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 545 CYS SG : rot 180:sc= -0.879 USER MOD Set 1.2: A 624 MET CE :methyl 180:sc= -0.122 (180deg=-0.122) USER MOD Set 2.1: A 540 ASN : amide:sc= -0.0206 X(o=0.56,f=0.26) USER MOD Set 2.2: A 541 SER OG : rot 29:sc= 0.585 USER MOD Single : A 530 SER OG : rot 180:sc= 0 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 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 HIS :FLIP no HD1:sc= -4.81! C(o=-7.3!,f=-4.8!) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -3.29! C(o=-3.3!,f=-5.2!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 ASN : amide:sc= -0.0605 X(o=-0.06,f=-0.48) USER MOD Single : A 575 HIS :FLIP no HE2:sc= -0.0133 F(o=-0.79,f=-0.013) USER MOD Single : A 580 ASN : amide:sc=-0.00688 K(o=-0.0069,f=-1.4) USER MOD Single : A 581 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 583 GLN : amide:sc=-0.00111 K(o=-0.0011,f=-1.1) USER MOD Single : A 587 GLN : amide:sc= -0.934 K(o=-0.93,f=-2.3) USER MOD Single : A 591 GLN : amide:sc= -0.0673 K(o=-0.067,f=-1.4!) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -67:sc= 0.735 USER MOD Single : A 605 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-6.6!) 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= -1.27 X(o=-1.3,f=-1.2) 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 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.38!) USER MOD Single : A 634 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.5!) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 48:sc= 0.093 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 -5.644 31.664 -18.604 1.00 0.00 N ATOM 2 CA GLY A 529 -5.686 30.391 -17.910 1.00 0.00 C ATOM 3 C GLY A 529 -4.489 30.185 -17.002 1.00 0.00 C ATOM 4 O GLY A 529 -3.451 30.821 -17.178 1.00 0.00 O ATOM 0 HA2 GLY A 529 -6.600 30.333 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -5.727 29.583 -18.641 1.00 0.00 H new ATOM 8 N SER A 530 -4.635 29.294 -16.026 1.00 0.00 N ATOM 9 CA SER A 530 -3.560 29.010 -15.082 1.00 0.00 C ATOM 10 C SER A 530 -2.934 27.649 -15.366 1.00 0.00 C ATOM 11 O SER A 530 -3.510 26.610 -15.045 1.00 0.00 O ATOM 12 CB SER A 530 -4.088 29.053 -13.647 1.00 0.00 C ATOM 13 OG SER A 530 -3.050 28.806 -12.716 1.00 0.00 O ATOM 0 H SER A 530 -5.487 28.756 -15.868 1.00 0.00 H new ATOM 0 HA SER A 530 -2.793 29.775 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 530 -4.534 30.028 -13.449 1.00 0.00 H new ATOM 0 HB3 SER A 530 -4.876 28.310 -13.523 1.00 0.00 H new ATOM 0 HG SER A 530 -3.412 28.840 -11.806 1.00 0.00 H new ATOM 19 N SER A 531 -1.751 27.663 -15.972 1.00 0.00 N ATOM 20 CA SER A 531 -1.047 26.430 -16.304 1.00 0.00 C ATOM 21 C SER A 531 0.059 26.147 -15.291 1.00 0.00 C ATOM 22 O SER A 531 0.413 27.006 -14.486 1.00 0.00 O ATOM 23 CB SER A 531 -0.454 26.518 -17.712 1.00 0.00 C ATOM 24 OG SER A 531 0.558 27.508 -17.778 1.00 0.00 O ATOM 0 H SER A 531 -1.260 28.515 -16.243 1.00 0.00 H new ATOM 0 HA SER A 531 -1.765 25.611 -16.271 1.00 0.00 H new ATOM 0 HB2 SER A 531 -0.040 25.551 -17.997 1.00 0.00 H new ATOM 0 HB3 SER A 531 -1.242 26.751 -18.428 1.00 0.00 H new ATOM 0 HG SER A 531 0.922 27.543 -18.687 1.00 0.00 H new ATOM 30 N GLY A 532 0.601 24.934 -15.339 1.00 0.00 N ATOM 31 CA GLY A 532 1.660 24.556 -14.423 1.00 0.00 C ATOM 32 C GLY A 532 1.699 23.064 -14.163 1.00 0.00 C ATOM 33 O GLY A 532 0.804 22.330 -14.582 1.00 0.00 O ATOM 0 H GLY A 532 0.325 24.206 -15.997 1.00 0.00 H new ATOM 0 HA2 GLY A 532 2.619 24.875 -14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 532 1.524 25.082 -13.478 1.00 0.00 H new ATOM 37 N SER A 533 2.740 22.612 -13.470 1.00 0.00 N ATOM 38 CA SER A 533 2.895 21.196 -13.160 1.00 0.00 C ATOM 39 C SER A 533 1.974 20.786 -12.015 1.00 0.00 C ATOM 40 O SER A 533 1.759 21.550 -11.074 1.00 0.00 O ATOM 41 CB SER A 533 4.349 20.889 -12.795 1.00 0.00 C ATOM 42 OG SER A 533 5.130 20.663 -13.956 1.00 0.00 O ATOM 0 H SER A 533 3.488 23.206 -13.113 1.00 0.00 H new ATOM 0 HA SER A 533 2.621 20.623 -14.046 1.00 0.00 H new ATOM 0 HB2 SER A 533 4.768 21.720 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 533 4.388 20.011 -12.150 1.00 0.00 H new ATOM 0 HG SER A 533 6.055 20.471 -13.696 1.00 0.00 H new ATOM 48 N SER A 534 1.432 19.576 -12.104 1.00 0.00 N ATOM 49 CA SER A 534 0.531 19.065 -11.078 1.00 0.00 C ATOM 50 C SER A 534 0.993 19.490 -9.687 1.00 0.00 C ATOM 51 O SER A 534 0.208 19.995 -8.888 1.00 0.00 O ATOM 52 CB SER A 534 0.448 17.539 -11.155 1.00 0.00 C ATOM 53 OG SER A 534 1.740 16.957 -11.146 1.00 0.00 O ATOM 0 H SER A 534 1.601 18.931 -12.876 1.00 0.00 H new ATOM 0 HA SER A 534 -0.458 19.486 -11.258 1.00 0.00 H new ATOM 0 HB2 SER A 534 -0.131 17.160 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 534 -0.080 17.246 -12.062 1.00 0.00 H new ATOM 0 HG SER A 534 1.660 15.981 -11.194 1.00 0.00 H new ATOM 59 N GLY A 535 2.277 19.281 -9.408 1.00 0.00 N ATOM 60 CA GLY A 535 2.823 19.647 -8.114 1.00 0.00 C ATOM 61 C GLY A 535 3.902 20.707 -8.219 1.00 0.00 C ATOM 62 O GLY A 535 4.970 20.461 -8.777 1.00 0.00 O ATOM 0 H GLY A 535 2.948 18.865 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 535 2.020 20.013 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.235 18.760 -7.633 1.00 0.00 H new ATOM 66 N GLU A 536 3.620 21.891 -7.683 1.00 0.00 N ATOM 67 CA GLU A 536 4.575 22.992 -7.722 1.00 0.00 C ATOM 68 C GLU A 536 5.922 22.566 -7.146 1.00 0.00 C ATOM 69 O GLU A 536 6.959 22.709 -7.793 1.00 0.00 O ATOM 70 CB GLU A 536 4.033 24.193 -6.944 1.00 0.00 C ATOM 71 CG GLU A 536 4.742 25.498 -7.269 1.00 0.00 C ATOM 72 CD GLU A 536 4.086 26.697 -6.611 1.00 0.00 C ATOM 73 OE1 GLU A 536 2.984 27.086 -7.050 1.00 0.00 O ATOM 74 OE2 GLU A 536 4.677 27.246 -5.658 1.00 0.00 O ATOM 0 H GLU A 536 2.740 22.112 -7.218 1.00 0.00 H new ATOM 0 HA GLU A 536 4.719 23.277 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.970 24.304 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 536 4.125 23.995 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 536 5.781 25.433 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 536 4.753 25.642 -8.349 1.00 0.00 H new ATOM 81 N GLY A 537 5.898 22.042 -5.925 1.00 0.00 N ATOM 82 CA GLY A 537 7.123 21.602 -5.282 1.00 0.00 C ATOM 83 C GLY A 537 7.159 20.102 -5.067 1.00 0.00 C ATOM 84 O GLY A 537 6.142 19.490 -4.740 1.00 0.00 O ATOM 0 H GLY A 537 5.052 21.914 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 537 7.976 21.899 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 537 7.227 22.106 -4.321 1.00 0.00 H new ATOM 88 N ASP A 538 8.332 19.508 -5.253 1.00 0.00 N ATOM 89 CA ASP A 538 8.498 18.070 -5.078 1.00 0.00 C ATOM 90 C ASP A 538 8.332 17.678 -3.613 1.00 0.00 C ATOM 91 O ASP A 538 7.618 16.728 -3.291 1.00 0.00 O ATOM 92 CB ASP A 538 9.871 17.628 -5.585 1.00 0.00 C ATOM 93 CG ASP A 538 10.084 17.963 -7.048 1.00 0.00 C ATOM 94 OD1 ASP A 538 9.757 19.099 -7.450 1.00 0.00 O ATOM 95 OD2 ASP A 538 10.578 17.089 -7.790 1.00 0.00 O ATOM 0 H ASP A 538 9.183 20.000 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 538 7.726 17.567 -5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 538 10.647 18.108 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 538 9.979 16.553 -5.442 1.00 0.00 H new ATOM 100 N VAL A 539 8.998 18.416 -2.729 1.00 0.00 N ATOM 101 CA VAL A 539 8.924 18.146 -1.298 1.00 0.00 C ATOM 102 C VAL A 539 7.530 18.440 -0.755 1.00 0.00 C ATOM 103 O VAL A 539 6.948 17.626 -0.039 1.00 0.00 O ATOM 104 CB VAL A 539 9.955 18.980 -0.516 1.00 0.00 C ATOM 105 CG1 VAL A 539 11.370 18.576 -0.900 1.00 0.00 C ATOM 106 CG2 VAL A 539 9.732 20.465 -0.757 1.00 0.00 C ATOM 0 H VAL A 539 9.594 19.205 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 539 9.147 17.088 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 539 9.823 18.784 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 539 12.085 19.176 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 539 11.522 17.521 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 539 11.518 18.741 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 539 10.470 21.039 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 539 9.836 20.681 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 539 8.730 20.741 -0.427 1.00 0.00 H new ATOM 116 N ASN A 540 7.002 19.610 -1.098 1.00 0.00 N ATOM 117 CA ASN A 540 5.676 20.013 -0.645 1.00 0.00 C ATOM 118 C ASN A 540 4.708 18.834 -0.680 1.00 0.00 C ATOM 119 O ASN A 540 3.997 18.572 0.290 1.00 0.00 O ATOM 120 CB ASN A 540 5.141 21.153 -1.513 1.00 0.00 C ATOM 121 CG ASN A 540 3.627 21.239 -1.487 1.00 0.00 C ATOM 122 OD1 ASN A 540 2.944 20.591 -2.278 1.00 0.00 O ATOM 123 ND2 ASN A 540 3.097 22.044 -0.573 1.00 0.00 N ATOM 0 H ASN A 540 7.472 20.296 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 540 5.761 20.360 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 540 5.562 22.097 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 540 5.476 21.012 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 540 2.084 22.144 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 540 3.703 22.562 0.063 1.00 0.00 H new ATOM 130 N SER A 541 4.686 18.127 -1.805 1.00 0.00 N ATOM 131 CA SER A 541 3.803 16.978 -1.969 1.00 0.00 C ATOM 132 C SER A 541 4.467 15.899 -2.819 1.00 0.00 C ATOM 133 O SER A 541 4.756 16.111 -3.996 1.00 0.00 O ATOM 134 CB SER A 541 2.483 17.409 -2.613 1.00 0.00 C ATOM 135 OG SER A 541 2.702 17.975 -3.894 1.00 0.00 O ATOM 0 H SER A 541 5.270 18.330 -2.617 1.00 0.00 H new ATOM 0 HA SER A 541 3.599 16.565 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.819 16.549 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 541 1.982 18.134 -1.972 1.00 0.00 H new ATOM 0 HG SER A 541 3.507 17.583 -4.292 1.00 0.00 H new ATOM 141 N ALA A 542 4.706 14.741 -2.212 1.00 0.00 N ATOM 142 CA ALA A 542 5.334 13.628 -2.911 1.00 0.00 C ATOM 143 C ALA A 542 4.706 12.299 -2.504 1.00 0.00 C ATOM 144 O ALA A 542 4.672 11.953 -1.323 1.00 0.00 O ATOM 145 CB ALA A 542 6.831 13.610 -2.641 1.00 0.00 C ATOM 0 H ALA A 542 4.474 14.550 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 542 5.171 13.766 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.286 12.773 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.275 14.543 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.006 13.501 -1.571 1.00 0.00 H new ATOM 151 N LYS A 543 4.210 11.557 -3.489 1.00 0.00 N ATOM 152 CA LYS A 543 3.584 10.266 -3.234 1.00 0.00 C ATOM 153 C LYS A 543 4.631 9.211 -2.893 1.00 0.00 C ATOM 154 O LYS A 543 5.216 8.592 -3.783 1.00 0.00 O ATOM 155 CB LYS A 543 2.773 9.820 -4.453 1.00 0.00 C ATOM 156 CG LYS A 543 1.356 10.368 -4.475 1.00 0.00 C ATOM 157 CD LYS A 543 1.293 11.725 -5.154 1.00 0.00 C ATOM 158 CE LYS A 543 -0.101 12.021 -5.684 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.142 13.288 -6.464 1.00 0.00 N ATOM 0 H LYS A 543 4.230 11.829 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 543 2.915 10.377 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.290 10.137 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.733 8.731 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.703 9.669 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 543 0.982 10.453 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.586 12.501 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 543 2.009 11.755 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.432 11.196 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.800 12.085 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.110 13.453 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.149 14.080 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 0.506 13.218 -7.275 1.00 0.00 H new ATOM 173 N VAL A 544 4.862 9.008 -1.600 1.00 0.00 N ATOM 174 CA VAL A 544 5.837 8.026 -1.142 1.00 0.00 C ATOM 175 C VAL A 544 5.158 6.885 -0.393 1.00 0.00 C ATOM 176 O VAL A 544 5.800 6.155 0.361 1.00 0.00 O ATOM 177 CB VAL A 544 6.894 8.669 -0.224 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.814 9.579 -1.025 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.222 9.437 0.904 1.00 0.00 C ATOM 0 H VAL A 544 4.387 9.511 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 544 6.329 7.632 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 544 7.499 7.876 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.554 10.024 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.321 8.997 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.227 10.368 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.983 9.885 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.592 10.222 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.609 8.755 1.493 1.00 0.00 H new ATOM 189 N CYS A 545 3.855 6.737 -0.609 1.00 0.00 N ATOM 190 CA CYS A 545 3.087 5.684 0.046 1.00 0.00 C ATOM 191 C CYS A 545 2.165 4.985 -0.948 1.00 0.00 C ATOM 192 O CYS A 545 1.714 5.588 -1.922 1.00 0.00 O ATOM 193 CB CYS A 545 2.266 6.264 1.198 1.00 0.00 C ATOM 194 SG CYS A 545 3.136 6.289 2.784 1.00 0.00 S ATOM 0 H CYS A 545 3.309 7.332 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 545 3.789 4.950 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.969 7.281 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.351 5.682 1.307 1.00 0.00 H new ATOM 0 HG CYS A 545 2.362 6.798 3.696 1.00 0.00 H new ATOM 200 N ALA A 546 1.892 3.709 -0.697 1.00 0.00 N ATOM 201 CA ALA A 546 1.024 2.928 -1.570 1.00 0.00 C ATOM 202 C ALA A 546 0.123 2.001 -0.761 1.00 0.00 C ATOM 203 O ALA A 546 0.598 1.227 0.070 1.00 0.00 O ATOM 204 CB ALA A 546 1.855 2.126 -2.560 1.00 0.00 C ATOM 0 H ALA A 546 2.259 3.194 0.103 1.00 0.00 H new ATOM 0 HA ALA A 546 0.388 3.620 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.194 1.548 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.452 2.805 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.515 1.449 -2.017 1.00 0.00 H new ATOM 210 N HIS A 547 -1.181 2.085 -1.010 1.00 0.00 N ATOM 211 CA HIS A 547 -2.149 1.253 -0.304 1.00 0.00 C ATOM 212 C HIS A 547 -2.478 0.000 -1.109 1.00 0.00 C ATOM 213 O HIS A 547 -3.021 0.084 -2.211 1.00 0.00 O ATOM 214 CB HIS A 547 -3.427 2.045 -0.026 1.00 0.00 C ATOM 215 CG HIS A 547 -4.335 1.389 0.968 1.00 0.00 C ATOM 216 ND1 HIS A 547 -4.057 0.619 2.046 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.708 1.487 0.913 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.256 0.272 2.618 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.237 0.809 1.915 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.591 2.720 -1.695 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.706 0.948 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -3.158 3.036 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.968 2.186 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -6.265 2.033 0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.377 -0.340 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -7.233 0.716 2.113 1.00 0.00 H new ATOM 227 N ILE A 548 -2.144 -1.160 -0.553 1.00 0.00 N ATOM 228 CA ILE A 548 -2.404 -2.429 -1.219 1.00 0.00 C ATOM 229 C ILE A 548 -3.747 -3.010 -0.790 1.00 0.00 C ATOM 230 O ILE A 548 -3.958 -3.317 0.384 1.00 0.00 O ATOM 231 CB ILE A 548 -1.296 -3.458 -0.925 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.070 -2.894 -1.321 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.572 -4.759 -1.662 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.223 -3.817 -0.994 1.00 0.00 C ATOM 0 H ILE A 548 -1.693 -1.246 0.358 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.424 -2.224 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.287 -3.665 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.072 -2.688 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.222 -1.942 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.780 -5.476 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.529 -5.166 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.605 -4.570 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.160 -3.353 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.247 -4.003 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.095 -4.761 -1.523 1.00 0.00 H new ATOM 246 N THR A 549 -4.655 -3.161 -1.750 1.00 0.00 N ATOM 247 CA THR A 549 -5.977 -3.706 -1.473 1.00 0.00 C ATOM 248 C THR A 549 -6.246 -4.951 -2.311 1.00 0.00 C ATOM 249 O THR A 549 -5.445 -5.316 -3.171 1.00 0.00 O ATOM 250 CB THR A 549 -7.081 -2.668 -1.748 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.011 -2.224 -3.108 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.948 -1.475 -0.813 1.00 0.00 C ATOM 0 H THR A 549 -4.498 -2.913 -2.727 1.00 0.00 H new ATOM 0 HA THR A 549 -5.994 -3.973 -0.416 1.00 0.00 H new ATOM 0 HB THR A 549 -8.046 -3.143 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.718 -1.566 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.739 -0.756 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.033 -1.811 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.977 -1.002 -0.962 1.00 0.00 H new ATOM 260 N ASN A 550 -7.379 -5.597 -2.056 1.00 0.00 N ATOM 261 CA ASN A 550 -7.753 -6.801 -2.788 1.00 0.00 C ATOM 262 C ASN A 550 -6.810 -7.954 -2.458 1.00 0.00 C ATOM 263 O ASN A 550 -6.548 -8.816 -3.299 1.00 0.00 O ATOM 264 CB ASN A 550 -7.741 -6.532 -4.294 1.00 0.00 C ATOM 265 CG ASN A 550 -8.434 -7.627 -5.083 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.610 -8.743 -4.594 1.00 0.00 O ATOM 267 ND2 ASN A 550 -8.833 -7.310 -6.310 1.00 0.00 N ATOM 0 H ASN A 550 -8.054 -5.307 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.761 -7.082 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.230 -5.579 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.710 -6.439 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.307 -8.005 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.666 -6.372 -6.674 1.00 0.00 H new ATOM 274 N ILE A 551 -6.301 -7.963 -1.230 1.00 0.00 N ATOM 275 CA ILE A 551 -5.388 -9.010 -0.789 1.00 0.00 C ATOM 276 C ILE A 551 -6.082 -9.978 0.162 1.00 0.00 C ATOM 277 O ILE A 551 -7.043 -9.632 0.851 1.00 0.00 O ATOM 278 CB ILE A 551 -4.150 -8.419 -0.090 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.575 -7.495 1.053 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.285 -7.669 -1.091 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.444 -7.134 1.990 1.00 0.00 C ATOM 0 H ILE A 551 -6.506 -7.257 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.068 -9.548 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.562 -9.236 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.994 -6.581 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.369 -7.977 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.414 -7.257 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -2.958 -8.353 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.863 -6.858 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.818 -6.477 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -3.039 -8.041 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.659 -6.623 1.433 1.00 0.00 H new ATOM 293 N PRO A 552 -5.584 -11.223 0.206 1.00 0.00 N ATOM 294 CA PRO A 552 -6.139 -12.268 1.072 1.00 0.00 C ATOM 295 C PRO A 552 -5.735 -12.087 2.531 1.00 0.00 C ATOM 296 O PRO A 552 -4.592 -11.739 2.830 1.00 0.00 O ATOM 297 CB PRO A 552 -5.536 -13.556 0.506 1.00 0.00 C ATOM 298 CG PRO A 552 -4.250 -13.130 -0.116 1.00 0.00 C ATOM 299 CD PRO A 552 -4.441 -11.707 -0.586 1.00 0.00 C ATOM 0 HA PRO A 552 -7.229 -12.257 1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.371 -14.294 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.199 -14.014 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.433 -13.193 0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.990 -13.781 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.549 -11.105 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.649 -11.664 -1.655 1.00 0.00 H new ATOM 307 N PHE A 553 -6.678 -12.326 3.436 1.00 0.00 N ATOM 308 CA PHE A 553 -6.419 -12.188 4.864 1.00 0.00 C ATOM 309 C PHE A 553 -5.846 -13.480 5.440 1.00 0.00 C ATOM 310 O PHE A 553 -6.014 -13.773 6.623 1.00 0.00 O ATOM 311 CB PHE A 553 -7.706 -11.815 5.603 1.00 0.00 C ATOM 312 CG PHE A 553 -8.904 -12.604 5.159 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.193 -13.831 5.734 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.740 -12.120 4.166 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.295 -14.560 5.328 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.843 -12.845 3.755 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.121 -14.067 4.337 1.00 0.00 C ATOM 0 H PHE A 553 -7.628 -12.616 3.206 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.686 -11.393 5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.558 -11.966 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.905 -10.754 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.550 -14.222 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.528 -11.165 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.510 -15.514 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.487 -12.457 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.982 -14.635 4.018 1.00 0.00 H new ATOM 327 N SER A 554 -5.169 -14.249 4.593 1.00 0.00 N ATOM 328 CA SER A 554 -4.573 -15.511 5.016 1.00 0.00 C ATOM 329 C SER A 554 -3.059 -15.382 5.141 1.00 0.00 C ATOM 330 O SER A 554 -2.423 -16.119 5.896 1.00 0.00 O ATOM 331 CB SER A 554 -4.922 -16.621 4.021 1.00 0.00 C ATOM 332 OG SER A 554 -6.325 -16.752 3.874 1.00 0.00 O ATOM 0 H SER A 554 -5.020 -14.020 3.610 1.00 0.00 H new ATOM 0 HA SER A 554 -4.979 -15.768 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.471 -16.401 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.499 -17.566 4.363 1.00 0.00 H new ATOM 0 HG SER A 554 -6.521 -17.466 3.232 1.00 0.00 H new ATOM 338 N ILE A 555 -2.487 -14.441 4.398 1.00 0.00 N ATOM 339 CA ILE A 555 -1.047 -14.215 4.427 1.00 0.00 C ATOM 340 C ILE A 555 -0.649 -13.364 5.627 1.00 0.00 C ATOM 341 O ILE A 555 -1.496 -12.953 6.421 1.00 0.00 O ATOM 342 CB ILE A 555 -0.561 -13.525 3.139 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.072 -12.085 3.081 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.017 -14.305 1.914 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.395 -11.245 2.019 1.00 0.00 C ATOM 0 H ILE A 555 -2.998 -13.823 3.768 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.574 -15.194 4.506 1.00 0.00 H new ATOM 0 HB ILE A 555 0.529 -13.503 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.146 -12.096 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.923 -11.616 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.665 -13.804 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.607 -15.314 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.106 -14.356 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.807 -10.236 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.676 -11.203 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.566 -11.691 1.039 1.00 0.00 H new ATOM 357 N THR A 556 0.648 -13.101 5.755 1.00 0.00 N ATOM 358 CA THR A 556 1.160 -12.297 6.858 1.00 0.00 C ATOM 359 C THR A 556 2.056 -11.175 6.352 1.00 0.00 C ATOM 360 O THR A 556 2.324 -11.071 5.154 1.00 0.00 O ATOM 361 CB THR A 556 1.952 -13.160 7.860 1.00 0.00 C ATOM 362 OG1 THR A 556 2.998 -13.863 7.180 1.00 0.00 O ATOM 363 CG2 THR A 556 1.038 -14.153 8.561 1.00 0.00 C ATOM 0 H THR A 556 1.363 -13.433 5.108 1.00 0.00 H new ATOM 0 HA THR A 556 0.296 -11.866 7.363 1.00 0.00 H new ATOM 0 HB THR A 556 2.387 -12.500 8.611 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.498 -14.408 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.620 -14.750 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.261 -13.613 9.102 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.578 -14.808 7.822 1.00 0.00 H new ATOM 371 N LYS A 557 2.520 -10.333 7.269 1.00 0.00 N ATOM 372 CA LYS A 557 3.390 -9.218 6.917 1.00 0.00 C ATOM 373 C LYS A 557 4.571 -9.693 6.077 1.00 0.00 C ATOM 374 O LYS A 557 4.937 -9.059 5.089 1.00 0.00 O ATOM 375 CB LYS A 557 3.897 -8.519 8.181 1.00 0.00 C ATOM 376 CG LYS A 557 4.295 -7.071 7.957 1.00 0.00 C ATOM 377 CD LYS A 557 4.474 -6.333 9.273 1.00 0.00 C ATOM 378 CE LYS A 557 5.822 -6.642 9.907 1.00 0.00 C ATOM 379 NZ LYS A 557 6.006 -5.924 11.197 1.00 0.00 N ATOM 0 H LYS A 557 2.307 -10.402 8.264 1.00 0.00 H new ATOM 0 HA LYS A 557 2.809 -8.510 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.120 -8.560 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.755 -9.067 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.223 -7.032 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.533 -6.571 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.388 -5.260 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.675 -6.613 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.907 -7.716 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.620 -6.362 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.936 -6.161 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.950 -4.898 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.260 -6.210 11.863 1.00 0.00 H new ATOM 393 N MET A 558 5.163 -10.814 6.478 1.00 0.00 N ATOM 394 CA MET A 558 6.302 -11.375 5.760 1.00 0.00 C ATOM 395 C MET A 558 5.972 -11.568 4.284 1.00 0.00 C ATOM 396 O MET A 558 6.676 -11.061 3.409 1.00 0.00 O ATOM 397 CB MET A 558 6.716 -12.710 6.381 1.00 0.00 C ATOM 398 CG MET A 558 7.587 -12.562 7.618 1.00 0.00 C ATOM 399 SD MET A 558 6.626 -12.246 9.110 1.00 0.00 S ATOM 400 CE MET A 558 7.920 -11.764 10.250 1.00 0.00 C ATOM 0 H MET A 558 4.873 -11.351 7.295 1.00 0.00 H new ATOM 0 HA MET A 558 7.132 -10.673 5.840 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.820 -13.273 6.643 1.00 0.00 H new ATOM 0 HB3 MET A 558 7.254 -13.296 5.636 1.00 0.00 H new ATOM 0 HG2 MET A 558 8.175 -13.470 7.755 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.293 -11.745 7.465 1.00 0.00 H new ATOM 0 HE1 MET A 558 7.482 -11.536 11.222 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.634 -12.581 10.356 1.00 0.00 H new ATOM 0 HE3 MET A 558 8.432 -10.882 9.867 1.00 0.00 H new ATOM 410 N ASP A 559 4.899 -12.302 4.013 1.00 0.00 N ATOM 411 CA ASP A 559 4.476 -12.561 2.641 1.00 0.00 C ATOM 412 C ASP A 559 4.534 -11.287 1.804 1.00 0.00 C ATOM 413 O ASP A 559 5.109 -11.271 0.717 1.00 0.00 O ATOM 414 CB ASP A 559 3.059 -13.135 2.622 1.00 0.00 C ATOM 415 CG ASP A 559 3.019 -14.595 3.028 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.207 -14.883 4.229 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.800 -15.451 2.146 1.00 0.00 O ATOM 0 H ASP A 559 4.306 -12.728 4.725 1.00 0.00 H new ATOM 0 HA ASP A 559 5.161 -13.290 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.427 -12.556 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.640 -13.028 1.621 1.00 0.00 H new ATOM 422 N VAL A 560 3.932 -10.218 2.320 1.00 0.00 N ATOM 423 CA VAL A 560 3.915 -8.939 1.621 1.00 0.00 C ATOM 424 C VAL A 560 5.317 -8.535 1.180 1.00 0.00 C ATOM 425 O VAL A 560 5.580 -8.364 -0.012 1.00 0.00 O ATOM 426 CB VAL A 560 3.326 -7.824 2.505 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.402 -6.483 1.795 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.891 -8.153 2.891 1.00 0.00 C ATOM 0 H VAL A 560 3.450 -10.214 3.219 1.00 0.00 H new ATOM 0 HA VAL A 560 3.283 -9.067 0.742 1.00 0.00 H new ATOM 0 HB VAL A 560 3.918 -7.757 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.981 -5.708 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.443 -6.246 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.837 -6.531 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.490 -7.355 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.285 -8.248 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.869 -9.092 3.444 1.00 0.00 H new ATOM 438 N LEU A 561 6.215 -8.385 2.147 1.00 0.00 N ATOM 439 CA LEU A 561 7.593 -8.001 1.858 1.00 0.00 C ATOM 440 C LEU A 561 8.109 -8.718 0.615 1.00 0.00 C ATOM 441 O LEU A 561 8.979 -8.208 -0.090 1.00 0.00 O ATOM 442 CB LEU A 561 8.493 -8.319 3.054 1.00 0.00 C ATOM 443 CG LEU A 561 8.162 -7.588 4.356 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.812 -8.286 5.540 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.608 -6.135 4.279 1.00 0.00 C ATOM 0 H LEU A 561 6.014 -8.523 3.137 1.00 0.00 H new ATOM 0 HA LEU A 561 7.613 -6.927 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.449 -9.392 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.522 -8.086 2.781 1.00 0.00 H new ATOM 0 HG LEU A 561 7.081 -7.608 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.565 -7.752 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.444 -9.310 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.894 -8.298 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.365 -5.630 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.685 -6.093 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 561 8.095 -5.640 3.455 1.00 0.00 H new ATOM 457 N GLN A 562 7.565 -9.901 0.352 1.00 0.00 N ATOM 458 CA GLN A 562 7.969 -10.687 -0.808 1.00 0.00 C ATOM 459 C GLN A 562 7.328 -10.147 -2.082 1.00 0.00 C ATOM 460 O GLN A 562 7.985 -10.024 -3.116 1.00 0.00 O ATOM 461 CB GLN A 562 7.589 -12.156 -0.614 1.00 0.00 C ATOM 462 CG GLN A 562 8.330 -13.104 -1.543 1.00 0.00 C ATOM 463 CD GLN A 562 7.649 -14.455 -1.662 1.00 0.00 C ATOM 464 OE1 GLN A 562 7.254 -14.869 -2.752 1.00 0.00 O ATOM 465 NE2 GLN A 562 7.508 -15.147 -0.538 1.00 0.00 N ATOM 0 H GLN A 562 6.843 -10.337 0.926 1.00 0.00 H new ATOM 0 HA GLN A 562 9.052 -10.610 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.790 -12.441 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.517 -12.269 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.407 -12.652 -2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.347 -13.245 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 562 7.851 -14.764 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 562 7.057 -16.062 -0.555 1.00 0.00 H new ATOM 474 N PHE A 563 6.041 -9.827 -2.001 1.00 0.00 N ATOM 475 CA PHE A 563 5.309 -9.302 -3.147 1.00 0.00 C ATOM 476 C PHE A 563 6.006 -8.070 -3.720 1.00 0.00 C ATOM 477 O PHE A 563 5.925 -7.798 -4.917 1.00 0.00 O ATOM 478 CB PHE A 563 3.875 -8.951 -2.747 1.00 0.00 C ATOM 479 CG PHE A 563 3.160 -8.104 -3.762 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.812 -8.625 -4.997 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.837 -6.786 -3.479 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.153 -7.849 -5.932 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.178 -6.005 -4.410 1.00 0.00 C ATOM 484 CZ PHE A 563 1.837 -6.536 -5.639 1.00 0.00 C ATOM 0 H PHE A 563 5.483 -9.922 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 563 5.285 -10.075 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.313 -9.872 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.891 -8.425 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.058 -9.650 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.103 -6.365 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 563 1.885 -8.268 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.930 -4.980 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.325 -5.927 -6.369 1.00 0.00 H new ATOM 494 N LEU A 564 6.688 -7.330 -2.854 1.00 0.00 N ATOM 495 CA LEU A 564 7.399 -6.126 -3.270 1.00 0.00 C ATOM 496 C LEU A 564 8.821 -6.459 -3.714 1.00 0.00 C ATOM 497 O LEU A 564 9.689 -5.588 -3.750 1.00 0.00 O ATOM 498 CB LEU A 564 7.434 -5.109 -2.128 1.00 0.00 C ATOM 499 CG LEU A 564 6.107 -4.426 -1.797 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.226 -3.622 -0.512 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.666 -3.533 -2.947 1.00 0.00 C ATOM 0 H LEU A 564 6.764 -7.542 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 564 6.865 -5.694 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.794 -5.612 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.164 -4.339 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 564 5.351 -5.197 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.272 -3.143 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.496 -4.286 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.996 -2.859 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.720 -3.055 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.423 -2.769 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.539 -4.135 -3.847 1.00 0.00 H new ATOM 513 N GLU A 565 9.049 -7.724 -4.051 1.00 0.00 N ATOM 514 CA GLU A 565 10.364 -8.171 -4.493 1.00 0.00 C ATOM 515 C GLU A 565 10.998 -7.149 -5.433 1.00 0.00 C ATOM 516 O GLU A 565 10.449 -6.836 -6.488 1.00 0.00 O ATOM 517 CB GLU A 565 10.259 -9.528 -5.193 1.00 0.00 C ATOM 518 CG GLU A 565 11.605 -10.134 -5.551 1.00 0.00 C ATOM 519 CD GLU A 565 11.477 -11.517 -6.160 1.00 0.00 C ATOM 520 OE1 GLU A 565 10.828 -12.383 -5.538 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.027 -11.732 -7.261 1.00 0.00 O ATOM 0 H GLU A 565 8.340 -8.457 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 565 10.999 -8.273 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.719 -10.220 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.668 -9.414 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.120 -9.478 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.224 -10.191 -4.655 1.00 0.00 H new ATOM 528 N GLY A 566 12.158 -6.633 -5.040 1.00 0.00 N ATOM 529 CA GLY A 566 12.848 -5.652 -5.858 1.00 0.00 C ATOM 530 C GLY A 566 12.966 -4.305 -5.172 1.00 0.00 C ATOM 531 O GLY A 566 13.995 -3.636 -5.275 1.00 0.00 O ATOM 0 H GLY A 566 12.632 -6.876 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.844 -6.022 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.315 -5.531 -6.801 1.00 0.00 H new ATOM 535 N ILE A 567 11.910 -3.906 -4.470 1.00 0.00 N ATOM 536 CA ILE A 567 11.901 -2.630 -3.765 1.00 0.00 C ATOM 537 C ILE A 567 12.506 -2.767 -2.373 1.00 0.00 C ATOM 538 O ILE A 567 11.937 -3.396 -1.480 1.00 0.00 O ATOM 539 CB ILE A 567 10.472 -2.069 -3.638 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.826 -1.943 -5.020 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.493 -0.721 -2.933 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.345 -1.636 -4.968 1.00 0.00 C ATOM 0 H ILE A 567 11.051 -4.447 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 567 12.504 -1.939 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 567 9.878 -2.760 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.333 -1.156 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.977 -2.872 -5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.476 -0.337 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.918 -0.838 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.100 -0.020 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.953 -1.561 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.826 -2.434 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.187 -0.692 -4.447 1.00 0.00 H new ATOM 554 N PRO A 568 13.689 -2.163 -2.180 1.00 0.00 N ATOM 555 CA PRO A 568 14.397 -2.200 -0.897 1.00 0.00 C ATOM 556 C PRO A 568 13.752 -1.296 0.148 1.00 0.00 C ATOM 557 O PRO A 568 13.934 -0.078 0.128 1.00 0.00 O ATOM 558 CB PRO A 568 15.798 -1.695 -1.251 1.00 0.00 C ATOM 559 CG PRO A 568 15.596 -0.819 -2.440 1.00 0.00 C ATOM 560 CD PRO A 568 14.424 -1.396 -3.200 1.00 0.00 C ATOM 0 HA PRO A 568 14.387 -3.196 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.241 -1.142 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.471 -2.522 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.394 0.208 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.490 -0.797 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.804 -0.612 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.754 -2.034 -4.020 1.00 0.00 H new ATOM 568 N VAL A 569 12.998 -1.899 1.061 1.00 0.00 N ATOM 569 CA VAL A 569 12.327 -1.148 2.115 1.00 0.00 C ATOM 570 C VAL A 569 12.281 -1.946 3.414 1.00 0.00 C ATOM 571 O VAL A 569 12.212 -3.175 3.398 1.00 0.00 O ATOM 572 CB VAL A 569 10.892 -0.768 1.707 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.049 -2.016 1.494 1.00 0.00 C ATOM 574 CG2 VAL A 569 10.262 0.137 2.756 1.00 0.00 C ATOM 0 H VAL A 569 12.836 -2.906 1.092 1.00 0.00 H new ATOM 0 HA VAL A 569 12.905 -0.237 2.272 1.00 0.00 H new ATOM 0 HB VAL A 569 10.934 -0.221 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.038 -1.727 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.492 -2.624 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.012 -2.593 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 569 9.248 0.396 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 569 10.232 -0.382 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.854 1.047 2.855 1.00 0.00 H new ATOM 584 N ASP A 570 12.318 -1.239 4.537 1.00 0.00 N ATOM 585 CA ASP A 570 12.278 -1.881 5.847 1.00 0.00 C ATOM 586 C ASP A 570 10.952 -2.606 6.057 1.00 0.00 C ATOM 587 O ASP A 570 10.016 -2.443 5.276 1.00 0.00 O ATOM 588 CB ASP A 570 12.488 -0.845 6.952 1.00 0.00 C ATOM 589 CG ASP A 570 13.154 -1.436 8.180 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.174 -2.140 8.020 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.657 -1.195 9.299 1.00 0.00 O ATOM 0 H ASP A 570 12.376 -0.221 4.568 1.00 0.00 H new ATOM 0 HA ASP A 570 13.083 -2.615 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.099 -0.028 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.525 -0.418 7.234 1.00 0.00 H new ATOM 596 N GLU A 571 10.883 -3.406 7.116 1.00 0.00 N ATOM 597 CA GLU A 571 9.671 -4.157 7.426 1.00 0.00 C ATOM 598 C GLU A 571 8.592 -3.238 7.993 1.00 0.00 C ATOM 599 O GLU A 571 7.462 -3.221 7.510 1.00 0.00 O ATOM 600 CB GLU A 571 9.981 -5.276 8.423 1.00 0.00 C ATOM 601 CG GLU A 571 11.064 -6.231 7.949 1.00 0.00 C ATOM 602 CD GLU A 571 10.968 -7.594 8.608 1.00 0.00 C ATOM 603 OE1 GLU A 571 10.836 -7.645 9.849 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.026 -8.608 7.882 1.00 0.00 O ATOM 0 H GLU A 571 11.650 -3.551 7.773 1.00 0.00 H new ATOM 0 HA GLU A 571 9.298 -4.597 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.289 -4.832 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.069 -5.841 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.992 -6.348 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 571 12.042 -5.798 8.158 1.00 0.00 H new ATOM 611 N ASN A 572 8.953 -2.479 9.023 1.00 0.00 N ATOM 612 CA ASN A 572 8.015 -1.559 9.658 1.00 0.00 C ATOM 613 C ASN A 572 7.253 -0.751 8.612 1.00 0.00 C ATOM 614 O ASN A 572 6.052 -0.518 8.746 1.00 0.00 O ATOM 615 CB ASN A 572 8.758 -0.615 10.606 1.00 0.00 C ATOM 616 CG ASN A 572 9.482 -1.358 11.712 1.00 0.00 C ATOM 617 OD1 ASN A 572 8.997 -2.373 12.214 1.00 0.00 O ATOM 618 ND2 ASN A 572 10.650 -0.856 12.097 1.00 0.00 N ATOM 0 H ASN A 572 9.886 -2.482 9.435 1.00 0.00 H new ATOM 0 HA ASN A 572 7.298 -2.148 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.477 -0.025 10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.049 0.085 11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 572 11.183 -1.314 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 572 11.014 -0.013 11.653 1.00 0.00 H new ATOM 625 N ALA A 573 7.960 -0.327 7.570 1.00 0.00 N ATOM 626 CA ALA A 573 7.350 0.453 6.500 1.00 0.00 C ATOM 627 C ALA A 573 5.979 -0.101 6.130 1.00 0.00 C ATOM 628 O ALA A 573 5.065 0.651 5.789 1.00 0.00 O ATOM 629 CB ALA A 573 8.259 0.475 5.279 1.00 0.00 C ATOM 0 H ALA A 573 8.955 -0.510 7.444 1.00 0.00 H new ATOM 0 HA ALA A 573 7.216 1.473 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.791 1.061 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.216 0.924 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.422 -0.544 4.928 1.00 0.00 H new ATOM 635 N VAL A 574 5.841 -1.422 6.197 1.00 0.00 N ATOM 636 CA VAL A 574 4.580 -2.077 5.870 1.00 0.00 C ATOM 637 C VAL A 574 3.661 -2.137 7.085 1.00 0.00 C ATOM 638 O VAL A 574 4.033 -2.661 8.135 1.00 0.00 O ATOM 639 CB VAL A 574 4.811 -3.506 5.344 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.484 -4.176 5.018 