 -6.641 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.766 -12.428 -5.376 1.00 0.00 C ATOM 1202 C LEU A 609 -1.461 -13.692 -4.880 1.00 0.00 C ATOM 1203 O LEU A 609 -2.598 -13.645 -4.414 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.878 -11.324 -4.324 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.050 -11.519 -3.054 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.078 -10.263 -2.199 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.560 -12.715 -2.263 1.00 0.00 C ATOM 0 H LEU A 609 -2.236 -11.500 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 609 0.287 -12.656 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.584 -10.381 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.926 -11.227 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 609 0.983 -11.713 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.517 -10.422 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.335 -9.428 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.107 -10.037 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.041 -12.839 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.601 -12.550 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.486 -13.614 -2.875 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.768 -14.821 -4.982 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.317 -16.098 -4.541 1.00 0.00 C ATOM 1221 C ASN A 610 -2.571 -16.452 -5.333 1.00 0.00 C ATOM 1222 O ASN A 610 -3.431 -17.194 -4.856 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.640 -16.050 -3.047 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.416 -16.281 -2.182 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.671 -16.562 -2.688 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.587 -16.161 -0.871 1.00 0.00 N ATOM 0 H ASN A 610 0.175 -14.878 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.567 -16.869 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.076 -15.081 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.392 -16.805 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.201 -16.303 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.506 -15.927 -0.496 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.671 -15.918 -6.546 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.823 -16.189 -7.385 1.00 0.00 C ATOM 1235 C GLY A 611 -4.958 -15.212 -7.146 1.00 0.00 C ATOM 1236 O GLY A 611 -6.106 -15.488 -7.492 1.00 0.00 O ATOM 0 H GLY A 611 -1.974 -15.302 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.524 -16.145 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.175 -17.203 -7.197 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.635 -14.068 -6.550 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.638 -13.050 -6.262 1.00 0.00 C ATOM 1242 C ARG A 612 -5.192 -11.686 -6.784 1.00 0.00 C ATOM 1243 O ARG A 612 -4.175 -11.147 -6.351 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.896 -12.970 -4.756 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.723 -14.127 -4.219 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.480 -13.733 -2.961 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.655 -14.573 -2.743 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.501 -14.406 -1.733 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.303 -13.435 -0.851 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.548 -15.210 -1.602 1.00 0.00 N ATOM 0 H ARG A 612 -3.689 -13.824 -6.258 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.561 -13.331 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.940 -12.944 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.408 -12.034 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.429 -14.456 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.070 -14.973 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -6.816 -13.808 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -7.789 -12.690 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.836 -15.330 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -8.499 -12.814 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -9.954 -13.309 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.704 -15.958 -2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.197 -15.080 -0.826 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.962 -11.137 -7.719 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.645 -9.837 -8.301 1.00 0.00 C ATOM 1266 C GLU A 613 -5.602 -8.756 -7.225 1.00 0.00 C ATOM 1267 O GLU A 613 -6.595 -8.502 -6.545 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.675 -9.468 -9.370 