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.720 -3.484 4.123 1.00 0.00 C ATOM 0 H VAL A 574 6.587 -2.059 6.475 1.00 0.00 H new ATOM 0 HA VAL A 574 4.107 -1.482 5.089 1.00 0.00 H new ATOM 0 HB VAL A 574 5.302 -4.087 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.667 -5.185 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.871 -4.225 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.963 -3.598 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.873 -4.502 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.258 -2.888 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.681 -3.047 4.393 1.00 0.00 H new ATOM 651 N HIS A 575 2.455 -1.597 6.934 1.00 0.00 N ATOM 652 CA HIS A 575 1.479 -1.590 8.018 1.00 0.00 C ATOM 653 C HIS A 575 0.238 -2.391 7.638 1.00 0.00 C ATOM 654 O HIS A 575 -0.494 -2.021 6.721 1.00 0.00 O ATOM 655 CB HIS A 575 1.087 -0.155 8.370 1.00 0.00 C ATOM 656 CG HIS A 575 2.133 0.579 9.151 1.00 0.00 C ATOM 657 ND1 HIS A 575 3.468 0.688 8.957 1.00 0.00 N flip ATOM 658 CD2 HIS A 575 1.851 1.311 10.285 1.00 0.00 C flip ATOM 659 CE1 HIS A 575 3.963 1.478 9.967 1.00 0.00 C flip ATOM 660 NE2 HIS A 575 2.967 1.841 10.753 1.00 0.00 N flip ATOM 0 H HIS A 575 2.131 -1.159 6.072 1.00 0.00 H new ATOM 0 HA HIS A 575 1.938 -2.057 8.889 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.882 0.392 7.450 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.161 -0.171 8.945 1.00 0.00 H new ATOM 0 HD1 HIS A 575 4.006 0.263 8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 575 0.871 1.432 10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 575 4.998 1.756 10.096 1.00 0.00 H new ATOM 668 N VAL A 576 0.008 -3.490 8.348 1.00 0.00 N ATOM 669 CA VAL A 576 -1.144 -4.343 8.086 1.00 0.00 C ATOM 670 C VAL A 576 -2.345 -3.918 8.922 1.00 0.00 C ATOM 671 O VAL A 576 -2.233 -3.715 10.133 1.00 0.00 O ATOM 672 CB VAL A 576 -0.827 -5.822 8.379 1.00 0.00 C ATOM 673 CG1 VAL A 576 -2.053 -6.689 8.142 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.343 -6.295 7.528 1.00 0.00 C ATOM 0 H VAL A 576 0.605 -3.811 9.110 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.384 -4.233 7.028 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.545 -5.913 9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.809 -7.730 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.861 -6.364 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.370 -6.595 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.553 -7.342 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.091 -6.189 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.223 -5.693 7.753 1.00 0.00 H new ATOM 684 N LEU A 577 -3.495 -3.785 8.272 1.00 0.00 N ATOM 685 CA LEU A 577 -4.719 -3.383 8.955 1.00 0.00 C ATOM 686 C LEU A 577 -5.266 -4.523 9.808 1.00 0.00 C ATOM 687 O LEU A 577 -5.022 -5.697 9.526 1.00 0.00 O ATOM 688 CB LEU A 577 -5.773 -2.940 7.939 1.00 0.00 C ATOM 689 CG LEU A 577 -5.496 -1.623 7.215 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.470 -1.431 6.063 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.577 -0.453 8.186 1.00 0.00 C ATOM 0 H LEU A 577 -3.606 -3.950 7.272 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.481 -2.545 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.881 -3.726 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.730 -2.854 8.453 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.486 -1.661 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.257 -0.488 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.362 -2.253 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.490 -1.415 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.377 0.477 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.574 -0.413 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.838 -0.584 8.976 1.00 0.00 H new ATOM 703 N VAL A 578 -6.011 -4.172 10.851 1.00 0.00 N ATOM 704 CA VAL A 578 -6.596 -5.166 11.743 1.00 0.00 C ATOM 705 C VAL A 578 -7.943 -4.697 12.280 1.00 0.00 C ATOM 706 O VAL A 578 -8.220 -3.499 12.331 1.00 0.00 O ATOM 707 CB VAL A 578 -5.662 -5.476 12.929 1.00 0.00 C ATOM 708 CG1 VAL A 578 -4.376 -6.122 12.440 1.00 0.00 C ATOM 709 CG2 VAL A 578 -5.366 -4.209 13.717 1.00 0.00 C ATOM 0 H VAL A 578 -6.224 -3.206 11.099 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.738 -6.073 11.156 1.00 0.00 H new ATOM 0 HB VAL A 578 -6.165 -6.180 13.592 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -3.729 -6.334 13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -4.610 -7.052 11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -3.866 -5.444 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -4.705 -4.445 14.551 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -4.883 -3.480 13.066 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -6.298 -3.792 14.099 1.00 0.00 H new ATOM 719 N ASP A 579 -8.778 -5.650 12.681 1.00 0.00 N ATOM 720 CA ASP A 579 -10.097 -5.335 13.218 1.00 0.00 C ATOM 721 C ASP A 579 -10.210 -5.772 14.675 1.00 0.00 C ATOM 722 O ASP A 579 -9.270 -6.329 15.240 1.00 0.00 O ATOM 723 CB ASP A 579 -11.186 -6.011 12.383 1.00 0.00 C ATOM 724 CG ASP A 579 -12.542 -5.360 12.563 1.00 0.00 C ATOM 725 OD1 ASP A 579 -12.780 -4.303 11.943 1.00 0.00 O ATOM 726 OD2 ASP A 579 -13.367 -5.908 13.325 1.00 0.00 O ATOM 0 H ASP A 579 -8.565 -6.647 12.644 1.00 0.00 H new ATOM 0 HA ASP A 579 -10.232 -4.254 13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -10.906 -5.976 11.330 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -11.252 -7.063 12.660 1.00 0.00 H new ATOM 731 N ASN A 580 -11.368 -5.515 15.276 1.00 0.00 N ATOM 732 CA ASN A 580 -11.604 -5.882 16.667 1.00 0.00 C ATOM 733 C ASN A 580 -11.157 -7.315 16.936 1.00 0.00 C ATOM 734 O ASN A 580 -10.492 -7.593 17.933 1.00 0.00 O ATOM 735 CB ASN A 580 -13.086 -5.724 17.014 1.00 0.00 C ATOM 736 CG ASN A 580 -13.329 -5.688 18.511 1.00 0.00 C ATOM 737 OD1 ASN A 580 -12.393 -5.782 19.305 1.00 0.00 O ATOM 738 ND2 ASN A 580 -14.590 -5.551 18.901 1.00 0.00 N ATOM 0 H ASN A 580 -12.156 -5.054 14.821 1.00 0.00 H new ATOM 0 HA ASN A 580 -11.017 -5.214 17.297 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -13.466 -4.806 16.565 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -13.649 -6.549 16.577 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -14.816 -5.520 19.895 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -15.333 -5.477 18.207 1.00 0.00 H new ATOM 745 N ASN A 581 -11.525 -8.222 16.038 1.00 0.00 N ATOM 746 CA ASN A 581 -11.163 -9.629 16.177 1.00 0.00 C ATOM 747 C ASN A 581 -9.845 -9.923 15.467 1.00 0.00 C ATOM 748 O ASN A 581 -9.615 -11.038 15.001 1.00 0.00 O ATOM 749 CB ASN A 581 -12.270 -10.521 15.612 1.00 0.00 C ATOM 750 CG ASN A 581 -13.413 -10.715 16.590 1.00 0.00 C ATOM 751 OD1 ASN A 581 -13.705 -11.836 17.005 1.00 0.00 O ATOM 752 ND2 ASN A 581 -14.065 -9.620 16.962 1.00 0.00 N ATOM 0 H ASN A 581 -12.074 -8.009 15.205 1.00 0.00 H new ATOM 0 HA ASN A 581 -11.040 -9.844 17.238 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -12.654 -10.080 14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -11.851 -11.493 15.350 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -14.843 -9.688 17.618 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -13.788 -8.711 16.592 1.00 0.00 H new ATOM 759 N GLY A 582 -8.981 -8.915 15.392 1.00 0.00 N ATOM 760 CA GLY A 582 -7.697 -9.085 14.739 1.00 0.00 C ATOM 761 C GLY A 582 -7.787 -9.954 13.499 1.00 0.00 C ATOM 762 O GLY A 582 -6.960 -10.841 13.294 1.00 0.00 O ATOM 0 H GLY A 582 -9.148 -7.983 15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -7.300 -8.107 14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -6.992 -9.531 15.441 1.00 0.00 H new ATOM 766 N GLN A 583 -8.796 -9.699 12.673 1.00 0.00 N ATOM 767 CA GLN A 583 -8.992 -10.466 11.448 1.00 0.00 C ATOM 768 C GLN A 583 -8.239 -9.833 10.283 1.00 0.00 C ATOM 769 O GLN A 583 -7.506 -10.512 9.563 1.00 0.00 O ATOM 770 CB GLN A 583 -10.482 -10.562 11.116 1.00 0.00 C ATOM 771 CG GLN A 583 -11.282 -11.362 12.131 1.00 0.00 C ATOM 772 CD GLN A 583 -11.275 -12.849 11.837 1.00 0.00 C ATOM 773 OE1 GLN A 583 -10.484 -13.331 11.026 1.00 0.00 O ATOM 774 NE2 GLN A 583 -12.160 -13.587 12.499 1.00 0.00 N ATOM 0 H GLN A 583 -9.490 -8.968 12.829 1.00 0.00 H new ATOM 0 HA GLN A 583 -8.597 -11.469 11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -10.897 -9.556 11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -10.598 -11.019 10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -10.874 -11.190 13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -12.311 -11.002 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -12.797 -13.146 13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -12.202 -14.594 12.344 1.00 0.00 H new ATOM 783 N GLY A 584 -8.423 -8.530 10.102 1.00 0.00 N ATOM 784 CA GLY A 584 -7.754 -7.828 9.023 1.00 0.00 C ATOM 785 C GLY A 584 -8.619 -7.712 7.783 1.00 0.00 C ATOM 786 O GLY A 584 -9.073 -8.719 7.237 1.00 0.00 O ATOM 0 H GLY A 584 -9.024 -7.947 10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -7.474 -6.831 9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -6.831 -8.350 8.771 1.00 0.00 H new ATOM 790 N LEU A 585 -8.851 -6.482 7.338 1.00 0.00 N ATOM 791 CA LEU A 585 -9.669 -6.237 6.155 1.00 0.00 C ATOM 792 C LEU A 585 -8.853 -6.421 4.881 1.00 0.00 C ATOM 793 O LEU A 585 -8.962 -5.635 3.942 1.00 0.00 O ATOM 794 CB LEU A 585 -10.255 -4.825 6.200 1.00 0.00 C ATOM 795 CG LEU A 585 -10.933 -4.420 7.509 1.00 0.00 C ATOM 796 CD1 LEU A 585 -11.102 -2.910 7.578 1.00 0.00 C ATOM 797 CD2 LEU A 585 -12.279 -5.116 7.650 1.00 0.00 C ATOM 0 H LEU A 585 -8.484 -5.638 7.779 1.00 0.00 H new ATOM 0 HA LEU A 585 -10.483 -6.962 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -9.454 -4.115 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -10.982 -4.729 5.393 1.00 0.00 H new ATOM 0 HG LEU A 585 -10.296 -4.732 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -11.586 -2.641 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -10.124 -2.432 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -11.717 -2.574 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -12.747 -4.816 8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -12.923 -4.835 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -12.132 -6.196 7.647 1.00 0.00 H new ATOM 809 N GLY A 586 -8.034 -7.469 4.855 1.00 0.00 N ATOM 810 CA GLY A 586 -7.212 -7.739 3.689 1.00 0.00 C ATOM 811 C GLY A 586 -6.687 -6.473 3.044 1.00 0.00 C ATOM 812 O GLY A 586 -6.900 -6.241 1.854 1.00 0.00 O ATOM 0 H GLY A 586 -7.925 -8.135 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.372 -8.371 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.796 -8.300 2.959 1.00 0.00 H new ATOM 816 N GLN A 587 -6.000 -5.651 3.831 1.00 0.00 N ATOM 817 CA GLN A 587 -5.445 -4.399 3.329 1.00 0.00 C ATOM 818 C GLN A 587 -4.210 -3.992 4.126 1.00 0.00 C ATOM 819 O GLN A 587 -4.112 -4.270 5.321 1.00 0.00 O ATOM 820 CB GLN A 587 -6.496 -3.289 3.391 1.00 0.00 C ATOM 821 CG GLN A 587 -7.538 -3.375 2.289 1.00 0.00 C ATOM 822 CD GLN A 587 -8.479 -2.185 2.280 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.333 -1.259 3.077 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.450 -2.205 1.374 1.00 0.00 N ATOM 0 H GLN A 587 -5.814 -5.829 4.818 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.150 -4.552 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.998 -3.329 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.995 -2.323 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.036 -3.443 1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.117 -4.290 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.533 -2.994 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.113 -1.431 1.319 1.00 0.00 H new ATOM 833 N ALA A 588 -3.270 -3.334 3.457 1.00 0.00 N ATOM 834 CA ALA A 588 -2.043 -2.888 4.103 1.00 0.00 C ATOM 835 C ALA A 588 -1.485 -1.641 3.423 1.00 0.00 C ATOM 836 O ALA A 588 -1.661 -1.448 2.219 1.00 0.00 O ATOM 837 CB ALA A 588 -1.008 -4.003 4.096 1.00 0.00 C ATOM 0 H ALA A 588 -3.335 -3.098 2.467 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.278 -2.631 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.096 -3.656 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.400 -4.866 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.786 -4.287 3.067 1.00 0.00 H new ATOM 843 N LEU A 589 -0.814 -0.800 4.199 1.00 0.00 N ATOM 844 CA LEU A 589 -0.231 0.429 3.672 1.00 0.00 C ATOM 845 C LEU A 589 1.294 0.363 3.695 1.00 0.00 C ATOM 846 O LEU A 589 1.895 0.038 4.719 1.00 0.00 O ATOM 847 CB LEU A 589 -0.712 1.635 4.481 1.00 0.00 C ATOM 848 CG LEU A 589 -2.204 1.958 4.381 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.644 2.814 5.557 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.510 2.656 3.064 1.00 0.00 C ATOM 0 H LEU A 589 -0.659 -0.946 5.197 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.557 0.540 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.467 1.465 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 589 -0.149 2.511 4.160 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.763 1.023 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.708 3.034 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.460 2.276 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -2.080 3.747 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.576 2.879 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.942 3.584 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.232 2.006 2.234 1.00 0.00 H new ATOM 862 N VAL A 590 1.912 0.674 2.560 1.00 0.00 N ATOM 863 CA VAL A 590 3.366 0.653 2.452 1.00 0.00 C ATOM 864 C VAL A 590 3.934 2.067 2.409 1.00 0.00 C ATOM 865 O VAL A 590 3.522 2.887 1.588 1.00 0.00 O ATOM 866 CB VAL A 590 3.823 -0.111 1.195 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.328 -0.337 1.226 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.080 -1.433 1.076 1.00 0.00 C ATOM 0 H VAL A 590 1.429 0.943 1.703 1.00 0.00 H new ATOM 0 HA VAL A 590 3.743 0.140 3.337 1.00 0.00 H new ATOM 0 HB VAL A 590 3.588 0.492 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.633 -0.878 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.840 0.625 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.590 -0.920 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.415 -1.960 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.283 -2.045 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.009 -1.243 1.005 1.00 0.00 H new ATOM 878 N GLN A 591 4.882 2.345 3.297 1.00 0.00 N ATOM 879 CA GLN A 591 5.507 3.661 3.360 1.00 0.00 C ATOM 880 C GLN A 591 6.955 3.599 2.885 1.00 0.00 C ATOM 881 O GLN A 591 7.769 2.858 3.436 1.00 0.00 O ATOM 882 CB GLN A 591 5.449 4.209 4.788 1.00 0.00 C ATOM 883 CG GLN A 591 6.106 5.571 4.943 1.00 0.00 C ATOM 884 CD GLN A 591 6.584 5.830 6.358 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.333 5.036 7.266 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.276 6.947 6.555 1.00 0.00 N ATOM 0 H GLN A 591 5.234 1.677 3.983 1.00 0.00 H new ATOM 0 HA GLN A 591 4.955 4.330 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.407 4.280 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 591 5.935 3.502 5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.952 5.642 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.397 6.347 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.461 7.577 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.622 7.175 7.487 1.00 0.00 H new ATOM 895 N PHE A 592 7.270 4.383 1.858 1.00 0.00 N ATOM 896 CA PHE A 592 8.620 4.416 1.307 1.00 0.00 C ATOM 897 C PHE A 592 9.337 5.703 1.704 1.00 0.00 C ATOM 898 O PHE A 592 8.788 6.538 2.424 1.00 0.00 O ATOM 899 CB PHE A 592 8.574 4.294 -0.217 1.00 0.00 C ATOM 900 CG PHE A 592 7.911 3.034 -0.697 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.519 1.803 -0.514 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.680 3.083 -1.332 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.911 0.642 -0.956 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.068 1.925 -1.775 1.00 0.00 C ATOM 905 CZ PHE A 592 6.685 0.704 -1.587 1.00 0.00 C ATOM 0 H PHE A 592 6.609 5.004 1.391 1.00 0.00 H new ATOM 0 HA PHE A 592 9.174 3.571 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.043 5.153 -0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.591 4.332 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.478 1.749 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.194 4.036 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.395 -0.312 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.108 1.975 -2.268 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.209 -0.201 -1.933 1.00 0.00 H new ATOM 915 N LYS A 593 10.568 5.858 1.230 1.00 0.00 N ATOM 916 CA LYS A 593 11.363 7.042 1.532 1.00 0.00 C ATOM 917 C LYS A 593 11.158 8.121 0.474 1.00 0.00 C ATOM 918 O LYS A 593 10.657 9.205 0.768 1.00 0.00 O ATOM 919 CB LYS A 593 12.847 6.676 1.622 1.00 0.00 C ATOM 920 CG LYS A 593 13.211 5.923 2.890 1.00 0.00 C ATOM 921 CD LYS A 593 14.643 5.419 2.846 1.00 0.00 C ATOM 922 CE LYS A 593 15.626 6.488 3.301 1.00 0.00 C ATOM 923 NZ LYS A 593 15.802 6.486 4.779 1.00 0.00 N ATOM 0 H LYS A 593 11.038 5.177 0.634 1.00 0.00 H new ATOM 0 HA LYS A 593 11.032 7.434 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.116 6.068 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.442 7.588 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 593 13.080 6.576 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.532 5.081 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.740 4.540 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 593 14.888 5.106 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 593 16.590 6.323 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.272 7.467 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 16.479 7.228 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 14.887 6.669 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 16.164 5.560 5.084 1.00 0.00 H new ATOM 937 N ASN A 594 11.546 7.814 -0.760 1.00 0.00 N ATOM 938 CA ASN A 594 11.403 8.757 -1.864 1.00 0.00 C ATOM 939 C ASN A 594 10.600 8.142 -3.005 1.00 0.00 C ATOM 940 O ASN A 594 10.493 6.921 -3.113 1.00 0.00 O ATOM 941 CB ASN A 594 12.780 9.193 -2.370 1.00 0.00 C ATOM 942 CG ASN A 594 13.482 10.127 -1.404 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.901 11.107 -0.937 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.740 9.828 -1.100 1.00 0.00 N ATOM 0 H ASN A 594 11.962 6.920 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 594 10.865 9.631 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.400 8.311 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.669 9.688 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.264 10.421 -0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.182 9.006 -1.511 1.00 0.00 H new ATOM 951 N GLU A 595 10.039 8.997 -3.854 1.00 0.00 N ATOM 952 CA GLU A 595 9.246 8.536 -4.987 1.00 0.00 C ATOM 953 C GLU A 595 9.998 7.473 -5.783 1.00 0.00 C ATOM 954 O GLU A 595 9.411 6.490 -6.237 1.00 0.00 O ATOM 955 CB GLU A 595 8.887 9.712 -5.899 1.00 0.00 C ATOM 956 CG GLU A 595 7.954 10.722 -5.252 1.00 0.00 C ATOM 957 CD GLU A 595 7.208 11.562 -6.269 1.00 0.00 C ATOM 958 OE1 GLU A 595 6.195 11.074 -6.814 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.636 12.708 -6.521 1.00 0.00 O ATOM 0 H GLU A 595 10.119 10.011 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 595 8.329 8.093 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.803 10.219 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.420 9.328 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.235 10.196 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.530 11.377 -4.598 1.00 0.00 H new ATOM 966 N ASP A 596 11.300 7.678 -5.948 1.00 0.00 N ATOM 967 CA ASP A 596 12.134 6.738 -6.687 1.00 0.00 C ATOM 968 C ASP A 596 11.782 5.298 -6.325 1.00 0.00 C ATOM 969 O ASP A 596 11.944 4.386 -7.137 1.00 0.00 O ATOM 970 CB ASP A 596 13.613 7.002 -6.402 1.00 0.00 C ATOM 971 CG ASP A 596 14.509 6.568 -7.546 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.100 6.729 -8.714 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.621 6.068 -7.272 1.00 0.00 O ATOM 0 H ASP A 596 11.801 8.487 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 596 11.946 6.882 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.759 8.065 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.905 6.474 -5.495 1.00 0.00 H new ATOM 978 N ASP A 597 11.302 5.102 -5.102 1.00 0.00 N ATOM 979 CA ASP A 597 10.927 3.773 -4.632 1.00 0.00 C ATOM 980 C ASP A 597 9.428 3.543 -4.791 1.00 0.00 C ATOM 981 O ASP A 597 8.980 2.412 -4.976 1.00 0.00 O ATOM 982 CB ASP A 597 11.331 3.593 -3.169 1.00 0.00 C ATOM 983 CG ASP A 597 11.655 2.152 -2.830 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.521 1.562 -3.510 1.00 0.00 O ATOM 985 OD2 ASP A 597 11.044 1.614 -1.883 1.00 0.00 O ATOM 0 H ASP A 597 11.163 5.846 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 597 11.455 3.038 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 597 12.199 4.217 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.522 3.941 -2.527 1.00 0.00 H new ATOM 990 N ALA A 598 8.657 4.623 -4.717 1.00 0.00 N ATOM 991 CA ALA A 598 7.209 4.539 -4.853 1.00 0.00 C ATOM 992 C ALA A 598 6.809 4.255 -6.298 1.00 0.00 C ATOM 993 O ALA A 598 6.063 3.313 -6.570 1.00 0.00 O ATOM 994 CB ALA A 598 6.558 5.826 -4.367 1.00 0.00 C ATOM 0 H ALA A 598 9.012 5.567 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 598 6.858 3.711 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.476 5.749 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.808 5.987 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.923 6.665 -4.960 1.00 0.00 H new ATOM 1000 N ARG A 599 7.308 5.074 -7.217 1.00 0.00 N ATOM 1001 CA ARG A 599 7.000 4.911 -8.633 1.00 0.00 C ATOM 1002 C ARG A 599 7.052 3.439 -9.034 1.00 0.00 C ATOM 1003 O ARG A 599 6.358 3.011 -9.955 1.00 0.00 O ATOM 1004 CB ARG A 599 7.980 5.718 -9.486 1.00 0.00 C ATOM 1005 CG ARG A 599 7.502 7.129 -9.791 1.00 0.00 C ATOM 1006 CD ARG A 599 8.670 8.091 -9.945 1.00 0.00 C ATOM 1007 NE ARG A 599 9.114 8.196 -11.332 1.00 0.00 N ATOM 1008 CZ ARG A 599 9.994 7.370 -11.887 1.00 0.00 C ATOM 1009 NH1 ARG A 599 10.520 6.382 -11.177 1.00 0.00 N ATOM 1010 NH2 ARG A 599 10.347 7.530 -13.156 1.00 0.00 N ATOM 0 H ARG A 599 7.927 5.857 -7.007 1.00 0.00 H new ATOM 0 HA ARG A 599 5.989 5.282 -8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.939 5.772 -8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.152 5.191 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.910 7.124 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 599 6.848 7.474 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.378 9.077 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 599 9.500 7.756 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 599 8.727 8.945 -11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 599 10.249 6.254 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 599 11.195 5.749 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 599 9.943 8.288 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 599 11.023 6.895 -13.581 1.00 0.00 H new ATOM 1024 N LYS A 600 7.882 2.671 -8.337 1.00 0.00 N ATOM 1025 CA LYS A 600 8.026 1.247 -8.619 1.00 0.00 C ATOM 1026 C LYS A 600 6.747 0.492 -8.273 1.00 0.00 C ATOM 1027 O LYS A 600 6.315 -0.388 -9.017 1.00 0.00 O ATOM 1028 CB LYS A 600 9.203 0.667 -7.832 1.00 0.00 C ATOM 1029 CG LYS A 600 10.558 0.987 -8.438 1.00 0.00 C ATOM 1030 CD LYS A 600 11.680 0.793 -7.432 1.00 0.00 C ATOM 1031 CE LYS A 600 13.027 0.637 -8.122 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.156 0.716 -7.156 1.00 0.00 N ATOM 0 H LYS A 600 8.466 3.010 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 600 8.218 1.131 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.171 1.050 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.089 -0.415 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.730 0.348 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.563 2.017 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.714 1.646 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.477 -0.089 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.060 -0.320 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.140 1.414 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 15.056 0.605 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.140 1.639 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.062 -0.041 -6.450 1.00 0.00 H new ATOM 1046 N SER A 601 6.147 0.843 -7.141 1.00 0.00 N ATOM 1047 CA SER A 601 4.917 0.197 -6.696 1.00 0.00 C ATOM 1048 C SER A 601 3.841 0.272 -7.774 1.00 0.00 C ATOM 1049 O SER A 601 3.082 -0.674 -7.975 1.00 0.00 O ATOM 1050 CB SER A 601 4.411 0.848 -5.407 1.00 0.00 C ATOM 1051 OG SER A 601 3.704 2.045 -5.684 1.00 0.00 O ATOM 0 H SER A 601 6.492 1.571 -6.515 1.00 0.00 H new ATOM 0 HA SER A 601 5.138 -0.853 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 601 3.761 0.153 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.253 1.063 -4.750 1.00 0.00 H new ATOM 0 HG SER A 601 4.325 2.718 -6.032 1.00 0.00 H new ATOM 1057 N GLU A 602 3.784 1.407 -8.465 1.00 0.00 N ATOM 1058 CA GLU A 602 2.801 1.608 -9.523 1.00 0.00 C ATOM 1059 C GLU A 602 2.982 0.580 -10.636 1.00 0.00 C ATOM 1060 O GLU A 602 2.098 0.393 -11.473 1.00 0.00 O ATOM 1061 CB GLU A 602 2.916 3.022 -10.096 1.00 0.00 C ATOM 1062 CG GLU A 602 2.738 4.116 -9.056 1.00 0.00 C ATOM 1063 CD GLU A 602 2.865 5.507 -9.646 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.600 5.666 -10.856 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.231 6.437 -8.897 1.00 0.00 O ATOM 0 H GLU A 602 4.406 2.200 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 602 1.809 1.479 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 602 3.892 3.136 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.167 3.150 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 602 1.759 4.012 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 602 3.482 3.989 -8.270 1.00 0.00 H new ATOM 1072 N ARG A 603 4.134 -0.083 -10.639 1.00 0.00 N ATOM 1073 CA ARG A 603 4.432 -1.090 -11.651 1.00 0.00 C ATOM 1074 C ARG A 603 3.873 -2.451 -11.244 1.00 0.00 C ATOM 1075 O ARG A 603 3.630 -3.312 -12.091 1.00 0.00 O ATOM 1076 CB ARG A 603 5.943 -1.193 -11.868 1.00 0.00 C ATOM 1077 CG ARG A 603 6.334 -2.145 -12.986 1.00 0.00 C ATOM 1078 CD ARG A 603 7.838 -2.153 -13.212 1.00 0.00 C ATOM 1079 NE ARG A 603 8.228 -3.075 -14.274 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.489 -3.382 -14.555 1.00 0.00 C ATOM 1081 