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.775 -10.485 -10.495 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.625 -11.685 -10.125 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.668 -11.493 -9.467 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.245 -12.815 -10.495 1.00 0.00 O ATOM 0 H GLU A 613 -6.808 -11.571 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.660 -9.904 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.652 -9.362 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.417 -8.497 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -7.197 -10.004 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -5.774 -10.823 -10.764 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.444 -8.121 -7.079 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.271 -7.066 -6.089 1.00 0.00 C ATOM 1281 C ALA A 614 -4.198 -5.695 -6.754 1.00 0.00 C ATOM 1282 O ALA A 614 -3.763 -5.572 -7.899 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.020 -7.319 -5.260 1.00 0.00 C ATOM 0 H ALA A 614 -3.612 -8.319 -7.634 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.139 -7.076 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.904 -6.523 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.111 -8.276 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.148 -7.339 -5.914 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.626 -4.668 -6.028 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.612 -3.306 -6.549 1.00 0.00 C ATOM 1291 C PHE A 615 -3.771 -2.392 -5.661 1.00 0.00 C ATOM 1292 O PHE A 615 -3.956 -2.351 -4.444 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.038 -2.762 -6.655 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.938 -3.602 -7.514 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.479 -4.134 -8.708 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.243 -3.862 -7.126 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.307 -4.907 -9.502 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.074 -4.635 -7.915 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.605 -5.158 -9.104 1.00 0.00 C ATOM 0 H PHE A 615 -4.987 -4.753 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.165 -3.329 -7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.466 -2.691 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.003 -1.751 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.464 -3.943 -9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.615 -3.456 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -6.939 -5.314 -10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.089 -4.830 -7.602 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.253 -5.763 -9.722 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.847 -1.664 -6.278 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.977 -0.751 -5.545 1.00 0.00 C ATOM 1311 C VAL A 616 -2.286 0.701 -5.894 1.00 0.00 C ATOM 1312 O VAL A 616 -2.265 1.087 -7.063 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.492 -1.034 -5.837 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.397 -0.087 -5.047 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.155 -2.484 -5.522 1.00 0.00 C ATOM 0 H VAL A 616 -2.681 -1.688 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.168 -0.915 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.309 -0.865 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.443 -0.302 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.172 0.942 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.215 -0.221 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.898 -2.667 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.353 -2.683 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.769 -3.142 -6.137 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.570 1.502 -4.873 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.882 2.913 -5.071 1.00 0.00 C ATOM 1327 C HIS A 617 -1.801 3.799 -4.459 1.00 0.00 C ATOM 1328 O HIS A 617 -1.396 3.600 -3.313 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.241 3.249 -4.458 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.401 2.762 -5.270 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.045 1.568 -5.025 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.034 3.319 -6.330 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.022 1.410 -5.898 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.038 2.458 -6.701 1.00 0.00 N ATOM 0 H HIS A 617 -2.591 1.198 -3.899 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.920 3.104 -6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.298 2.813 -3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.320 4.330 -4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.794 4.263 -6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.695 0.566 -5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.690 2.604 -7.472 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.336 4.777 -5.230 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.303 5.694 -4.764 1.00 0.00 C ATOM 1344 C VAL A 618 -0.917 6.916 -4.089 1.00 0.00 C ATOM 1345 O VAL A 618 -1.524 7.762 -4.746 1.00 0.00 O ATOM 1346 CB VAL A 618 0.600 6.159 -5.922 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.476 7.321 -5.482 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.447 5.004 -6.434 1.00 0.00 C ATOM 0 H VAL A 618 -1.659 4.955 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 618 0.302 5.148 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.034 6.503 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.107 7.636 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.846 8.154 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.104 7.008 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.079 5.351 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 618 2.074 4.626 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.796 4.206 -6.791 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.753 7.002 -2.773 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.290 8.122 -2.008 1.00 0.00 C ATOM 1360 C VAL A 619 -0.185 8.846 -1.247 1.00 0.00 C ATOM 1361 O VAL A 619 0.976 8.435 -1.272 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.365 7.656 -1.009 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.523 6.995 -1.741 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.763 6.709 0.019 1.00 0.00 C ATOM 0 H VAL A 619 -0.253 6.310 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.744 8.807 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.750 8.529 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.273 6.672 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.970 7.708 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.157 6.131 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.537 6.390 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.349 5.837 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.971 7.221 0.565 1.00 0.00 H new ATOM 1374 N THR A 620 -0.553 9.930 -0.570 1.00 0.00 N ATOM 1375 CA THR A 620 0.406 10.713 0.198 1.00 0.00 C ATOM 1376 C THR A 620 0.494 10.218 1.638 1.00 0.00 C ATOM 1377 O THR A 620 -0.427 9.571 2.140 1.00 0.00 O ATOM 1378 CB THR A 620 0.034 12.209 0.205 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.344 12.369 0.560 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.287 12.834 -1.159 1.00 0.00 C ATOM 0 H THR A 620 -1.509 10.285 -0.539 1.00 0.00 H new ATOM 0 HA THR A 620 1.374 10.588 -0.287 1.00 0.00 H new ATOM 0 HB THR A 620 0.659 12.714 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.572 13.322 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.018 13.890 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.342 12.735 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.317 12.325 -1.910 1.00 0.00 H new ATOM 1388 N LEU A 621 1.606 10.524 2.297 1.00 0.00 N ATOM 1389 CA LEU A 621 1.813 10.111 3.681 1.00 0.00 C ATOM 1390 C LEU A 621 0.599 10.452 4.539 1.00 0.00 C ATOM 1391 O LEU A 621 0.101 9.612 5.289 1.00 0.00 O ATOM 1392 CB LEU A 621 3.062 10.783 4.253 1.00 0.00 C ATOM 1393 CG LEU A 621 3.344 10.526 5.734 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.330 9.034 6.028 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.678 11.139 6.137 1.00 0.00 C ATOM 0 H LEU A 621 2.378 11.056 1.896 1.00 0.00 H new ATOM 0 HA LEU A 621 1.951 9.030 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.925 10.451 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.973 11.859 4.102 1.00 0.00 H new ATOM 0 HG LEU A 621 2.557 10.999 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.532 8.870 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.352 8.623 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 621 4.095 8.538 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.862 10.946 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.477 10.695 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.651 12.215 5.963 1.00 0.00 H new ATOM 1407 N GLU A 622 0.128 11.689 4.423 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.029 12.141 5.187 1.00 0.00 C ATOM 1409 C GLU A 622 -2.206 11.187 5.007 1.00 0.00 C ATOM 1410 O GLU A 622 -2.911 10.867 5.964 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.433 13.553 4.760 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.230 14.304 5.812 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.563 14.282 7.174 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -0.470 14.870 7.307 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -2.135 13.678 8.105 1.00 0.00 O ATOM 0 H GLU A 622 0.530 12.396 3.807 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.752 12.155 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.534 14.122 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -2.023 13.492 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.362 15.338 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -3.225 13.865 5.891 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.412 10.737 3.774 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.503 9.820 3.468 1.00 0.00 C ATOM 1424 C ASP A 623 -3.333 8.503 4.219 1.00 0.00 C ATOM 1425 O ASP A 623 -4.250 8.042 4.899 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.569 9.558 1.962 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.453 10.555 1.239 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -3.946 11.634 0.864 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.650 10.257 1.047 1.00 0.00 O ATOM 0 H ASP A 623 -1.838 10.992 2.971 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.436 10.283 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.563 9.599 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.945 8.550 1.788 1.00 0.00 H new ATOM 1434 N MET A 624 -2.156 7.901 4.089 1.00 0.00 N ATOM 1435 CA MET A 624 -1.866 6.637 4.755 1.00 0.00 C ATOM 1436 C MET A 624 -2.225 6.708 6.237 1.00 0.00 C ATOM 1437 O MET A 624 -2.893 5.820 6.767 1.00 0.00 O ATOM 1438 CB MET A 624 -0.388 6.277 4.594 1.00 0.00 C ATOM 1439 CG MET A 624 -0.036 4.899 5.131 1.00 0.00 C ATOM 1440 SD MET A 624 1.717 4.732 5.517 1.00 0.00 S ATOM 1441 CE MET A 624 1.689 4.912 7.299 1.00 0.00 C ATOM 0 H MET A 624 -1.387 8.268 3.528 1.00 0.00 H new ATOM 0 HA MET A 624 -2.474 5.862 4.288 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.124 6.325 3.538 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.217 7.024 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.622 4.702 6.029 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.316 4.144 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.704 4.832 7.689 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.276 5.886 7.560 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.070 4.127 7.734 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.778 7.771 6.898 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.052 7.957 8.318 1.00 0.00 C ATOM 1453 C ARG A 625 -3.551 7.901 8.595 1.00 0.00 C ATOM 1454 O ARG A 625 -3.999 7.196 9.499 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.483 9.294 8.798 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.327 9.383 10.308 1.00 0.00 C ATOM 1457 CD ARG A 625 -2.653 9.689 10.987 1.00 0.00 C ATOM 1458 NE ARG A 625 -2.474 10.089 12.380 1.00 0.00 N ATOM 1459 CZ ARG A 625 -2.110 11.311 12.752 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -1.888 12.247 11.840 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -1.968 11.600 14.040 1.00 0.00 N ATOM 0 H ARG A 625 -1.225 8.516 6.473 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.569 7.147 8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.511 9.454 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.136 10.099 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.930 8.443 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.603 10.159 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -3.163 10.484 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -3.295 8.809 10.942 1.00 0.00 H new ATOM 0 HE ARG A 625 -2.637 9.392 13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -1.997 12.030 10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -1.609 13.184 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -2.138 10.883 14.745 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -1.688 12.539 14.324 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.321 8.650 7.812 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.769 8.686 7.974 1.00 0.00 C ATOM 1477 C GLU A 626 -6.370 7.292 7.815 1.00 0.00 C ATOM 1478 O GLU A 626 -7.356 6.951 8.470 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.395 9.642 6.956 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.494 11.075 7.448 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.476 11.904 6.642 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -8.540 11.367 