NH1 ARG A 603 10.478 -2.842 -13.856 1.00 0.00 N ATOM 1082 NH2 ARG A 603 9.764 -4.231 -15.537 1.00 0.00 N ATOM 0 H ARG A 603 4.875 0.059 -9.953 1.00 0.00 H new ATOM 0 HA ARG A 603 3.957 -0.784 -12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.338 -0.202 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.413 -1.522 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.997 -3.152 -12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.828 -1.854 -13.907 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.172 -1.147 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.342 -2.432 -12.287 1.00 0.00 H new ATOM 0 HE ARG A 603 7.491 -3.507 -14.831 1.00 0.00 H new ATOM 0 HH11 ARG A 603 10.271 -2.189 -13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 603 11.446 -3.080 -14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 603 9.006 -4.649 -16.077 1.00 0.00 H new ATOM 0 HH22 ARG A 603 10.733 -4.466 -15.752 1.00 0.00 H new ATOM 1096 N LEU A 604 3.671 -2.637 -9.944 1.00 0.00 N ATOM 1097 CA LEU A 604 3.141 -3.893 -9.425 1.00 0.00 C ATOM 1098 C LEU A 604 1.619 -3.850 -9.347 1.00 0.00 C ATOM 1099 O LEU A 604 0.994 -4.703 -8.716 1.00 0.00 O ATOM 1100 CB LEU A 604 3.726 -4.183 -8.042 1.00 0.00 C ATOM 1101 CG LEU A 604 5.178 -4.661 -8.013 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.686 -4.741 -6.582 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.308 -6.012 -8.703 1.00 0.00 C ATOM 0 H LEU A 604 3.866 -1.935 -9.231 1.00 0.00 H new ATOM 0 HA LEU A 604 3.429 -4.691 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.651 -3.277 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.106 -4.938 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 604 5.789 -3.938 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.721 -5.083 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.630 -3.755 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.072 -5.442 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.348 -6.337 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.684 -6.744 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.985 -5.923 -9.740 1.00 0.00 H new ATOM 1115 N HIS A 605 1.026 -2.853 -9.996 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.425 -2.701 -10.003 1.00 0.00 C ATOM 1117 C HIS A 605 -1.085 -3.830 -10.789 1.00 0.00 C ATOM 1118 O HIS A 605 -0.526 -4.330 -11.765 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.815 -1.349 -10.603 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.294 -1.125 -10.663 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.162 -1.571 -9.690 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.056 -0.495 -11.588 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.396 -1.227 -10.014 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.359 -0.572 -11.161 1.00 0.00 N ATOM 0 H HIS A 605 1.527 -2.139 -10.524 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.776 -2.746 -8.972 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.359 -0.554 -10.013 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.403 -1.275 -11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.705 -0.021 -12.492 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.284 -1.444 -9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.167 -0.186 -11.650 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.279 -4.225 -10.357 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.015 -5.295 -11.018 1.00 0.00 C ATOM 1134 C ARG A 606 -2.188 -6.578 -11.060 1.00 0.00 C ATOM 1135 O ARG A 606 -2.206 -7.308 -12.050 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.398 -4.877 -12.439 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.408 -3.741 -12.488 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.814 -3.419 -13.917 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.956 -4.219 -14.354 1.00 0.00 N ATOM 1140 CZ ARG A 606 -6.513 -4.108 -15.555 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -6.037 -3.236 -16.433 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -7.549 -4.870 -15.879 1.00 0.00 N ATOM 0 H ARG A 606 -2.757 -3.819 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.922 -5.486 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.498 -4.575 -12.975 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.808 -5.739 -12.964 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.291 -4.013 -11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.982 -2.853 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.062 -2.360 -13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -3.970 -3.598 -14.583 1.00 0.00 H new ATOM 0 HE ARG A 606 -6.347 -4.899 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.241 -2.648 -16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -6.467 -3.153 -17.354 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -7.918 -5.542 -15.206 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -7.976 -4.784 -16.801 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.465 -6.845 -9.978 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.633 -8.039 -9.889 1.00 0.00 C ATOM 1158 C LYS A 607 -1.447 -9.236 -9.409 1.00 0.00 C ATOM 1159 O LYS A 607 -2.654 -9.130 -9.187 1.00 0.00 O ATOM 1160 CB LYS A 607 0.544 -7.795 -8.941 1.00 0.00 C ATOM 1161 CG LYS A 607 1.719 -7.091 -9.598 1.00 0.00 C ATOM 1162 CD LYS A 607 2.680 -8.084 -10.231 1.00 0.00 C ATOM 1163 CE LYS A 607 2.120 -8.653 -11.526 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.175 -9.309 -12.346 1.00 0.00 N ATOM 0 H LYS A 607 -1.438 -6.250 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.250 -8.260 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.201 -7.199 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.882 -8.751 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.352 -6.402 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.248 -6.494 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.633 -7.594 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.879 -8.896 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 607 1.337 -9.376 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 607 1.656 -7.853 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 2.753 -9.684 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.910 -8.614 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.600 -10.089 -11.805 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.780 -10.373 -9.247 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.441 -11.589 -8.791 1.00 0.00 C ATOM 1180 C LYS A 608 -0.771 -12.133 -7.532 1.00 0.00 C ATOM 1181 O LYS A 608 0.251 -12.816 -7.606 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.417 -12.652 -9.892 1.00 0.00 C ATOM 1183 CG LYS A 608 -1.925 -12.150 -11.233 1.00 0.00 C ATOM 1184 CD LYS A 608 -1.838 -13.227 -12.301 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.809 -14.365 -12.025 1.00 0.00 C ATOM 1186 NZ LYS A 608 -2.788 -15.386 -13.108 1.00 0.00 N ATOM 0 H LYS A 608 0.219 -10.478 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.476 -11.342 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.396 -13.015 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.023 -13.502 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -2.959 -11.820 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.342 -11.282 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.054 -12.792 -13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -0.821 -13.617 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -2.555 -14.837 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.818 -13.965 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -3.463 -16.145 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -3.055 -14.941 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -1.832 -15.786 -13.189 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.353 -11.825 -6.378 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.814 -12.283 -5.103 1.00 0.00 C ATOM 1202 C LEU A 609 -1.590 -13.490 -4.585 1.00 0.00 C ATOM 1203 O LEU A 609 -2.759 -13.377 -4.219 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.857 -11.154 -4.072 1.00 0.00 C ATOM 1205 CG LEU A 609 0.063 -11.314 -2.861 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.024 -10.092 -1.960 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.290 -12.577 -2.088 1.00 0.00 C ATOM 0 H LEU A 609 -2.198 -11.260 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 609 0.222 -12.581 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.604 -10.221 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.882 -11.055 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 609 1.089 -11.404 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.637 -10.224 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.278 -9.206 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.049 -9.969 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.374 -12.676 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.322 -12.516 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.175 -13.445 -2.737 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.931 -14.644 -4.556 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.559 -15.870 -4.080 1.00 0.00 C ATOM 1221 C ASN A 610 -2.764 -16.234 -4.942 1.00 0.00 C ATOM 1222 O ASN A 610 -3.746 -16.792 -4.453 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.990 -15.716 -2.620 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.848 -15.956 -1.652 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.321 -15.934 -2.036 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.184 -16.185 -0.388 1.00 0.00 N ATOM 0 H ASN A 610 0.037 -14.755 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.827 -16.674 -4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.389 -14.713 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.797 -16.417 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.459 -16.352 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -2.167 -16.194 -0.115 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.682 -15.914 -6.231 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.772 -16.214 -7.141 1.00 0.00 C ATOM 1235 C GLY A 611 -4.938 -15.256 -6.986 1.00 0.00 C ATOM 1236 O GLY A 611 -6.055 -15.555 -7.407 1.00 0.00 O ATOM 0 H GLY A 611 -1.880 -15.453 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.406 -16.173 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.117 -17.233 -6.966 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.677 -14.104 -6.377 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.714 -13.102 -6.164 1.00 0.00 C ATOM 1242 C ARG A 612 -5.261 -11.735 -6.671 1.00 0.00 C ATOM 1243 O ARG A 612 -4.321 -11.147 -6.139 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.072 -13.014 -4.680 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.901 -14.187 -4.183 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.779 -13.790 -3.006 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.702 -12.712 -3.350 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.457 -12.077 -2.461 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.398 -12.411 -1.178 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.272 -11.107 -2.852 1.00 0.00 N ATOM 0 H ARG A 612 -3.757 -13.842 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.597 -13.405 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.153 -12.956 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.622 -12.090 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.525 -14.562 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.240 -15.002 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.345 -14.658 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -7.149 -13.476 -2.174 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.771 -12.431 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -8.772 -13.156 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -9.979 -11.922 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.320 -10.847 -3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -10.851 -10.621 -2.168 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.938 -11.238 -7.702 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.603 -9.942 -8.280 1.00 0.00 C ATOM 1266 C GLU A 613 -5.499 -8.873 -7.197 1.00 0.00 C ATOM 1267 O GLU A 613 -6.411 -8.704 -6.387 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.654 -9.535 -9.316 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.716 -10.462 -10.517 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.099 -10.523 -11.136 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.777 -9.477 -11.179 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.502 -11.620 -11.577 1.00 0.00 O ATOM 0 H GLU A 613 -6.720 -11.712 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.634 -10.031 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.633 -9.509 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.440 -8.523 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.001 -10.126 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.413 -11.464 -10.214 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.381 -8.154 -7.188 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.158 -7.100 -6.205 1.00 0.00 C ATOM 1281 C ALA A 614 -4.103 -5.731 -6.873 1.00 0.00 C ATOM 1282 O ALA A 614 -3.632 -5.598 -8.002 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.876 -7.364 -5.431 1.00 0.00 C ATOM 0 H ALA A 614 -3.616 -8.282 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.996 -7.102 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.722 -6.570 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.953 -8.321 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.033 -7.391 -6.122 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.588 -4.714 -6.167 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.596 -3.354 -6.692 1.00 0.00 C ATOM 1291 C PHE A 615 -3.735 -2.433 -5.831 1.00 0.00 C ATOM 1292 O PHE A 615 -3.922 -2.348 -4.617 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.027 -2.817 -6.759 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.909 -3.581 -7.706 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.432 -3.990 -8.941 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.215 -3.888 -7.360 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.242 -4.691 -9.813 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.030 -4.589 -8.230 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.542 -4.993 -9.457 1.00 0.00 C ATOM 0 H PHE A 615 -4.980 -4.807 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.178 -3.378 -7.698 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.465 -2.848 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.000 -1.771 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.416 -3.758 -9.225 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.601 -3.577 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -6.859 -5.003 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.047 -4.820 -7.950 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.175 -5.544 -10.137 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.792 -1.747 -6.468 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.903 -0.833 -5.761 1.00 0.00 C ATOM 1311 C VAL A 616 -2.253 0.620 -6.066 1.00 0.00 C ATOM 1312 O VAL A 616 -2.030 1.103 -7.176 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.429 -1.084 -6.133 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.473 -0.061 -5.458 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.020 -2.499 -5.758 1.00 0.00 C ATOM 0 H VAL A 616 -2.624 -1.807 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.038 -1.020 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.319 -0.973 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.510 -0.254 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.192 0.941 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.363 -0.137 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 616 1.024 -2.660 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.143 -2.641 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.647 -3.213 -6.293 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.803 1.311 -5.073 1.00 0.00 N ATOM 1326 CA HIS A 617 -3.183 2.710 -5.234 1.00 0.00 C ATOM 1327 C HIS A 617 -2.214 3.626 -4.491 1.00 0.00 C ATOM 1328 O HIS A 617 -2.218 3.684 -3.262 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.607 2.936 -4.726 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.664 2.471 -5.681 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.261 1.232 -5.597 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.230 3.089 -6.743 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.149 1.106 -6.568 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.150 2.221 -7.277 1.00 0.00 N ATOM 0 H HIS A 617 -2.996 0.925 -4.149 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.142 2.951 -6.296 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.732 2.416 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.749 3.998 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.001 4.081 -7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.768 0.240 -6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.739 2.407 -8.089 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.385 4.340 -5.247 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.411 5.252 -4.660 1.00 0.00 C ATOM 1344 C VAL A 618 -1.089 6.505 -4.118 1.00 0.00 C ATOM 1345 O VAL A 618 -2.007 7.045 -4.738 1.00 0.00 O ATOM 1346 CB VAL A 618 0.661 5.664 -5.686 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.631 6.664 -5.074 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.401 4.440 -6.204 1.00 0.00 C ATOM 0 H VAL A 618 -1.369 4.304 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 618 0.069 4.718 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 618 0.165 6.145 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.381 6.943 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.085 7.553 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.122 6.213 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.155 4.750 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.885 3.929 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.694 3.763 -6.684 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.631 6.966 -2.959 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.193 8.157 -2.334 1.00 0.00 C ATOM 1360 C VAL A 619 -0.162 8.852 -1.450 1.00 0.00 C ATOM 1361 O VAL A 619 0.837 8.251 -1.052 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.432 7.816 -1.486 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.469 7.084 -2.326 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -2.037 6.989 -0.273 1.00 0.00 C ATOM 0 H VAL A 619 0.128 6.533 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.488 8.828 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.876 8.747 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.338 6.851 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.774 7.717 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.039 6.159 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.925 6.757 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.568 6.062 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.334 7.554 0.339 1.00 0.00 H new ATOM 1374 N THR A 620 -0.412 10.121 -1.144 1.00 0.00 N ATOM 1375 CA THR A 620 0.494 10.898 -0.307 1.00 0.00 C ATOM 1376 C THR A 620 0.506 10.374 1.124 1.00 0.00 C ATOM 1377 O THR A 620 -0.432 9.702 1.558 1.00 0.00 O ATOM 1378 CB THR A 620 0.106 12.389 -0.294 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.201 12.550 0.268 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.134 12.968 -1.701 1.00 0.00 C ATOM 0 H THR A 620 -1.235 10.633 -1.463 1.00 0.00 H new ATOM 0 HA THR A 620 1.490 10.793 -0.737 1.00 0.00 H new ATOM 0 HB THR A 620 0.832 12.925 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.440 13.501 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.143 14.022 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.138 12.870 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.572 12.427 -2.331 1.00 0.00 H new ATOM 1388 N LEU A 621 1.571 10.686 1.854 1.00 0.00 N ATOM 1389 CA LEU A 621 1.703 10.248 3.240 1.00 0.00 C ATOM 1390 C LEU A 621 0.434 10.550 4.030 1.00 0.00 C ATOM 1391 O LEU A 621 -0.199 9.645 4.574 1.00 0.00 O ATOM 1392 CB LEU A 621 2.903 10.931 3.898 1.00 0.00 C ATOM 1393 CG LEU A 621 3.218 10.498 5.330 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.198 8.982 5.447 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.567 11.050 5.770 1.00 0.00 C ATOM 0 H LEU A 621 2.355 11.240 1.510 1.00 0.00 H new ATOM 0 HA LEU A 621 1.861 9.169 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.783 10.747 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.730 12.007 3.895 1.00 0.00 H new ATOM 0 HG LEU A 621 2.449 10.903 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.424 8.693 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.211 8.609 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.945 8.555 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.775 10.732 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.347 10.675 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.546 12.139 5.726 1.00 0.00 H new ATOM 1407 N GLU A 622 0.067 11.826 4.087 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.127 12.246 4.811 1.00 0.00 C ATOM 1409 C GLU A 622 -2.246 11.221 4.654 1.00 0.00 C ATOM 1410 O GLU A 622 -2.687 10.613 5.628 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.598 13.614 4.311 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.813 14.146 5.052 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.516 14.473 6.502 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.039 15.596 6.771 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -2.758 13.607 7.368 1.00 0.00 O ATOM 0 H GLU A 622 0.579 12.587 3.641 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.873 12.322 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.781 14.329 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.833 13.542 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -3.177 15.042 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -3.613 13.407 5.007 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.701 11.037 3.419 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.770 10.086 3.133 1.00 0.00 C ATOM 1424 C ASP A 623 -3.530 8.765 3.860 1.00 0.00 C ATOM 1425 O ASP A 623 -4.436 8.219 4.489 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.873 9.841 1.627 1.00 0.00 C ATOM 1427 CG ASP A 623 -5.112 9.051 1.253 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -6.222 9.467 1.645 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -4.971 8.016 0.568 1.00 0.00 O ATOM 0 H ASP A 623 -2.347 11.533 2.601 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.708 10.512 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.885 10.798 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -2.987 9.304 1.288 1.00 0.00 H new ATOM 1434 N MET A 624 -2.306 8.258 3.767 1.00 0.00 N ATOM 1435 CA MET A 624 -1.949 7.001 4.416 1.00 0.00 C ATOM 1436 C MET A 624 -2.184 7.081 5.921 1.00 0.00 C ATOM 1437 O MET A 624 -2.992 6.334 6.472 1.00 0.00 O ATOM 1438 CB MET A 624 -0.485 6.656 4.135 1.00 0.00 C ATOM 1439 CG MET A 624 -0.086 5.269 4.612 1.00 0.00 C ATOM 1440 SD MET A 624 0.272 5.219 6.379 1.00 0.00 S ATOM 1441 CE MET A 624 2.026 4.854 6.359 1.00 0.00 C ATOM 0 H MET A 624 -1.545 8.697 3.249 1.00 0.00 H new ATOM 0 HA MET A 624 -2.585 6.216 4.008 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.302 6.729 3.063 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.153 7.395 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.889 4.567 4.388 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.792 4.937 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.396 4.791 7.382 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.194 3.903 5.853 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.556 5.645 5.829 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.473 7.990 6.580 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.605 8.165 8.022 1.00 0.00 C ATOM 1453 C ARG A 625 -3.074 8.194 8.433 1.00 0.00 C ATOM 1454 O ARG A 625 -3.474 7.529 9.389 1.00 0.00 O ATOM 1455 CB ARG A 625 -0.914 9.456 8.465 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.467 9.440 9.918 1.00 0.00 C ATOM 1457 CD ARG A 625 0.490 10.582 10.219 1.00 0.00 C ATOM 1458 NE ARG A 625 0.567 10.869 11.649 1.00 0.00 N ATOM 1459 CZ ARG A 625 1.194 11.926 12.154 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.794 12.792 11.350 1.00 0.00 N ATOM 1461 NH2 ARG A 625 1.220 12.118 13.467 1.00 0.00 N ATOM 0 H ARG A 625 -0.800 8.617 6.139 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.125 7.318 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.046 9.631 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.595 10.293 8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.338 9.513 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 625 0.018 8.489 10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 625 1.483 10.331 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 625 0.166 11.476 9.687 1.00 0.00 H new ATOM 0 HE ARG A 625 0.115 10.223 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.775 12.648 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 625 2.274 13.602 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 625 0.759 11.454 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 625 1.701 12.930 13.854 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.872 8.970 7.707 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.296 9.087 7.999 1.00 0.00 C ATOM 1477 C GLU A 626 -5.963 7.714 8.012 1.00 0.00 C ATOM 1478 O GLU A 626 -6.511 7.289 9.029 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.979 9.988 6.968 1.00 0.00 C ATOM 1480 CG GLU A 626 -5.988 11.457 7.354 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.772 11.721 8.625 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -7.747 10.985 8.883 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.412 12.664 9.361 1.00 0.00 O ATOM 0 H GLU A 626 -3.557 9.527 6.913 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.402 9.533 8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.473 9.876 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.006 9.652 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.962 11.800 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.417 12.040 6.539 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.911 7.028 6.875 