6.272 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.178 13.089 6.382 1.00 0.00 O ATOM 0 H GLU A 626 -3.966 9.240 7.059 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.987 9.044 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.805 9.621 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.393 9.285 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.798 11.075 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.509 11.540 7.402 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.769 6.492 6.941 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.243 5.136 6.696 1.00 0.00 C ATOM 1492 C ILE A 627 -5.901 4.215 7.862 1.00 0.00 C ATOM 1493 O ILE A 627 -6.706 3.371 8.256 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.641 4.553 5.404 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.104 5.363 4.190 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.031 3.091 5.250 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.258 5.138 2.956 1.00 0.00 C ATOM 0 H ILE A 627 -4.953 6.760 6.391 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.326 5.196 6.588 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.555 4.614 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.138 5.104 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.088 6.423 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.598 2.694 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.658 2.523 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.117 3.007 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.643 5.743 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.227 5.424 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.293 4.085 2.678 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.703 4.385 8.412 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.255 3.569 9.534 1.00 0.00 C ATOM 1511 C GLU A 628 -5.102 3.838 10.775 1.00 0.00 C ATOM 1512 O GLU A 628 -5.643 2.915 11.383 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.781 3.846 9.839 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.108 2.744 10.640 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.842 2.427 11.928 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.668 3.179 12.910 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -3.591 1.427 11.954 1.00 0.00 O ATOM 0 H GLU A 628 -4.026 5.080 8.099 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.370 2.521 9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.244 3.981 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.702 4.784 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.046 1.843 10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.086 3.042 10.873 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.212 5.110 11.143 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.992 5.504 12.310 1.00 0.00 C ATOM 1526 C LYS A 629 -7.422 4.982 12.210 1.00 0.00 C ATOM 1527 O LYS A 629 -8.002 4.542 13.202 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.003 7.028 12.451 1.00 0.00 C ATOM 1529 CG LYS A 629 -7.028 7.713 11.564 1.00 0.00 C ATOM 1530 CD LYS A 629 -7.219 9.169 11.954 1.00 0.00 C ATOM 1531 CE LYS A 629 -5.908 9.938 11.897 1.00 0.00 C ATOM 1532 NZ LYS A 629 -6.132 11.408 11.803 1.00 0.00 N ATOM 0 H LYS A 629 -4.771 5.886 10.650 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.525 5.067 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.204 7.287 13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -5.012 7.414 12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.708 7.653 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -7.981 7.188 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -7.944 9.634 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.632 9.226 12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -5.318 9.716 12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -5.327 9.603 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -5.215 11.897 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -6.673 11.622 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -6.664 11.732 12.636 1.00 0.00 H new ATOM 1546 N ASN A 630 -7.982 5.031 11.006 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.344 4.562 10.776 1.00 0.00 C ATOM 1548 C ASN A 630 -9.539 4.150 9.321 1.00 0.00 C ATOM 1549 O ASN A 630 -9.652 4.985 8.423 1.00 0.00 O ATOM 1550 CB ASN A 630 -10.350 5.652 11.150 1.00 0.00 C ATOM 1551 CG ASN A 630 -11.786 5.198 10.971 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -12.072 4.001 10.943 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -12.698 6.155 10.848 1.00 