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.510 5.704 6.756 1.00 0.00 C ATOM 1492 C ILE A 627 -6.097 4.807 7.918 1.00 0.00 C ATOM 1493 O ILE A 627 -6.936 4.368 8.704 1.00 0.00 O ATOM 1494 CB ILE A 627 -6.113 5.025 5.432 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.614 5.846 4.241 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.667 3.608 5.376 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.961 5.470 2.930 1.00 0.00 C ATOM 0 H ILE A 627 -5.461 7.366 6.024 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.591 5.843 6.775 1.00 0.00 H new ATOM 0 HB ILE A 627 -5.026 4.972 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.693 5.718 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.434 6.903 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.378 3.141 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.266 3.027 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.754 3.639 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.364 6.092 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.884 5.625 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -6.163 4.422 2.710 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.798 4.542 8.021 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.274 3.698 9.088 1.00 0.00 C ATOM 1511 C GLU A 628 -4.969 4.001 10.413 1.00 0.00 C ATOM 1512 O GLU A 628 -5.412 3.094 11.117 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.764 3.900 9.234 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.037 2.679 9.774 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.023 2.631 11.289 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -1.659 3.651 11.911 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.376 1.575 11.853 1.00 0.00 O ATOM 0 H GLU A 628 -4.090 4.899 7.379 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.470 2.659 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.345 4.162 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.581 4.745 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.514 1.777 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.011 2.679 9.405 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.059 5.285 10.746 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.700 5.711 11.984 1.00 0.00 C ATOM 1526 C LYS A 629 -7.181 5.348 11.983 1.00 0.00 C ATOM 1527 O LYS A 629 -7.664 4.668 12.888 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.534 7.221 12.176 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.085 7.662 12.293 1.00 0.00 C ATOM 1530 CD LYS A 629 -3.933 9.151 12.029 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.367 9.977 13.231 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.761 11.359 12.841 1.00 0.00 N ATOM 0 H LYS A 629 -4.696 6.048 10.175 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.217 5.191 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -5.996 7.739 11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.072 7.526 13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -3.712 7.428 13.290 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -3.475 7.102 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -2.894 9.375 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -4.529 9.430 11.160 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -5.205 9.486 13.725 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -3.553 10.022 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -5.050 11.890 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -3.954 11.837 12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.555 11.317 12.171 1.00 0.00 H new ATOM 1546 N ASN A 630 -7.898 5.806 10.961 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.325 5.529 10.843 1.00 0.00 C ATOM 1548 C ASN A 630 -9.638 4.855 9.510 1.00 0.00 C ATOM 1549 O ASN A 630 -10.229 5.452 8.609 1.00 0.00 O ATOM 1550 CB ASN A 630 -10.129 6.823 10.976 1.00 0.00 C ATOM 1551 CG ASN A 630 -11.615 6.565 11.136 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -12.235 5.902 10.305 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -12.193 7.090 12.211 1.00 0.00 N ATOM 0 H ASN A 630 -7.514 6.370 10.203 1.00 0.00 H new ATOM 0 HA ASN A 630 -9.608 4.851 11.648 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -9.766 7.387 11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -9.963 7.443 10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -13.190 6.950 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -11.640 7.633 12.874 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.235 3.582 9.381 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.464 2.800 8.163 1.00 0.00 C ATOM 1562 C PRO A 631 -10.895 2.926 7.653 1.00 0.00 C ATOM 1563 O PRO A 631 -11.831 3.183 8.412 1.00 0.00 O ATOM 1564 CB PRO A 631 -9.179 1.363 8.606 1.00 0.00 C ATOM 1565 CG PRO A 631 -8.212 1.497 9.731 1.00 0.00 C ATOM 1566 CD PRO A 631 -8.526 2.810 10.414 1.00 0.00 C ATOM 0 HA PRO A 631 -8.838 3.139 7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -10.091 0.859 8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -8.759 0.774 7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -8.310 0.664 10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -7.186 1.487 9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -9.145 2.663 11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -7.619 3.318 10.741 1.00 0.00 H new ATOM 1574 N PRO A 632 -11.074 2.742 6.336 1.00 0.00 N ATOM 1575 CA PRO A 632 -12.389 2.830 5.696 1.00 0.00 C ATOM 1576 C PRO A 632 -13.239 1.587 5.943 1.00 0.00 C ATOM 1577 O PRO A 632 -12.711 0.495 6.154 1.00 0.00 O ATOM 1578 CB PRO A 632 -12.052 2.960 4.208 1.00 0.00 C ATOM 1579 CG PRO A 632 -10.737 2.278 4.057 1.00 0.00 C ATOM 1580 CD PRO A 632 -10.006 2.433 5.372 1.00 0.00 C ATOM 0 HA PRO A 632 -12.978 3.659 6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -12.815 2.491 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -11.993 4.005 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -10.874 1.224 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -10.164 2.721 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.474 1.521 5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -9.266 3.232 5.326 1.00 0.00 H new ATOM 1588 N ALA A 633 -14.556 1.760 5.913 1.00 0.00 N ATOM 1589 CA ALA A 633 -15.478 0.652 6.131 1.00 0.00 C ATOM 1590 C ALA A 633 -16.012 0.115 4.807 1.00 0.00 C ATOM 1591 O ALA A 633 -16.170 -1.094 4.636 1.00 0.00 O ATOM 1592 CB ALA A 633 -16.625 1.089 7.028 1.00 0.00 C ATOM 0 H ALA A 633 -15.009 2.657 5.740 1.00 0.00 H new ATOM 0 HA ALA A 633 -14.932 -0.152 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -17.306 0.252 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -16.230 1.418 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -17.163 1.912 6.556 1.00 0.00 H new ATOM 1598 N GLN A 634 -16.291 1.021 3.876 1.00 0.00 N ATOM 1599 CA GLN A 634 -16.811 0.636 2.568 1.00 0.00 C ATOM 1600 C GLN A 634 -16.792 1.820 1.607 1.00 0.00 C ATOM 1601 O GLN A 634 -17.600 2.741 1.723 1.00 0.00 O ATOM 1602 CB GLN A 634 -18.234 0.093 2.701 1.00 0.00 C ATOM 1603 CG GLN A 634 -18.624 -0.870 1.592 1.00 0.00 C ATOM 1604 CD GLN A 634 -20.112 -0.855 1.302 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -20.843 0.007 1.790 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -20.569 -1.811 0.502 1.00 0.00 N ATOM 0 H GLN A 634 -16.166 2.025 4.002 1.00 0.00 H new ATOM 0 HA GLN A 634 -16.169 -0.147 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -18.333 -0.413 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -18.934 0.929 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -18.078 -0.613 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -18.322 -1.880 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -19.928 -2.506 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -21.561 -1.851 0.270 1.00 0.00 H new ATOM 1615 N GLY A 635 -15.864 1.788 0.655 1.00 0.00 N ATOM 1616 CA GLY A 635 -15.759 2.864 -0.314 1.00 0.00 C ATOM 1617 C GLY A 635 -15.028 2.440 -1.573 1.00 0.00 C ATOM 1618 O GLY A 635 -14.999 1.258 -1.916 1.00 0.00 O ATOM 0 H GLY A 635 -15.184 1.037 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -16.758 3.211 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -15.238 3.707 0.139 1.00 0.00 H new ATOM 1622 N LYS A 636 -14.437 3.408 -2.266 1.00 0.00 N ATOM 1623 CA LYS A 636 -13.703 3.131 -3.495 1.00 0.00 C ATOM 1624 C LYS A 636 -14.518 2.239 -4.426 1.00 0.00 C ATOM 1625 O LYS A 636 -13.975 1.346 -5.078 1.00 0.00 O ATOM 1626 CB LYS A 636 -12.364 2.463 -3.174 1.00 0.00 C ATOM 1627 CG LYS A 636 -11.413 2.407 -4.358 1.00 0.00 C ATOM 1628 CD LYS A 636 -10.593 3.681 -4.476 1.00 0.00 C ATOM 1629 CE LYS A 636 -11.437 4.842 -4.980 1.00 0.00 C ATOM 1630 NZ LYS A 636 -10.624 5.826 -5.748 1.00 0.00 N ATOM 0 H LYS A 636 -14.452 4.392 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 636 -13.517 4.079 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -11.884 3.004 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -12.549 1.449 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -10.745 1.552 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -11.981 2.253 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -10.169 3.933 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -9.757 3.515 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -12.239 4.461 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -11.909 5.342 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -11.235 6.602 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -9.875 6.209 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -10.194 5.355 -6.570 1.00 0.00 H new ATOM 1644 N SER A 637 -15.822 2.486 -4.484 1.00 0.00 N ATOM 1645 CA SER A 637 -16.712 1.703 -5.333 1.00 0.00 C ATOM 1646 C SER A 637 -17.096 2.487 -6.584 1.00 0.00 C ATOM 1647 O SER A 637 -18.257 2.496 -6.992 1.00 0.00 O ATOM 1648 CB SER A 637 -17.970 1.305 -4.559 1.00 0.00 C ATOM 1649 OG SER A 637 -17.656 0.437 -3.485 1.00 0.00 O ATOM 0 H SER A 637 -16.286 3.223 -3.953 1.00 0.00 H new ATOM 0 HA SER A 637 -16.183 0.801 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 637 -18.463 2.199 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 637 -18.675 0.816 -5.232 1.00 0.00 H new ATOM 0 HG SER A 637 -16.900 0.802 -2.980 1.00 0.00 H new ATOM 1655 N GLY A 638 -16.111 3.143 -7.190 1.00 0.00 N ATOM 1656 CA GLY A 638 -16.365 3.920 -8.389 1.00 0.00 C ATOM 1657 C GLY A 638 -15.332 5.008 -8.604 1.00 0.00 C ATOM 1658 O GLY A 638 -15.442 6.112 -8.072 1.00 0.00 O ATOM 0 H GLY A 638 -15.142 3.150 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -16.374 3.256 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -17.355 4.371 -8.323 1.00 0.00 H new ATOM 1662 N PRO A 639 -14.298 4.698 -9.401 1.00 0.00 N ATOM 1663 CA PRO A 639 -13.219 5.643 -9.702 1.00 0.00 C ATOM 1664 C PRO A 639 -13.640 6.696 -10.722 1.00 0.00 C ATOM 1665 O PRO A 639 -12.812 7.460 -11.218 1.00 0.00 O ATOM 1666 CB PRO A 639 -12.117 4.752 -10.279 1.00 0.00 C ATOM 1667 CG PRO A 639 -12.838 3.595 -10.876 1.00 0.00 C ATOM 1668 CD PRO A 639 -14.103 3.400 -10.068 1.00 0.00 C ATOM 0 HA PRO A 639 -12.913 6.206 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -11.531 5.283 -11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -11.423 4.428 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -13.074 3.786 -11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -12.219 2.698 -10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -14.950 3.147 -10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -13.995 2.591 -9.345 1.00 0.00 H new ATOM 1676 N SER A 640 -14.932 6.733 -11.029 1.00 0.00 N ATOM 1677 CA SER A 640 -15.463 7.690 -11.992 1.00 0.00 C ATOM 1678 C SER A 640 -16.878 8.117 -11.613 1.00 0.00 C ATOM 1679 O SER A 640 -17.595 7.387 -10.928 1.00 0.00 O ATOM 1680 CB SER A 640 -15.461 7.087 -13.398 1.00 0.00 C ATOM 1681 OG SER A 640 -16.443 6.073 -13.520 1.00 0.00 O ATOM 0 H SER A 640 -15.631 6.111 -10.624 1.00 0.00 H new ATOM 0 HA SER A 640 -14.821 8.571 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 640 -15.649 7.870 -14.133 1.00 0.00 H new ATOM 0 HB3 SER A 640 -14.477 6.673 -13.618 1.00 0.00 H new ATOM 0 HG SER A 640 -16.422 5.705 -14.428 1.00 0.00 H new ATOM 1687 N SER A 641 -17.272 9.304 -12.062 1.00 0.00 N ATOM 1688 CA SER A 641 -18.600 9.831 -11.767 1.00 0.00 C ATOM 1689 C SER A 641 -19.362 10.136 -13.053 1.00 0.00 C ATOM 1690 O SER A 641 -20.466 9.638 -13.267 1.00 0.00 O ATOM 1691 CB SER A 641 -18.490 11.095 -10.913 1.00 0.00 C ATOM 1692 OG SER A 641 -18.343 10.773 -9.540 1.00 0.00 O ATOM 0 H SER A 641 -16.691 9.919 -12.631 1.00 0.00 H new ATOM 0 HA SER A 641 -19.151 9.072 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 641 -17.637 11.688 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 641 -19.379 11.710 -11.052 1.00 0.00 H new ATOM 0 HG SER A 641 -18.273 11.598 -9.016 1.00 0.00 H new ATOM 1698 N GLY A 642 -18.761 10.960 -13.908 1.00 0.00 N ATOM 1699 CA GLY A 642 -19.397 11.317 -15.162 1.00 0.00 C ATOM 1700 C GLY A 642 -20.091 10.140 -15.818 1.00 0.00 C ATOM 1701 O GLY A 642 -21.302 9.967 -15.676 1.00 0.00 O ATOM 0 H GLY A 642 -17.847 11.385 -13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -20.124 12.110 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -18.648 11.719 -15.844 1.00 0.00 H new TER 1705 GLY A 642