0.00 N ATOM 0 H ASN A 630 -7.514 5.391 10.174 1.00 0.00 H new ATOM 0 HA ASN A 630 -9.513 3.689 11.407 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -10.192 5.948 12.187 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -10.171 6.534 10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -13.680 5.910 10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -12.416 7.135 10.877 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.581 2.831 9.080 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.765 2.279 7.734 1.00 0.00 C ATOM 1562 C PRO A 631 -10.855 3.003 6.953 1.00 0.00 C ATOM 1563 O PRO A 631 -11.746 3.634 7.522 1.00 0.00 O ATOM 1564 CB PRO A 631 -10.173 0.827 8.000 1.00 0.00 C ATOM 1565 CG PRO A 631 -9.550 0.492 9.311 1.00 0.00 C ATOM 1566 CD PRO A 631 -9.455 1.778 10.101 1.00 0.00 C ATOM 0 HA PRO A 631 -8.866 2.380 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -11.257 0.721 8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -9.816 0.165 7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -10.150 -0.245 9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -8.562 0.055 9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -10.247 1.848 10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -8.507 1.850 10.634 1.00 0.00 H new ATOM 1574 N PRO A 632 -10.785 2.914 5.616 1.00 0.00 N ATOM 1575 CA PRO A 632 -11.760 3.555 4.728 1.00 0.00 C ATOM 1576 C PRO A 632 -13.196 3.342 5.193 1.00 0.00 C ATOM 1577 O PRO A 632 -13.601 2.220 5.494 1.00 0.00 O ATOM 1578 CB PRO A 632 -11.524 2.861 3.383 1.00 0.00 C ATOM 1579 CG PRO A 632 -10.095 2.441 3.419 1.00 0.00 C ATOM 1580 CD PRO A 632 -9.750 2.180 4.870 1.00 0.00 C ATOM 0 HA PRO A 632 -11.631 4.637 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -12.186 2.004 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -11.717 3.537 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -9.941 1.545 2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -9.453 3.218 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.771 1.115 5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -8.750 2.540 5.114 1.00 0.00 H new ATOM 1588 N ALA A 633 -13.962 4.426 5.249 1.00 0.00 N ATOM 1589 CA ALA A 633 -15.354 4.357 5.674 1.00 0.00 C ATOM 1590 C ALA A 633 -16.145 3.379 4.810 1.00 0.00 C ATOM 1591 O ALA A 633 -16.353 3.617 3.621 1.00 0.00 O ATOM 1592 CB ALA A 633 -15.991 5.738 5.628 1.00 0.00 C ATOM 0 H ALA A 633 -13.642 5.363 5.005 1.00 0.00 H new ATOM 0 HA ALA A 633 -15.375 3.994 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -17.031 5.670 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -15.450 6.411 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -15.950 6.124 4.609 1.00 0.00 H new ATOM 1598 N GLN A 634 -16.580 2.279 5.417 1.00 0.00 N ATOM 1599 CA GLN A 634 -17.347 1.266 4.702 1.00 0.00 C ATOM 1600 C GLN A 634 -18.844 1.488 4.881 1.00 0.00 C ATOM 1601 O GLN A 634 -19.375 1.352 5.983 1.00 0.00 O ATOM 1602 CB GLN A 634 -16.964 -0.132 5.191 1.00 0.00 C ATOM 1603 CG GLN A 634 -17.209 -1.225 4.163 1.00 0.00 C ATOM 1604 CD GLN A 634 -16.186 -1.214 3.045 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -15.171 -1.909 3.109 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -16.448 -0.423 2.010 1.00 0.00 N ATOM 0 H GLN A 634 -16.414 2.067 6.401 1.00 0.00 H new ATOM 0 HA GLN A 634 -17.111 1.350 3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -15.910 -0.135 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -17.531 -0.360 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -17.190 -2.196 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -18.206 -1.103 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -17.301 0.136 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -15.796 -0.375 1.227 1.00 0.00 H new ATOM 1615 N GLY A 635 -19.522 1.832 3.790 1.00 0.00 N ATOM 1616 CA GLY A 635 -20.953 2.068 3.849 1.00 0.00 C ATOM 1617 C GLY A 635 -21.577 2.191 2.473 1.00 0.00 C ATOM 1618 O GLY A 635 -22.446 1.402 2.104 1.00 0.00 O ATOM 0 H GLY A 635 -19.106 1.951 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -21.431 1.251 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -21.145 2.980 4.415 1.00 0.00 H new ATOM 1622 N LYS A 636 -21.135 3.188 1.712 1.00 0.00 N ATOM 1623 CA LYS A 636 -21.656 3.413 0.369 1.00 0.00 C ATOM 1624 C LYS A 636 -20.535 3.800 -0.592 1.00 0.00 C ATOM 1625 O LYS A 636 -19.522 4.365 -0.182 1.00 0.00 O ATOM 1626 CB LYS A 636 -22.724 4.509 0.390 1.00 0.00 C ATOM 1627 CG LYS A 636 -22.412 5.643 1.352 1.00 0.00 C ATOM 1628 CD LYS A 636 -22.981 5.374 2.735 1.00 0.00 C ATOM 1629 CE LYS A 636 -22.733 6.543 3.676 1.00 0.00 C ATOM 1630 NZ LYS A 636 -23.695 7.655 3.446 1.00 0.00 N ATOM 0 H LYS A 636 -20.418 3.852 2.003 1.00 0.00 H new ATOM 0 HA LYS A 636 -22.105 2.483 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -22.835 4.916 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -23.682 4.066 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -21.332 5.776 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -22.823 6.575 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -24.052 5.187 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -22.529 4.472 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -22.813 6.201 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -21.715 6.909 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -23.492 8.432 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -23.601 7.999 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -24.665 7.313 3.601 1.00 0.00 H new ATOM 1644 N SER A 637 -20.726 3.491 -1.870 1.00 0.00 N ATOM 1645 CA SER A 637 -19.729 3.804 -2.888 1.00 0.00 C ATOM 1646 C SER A 637 -19.962 5.197 -3.467 1.00 0.00 C ATOM 1647 O SER A 637 -21.081 5.711 -3.446 1.00 0.00 O ATOM 1648 CB SER A 637 -19.767 2.762 -4.007 1.00 0.00 C ATOM 1649 OG SER A 637 -20.872 2.978 -4.868 1.00 0.00 O ATOM 0 H SER A 637 -21.561 3.025 -2.226 1.00 0.00 H new ATOM 0 HA SER A 637 -18.746 3.785 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 637 -18.841 2.806 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 637 -19.828 1.763 -3.576 1.00 0.00 H new ATOM 0 HG SER A 637 -20.873 2.300 -5.576 1.00 0.00 H new ATOM 1655 N GLY A 638 -18.898 5.802 -3.983 1.00 0.00 N ATOM 1656 CA GLY A 638 -19.007 7.130 -4.560 1.00 0.00 C ATOM 1657 C GLY A 638 -18.935 7.111 -6.074 1.00 0.00 C ATOM 1658 O GLY A 638 -19.933 6.888 -6.761 1.00 0.00 O ATOM 0 H GLY A 638 -17.962 5.397 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -19.949 7.582 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -18.208 7.760 -4.169 1.00 0.00 H new ATOM 1662 N PRO A 639 -17.733 7.352 -6.617 1.00 0.00 N ATOM 1663 CA PRO A 639 -17.507 7.369 -8.065 1.00 0.00 C ATOM 1664 C PRO A 639 -17.370 5.966 -8.646 1.00 0.00 C ATOM 1665 O PRO A 639 -16.657 5.758 -9.629 1.00 0.00 O ATOM 1666 CB PRO A 639 -16.192 8.139 -8.211 1.00 0.00 C ATOM 1667 CG PRO A 639 -15.466 7.895 -6.932 1.00 0.00 C ATOM 1668 CD PRO A 639 -16.500 7.626 -5.859 1.00 0.00 C ATOM 0 HA PRO A 639 -18.342 7.819 -8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -15.618 7.783 -9.066 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -16.371 9.203 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -14.789 7.046 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -14.856 8.759 -6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -16.217 6.778 -5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -16.620 8.483 -5.196 1.00 0.00 H new ATOM 1676 N SER A 640 -18.057 5.007 -8.035 1.00 0.00 N ATOM 1677 CA SER A 640 -18.009 3.622 -8.490 1.00 0.00 C ATOM 1678 C SER A 640 -19.136 3.336 -9.479 1.00 0.00 C ATOM 1679 O SER A 640 -18.899 2.833 -10.577 1.00 0.00 O ATOM 1680 CB SER A 640 -18.105 2.667 -7.298 1.00 0.00 C ATOM 1681 OG SER A 640 -17.414 1.458 -7.556 1.00 0.00 O ATOM 0 H SER A 640 -18.654 5.163 -7.223 1.00 0.00 H new ATOM 0 HA SER A 640 -17.056 3.464 -8.996 1.00 0.00 H new ATOM 0 HB2 SER A 640 -17.689 3.145 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 640 -19.152 2.452 -7.083 1.00 0.00 H new ATOM 0 HG SER A 640 -17.489 0.866 -6.779 1.00 0.00 H new ATOM 1687 N SER A 641 -20.361 3.660 -9.079 1.00 0.00 N ATOM 1688 CA SER A 641 -21.526 3.435 -9.927 1.00 0.00 C ATOM 1689 C SER A 641 -21.466 4.311 -11.175 1.00 0.00 C ATOM 1690 O SER A 641 -22.006 5.416 -11.198 1.00 0.00 O ATOM 1691 CB SER A 641 -22.812 3.723 -9.150 1.00 0.00 C ATOM 1692 OG SER A 641 -23.196 2.604 -8.368 1.00 0.00 O ATOM 0 H SER A 641 -20.573 4.079 -8.173 1.00 0.00 H new ATOM 0 HA SER A 641 -21.523 2.390 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 641 -22.665 4.589 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 641 -23.612 3.977 -9.846 1.00 0.00 H new ATOM 0 HG SER A 641 -24.019 2.813 -7.880 1.00 0.00 H new ATOM 1698 N GLY A 642 -20.805 3.806 -12.213 1.00 0.00 N ATOM 1699 CA GLY A 642 -20.687 4.554 -13.451 1.00 0.00 C ATOM 1700 C GLY A 642 -19.599 4.010 -14.355 1.00 0.00 C ATOM 1701 O GLY A 642 -18.412 4.229 -14.111 1.00 0.00 O ATOM 0 H GLY A 642 -20.350 2.893 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -21.640 4.529 -13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -20.476 5.599 -13.222 1.00 0.00 H new TER 1705 GLY A 642