USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 588 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 592 GLN : amide:sc=-0.00511 X(o=-0.0051,f=0) USER MOD Single : A 542 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 78:sc= 0.593 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 73:sc= 0.00353 USER MOD Single : A 564 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : A 570 MET CE :methyl -112:sc= -4.95! (180deg=-7.59!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.079) USER MOD Single : A 581 GLN : amide:sc= -2.41! C(o=-2.4!,f=-4.5!) USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 149:sc= -0.182 (180deg=-1.23!) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HD1:sc= -0.605 K(o=-0.61,f=0) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -5.778 14.884 1.650 1.00 32.50 N ATOM 2 CA GLY A 540 -4.744 15.532 0.864 1.00 15.11 C ATOM 3 C GLY A 540 -4.969 15.380 -0.628 1.00 3.31 C ATOM 4 O GLY A 540 -4.237 14.669 -1.318 1.00 11.24 O ATOM 0 HA2 GLY A 540 -4.710 16.592 1.117 1.00 15.11 H new ATOM 0 HA3 GLY A 540 -3.774 15.110 1.127 1.00 15.11 H new ATOM 8 N PRO A 541 -6.004 16.058 -1.147 1.00 45.11 N ATOM 9 CA PRO A 541 -6.346 16.010 -2.571 1.00 52.34 C ATOM 10 C PRO A 541 -5.316 16.723 -3.439 1.00 51.04 C ATOM 11 O PRO A 541 -5.154 16.403 -4.618 1.00 70.51 O ATOM 12 CB PRO A 541 -7.694 16.734 -2.636 1.00 74.42 C ATOM 13 CG PRO A 541 -7.695 17.640 -1.453 1.00 61.44 C ATOM 14 CD PRO A 541 -6.917 16.924 -0.383 1.00 13.32 C ATOM 0 HA PRO A 541 -6.377 14.988 -2.949 1.00 52.34 H new ATOM 0 HB2 PRO A 541 -7.797 17.295 -3.565 1.00 74.42 H new ATOM 0 HB3 PRO A 541 -8.524 16.029 -2.595 1.00 74.42 H new ATOM 0 HG2 PRO A 541 -7.235 18.598 -1.695 1.00 61.44 H new ATOM 0 HG3 PRO A 541 -8.712 17.849 -1.122 1.00 61.44 H new ATOM 0 HD2 PRO A 541 -6.371 17.622 0.252 1.00 13.32 H new ATOM 0 HD3 PRO A 541 -7.570 16.344 0.269 1.00 13.32 H new ATOM 22 N HIS A 542 -4.622 17.692 -2.851 1.00 73.13 N ATOM 23 CA HIS A 542 -3.606 18.451 -3.572 1.00 53.25 C ATOM 24 C HIS A 542 -2.513 17.527 -4.102 1.00 54.13 C ATOM 25 O HIS A 542 -1.944 16.732 -3.356 1.00 24.14 O ATOM 26 CB HIS A 542 -2.994 19.517 -2.664 1.00 23.34 C ATOM 27 CG HIS A 542 -3.876 20.710 -2.460 1.00 65.22 C ATOM 28 ND1 HIS A 542 -3.386 21.990 -2.307 1.00 41.14 N ATOM 29 CD2 HIS A 542 -5.223 20.812 -2.389 1.00 10.23 C ATOM 30 CE1 HIS A 542 -4.395 22.828 -2.148 1.00 42.10 C ATOM 31 NE2 HIS A 542 -5.520 22.139 -2.194 1.00 33.23 N ATOM 0 H HIS A 542 -4.744 17.970 -1.877 1.00 73.13 H new ATOM 0 HA HIS A 542 -4.086 18.940 -4.419 1.00 53.25 H new ATOM 0 HB2 HIS A 542 -2.770 19.071 -1.695 1.00 23.34 H new ATOM 0 HB3 HIS A 542 -2.046 19.845 -3.091 1.00 23.34 H new ATOM 0 HD2 HIS A 542 -5.932 20.002 -2.470 1.00 10.23 H new ATOM 0 HE1 HIS A 542 -4.313 23.895 -2.005 1.00 42.10 H new ATOM 0 HE2 HIS A 542 -6.458 22.529 -2.100 1.00 33.23 H new ATOM 40 N MET A 543 -2.226 17.639 -5.395 1.00 41.14 N ATOM 41 CA MET A 543 -1.200 16.815 -6.024 1.00 32.11 C ATOM 42 C MET A 543 0.016 17.654 -6.401 1.00 63.10 C ATOM 43 O MET A 543 -0.077 18.873 -6.539 1.00 21.10 O ATOM 44 CB MET A 543 -1.763 16.124 -7.267 1.00 75.20 C ATOM 45 CG MET A 543 -3.086 15.416 -7.023 1.00 32.21 C ATOM 46 SD MET A 543 -3.578 14.365 -8.403 1.00 23.11 S ATOM 47 CE MET A 543 -2.873 12.796 -7.901 1.00 14.03 C ATOM 0 H MET A 543 -2.689 18.292 -6.027 1.00 41.14 H new ATOM 0 HA MET A 543 -0.887 16.057 -5.306 1.00 32.11 H new ATOM 0 HB2 MET A 543 -1.897 16.865 -8.055 1.00 75.20 H new ATOM 0 HB3 MET A 543 -1.035 15.400 -7.631 1.00 75.20 H new ATOM 0 HG2 MET A 543 -3.008 14.810 -6.120 1.00 32.21 H new ATOM 0 HG3 MET A 543 -3.863 16.159 -6.842 1.00 32.21 H new ATOM 0 HE1 MET A 543 -3.093 12.040 -8.655 1.00 14.03 H new ATOM 0 HE2 MET A 543 -1.793 12.900 -7.795 1.00 14.03 H new ATOM 0 HE3 MET A 543 -3.304 12.492 -6.947 1.00 14.03 H new ATOM 57 N GLY A 544 1.158 16.993 -6.567 1.00 31.41 N ATOM 58 CA GLY A 544 2.376 17.694 -6.926 1.00 63.25 C ATOM 59 C GLY A 544 3.614 17.041 -6.346 1.00 25.25 C ATOM 60 O GLY A 544 4.576 16.769 -7.064 1.00 3.34 O ATOM 0 H GLY A 544 1.261 15.984 -6.459 1.00 31.41 H new ATOM 0 HA2 GLY A 544 2.464 17.731 -8.012 1.00 63.25 H new ATOM 0 HA3 GLY A 544 2.315 18.724 -6.576 1.00 63.25 H new ATOM 64 N ASP A 545 3.592 16.790 -5.041 1.00 14.24 N ATOM 65 CA ASP A 545 4.722 16.165 -4.363 1.00 20.11 C ATOM 66 C ASP A 545 4.379 14.741 -3.935 1.00 14.23 C ATOM 67 O ASP A 545 5.252 13.876 -3.866 1.00 64.45 O ATOM 68 CB ASP A 545 5.133 16.992 -3.144 1.00 13.40 C ATOM 69 CG ASP A 545 3.939 17.495 -2.356 1.00 25.32 C ATOM 70 OD1 ASP A 545 3.184 16.655 -1.823 1.00 14.22 O ATOM 71 OD2 ASP A 545 3.762 18.728 -2.272 1.00 73.41 O ATOM 0 H ASP A 545 2.804 17.010 -4.432 1.00 14.24 H new ATOM 0 HA ASP A 545 5.557 16.124 -5.063 1.00 20.11 H new ATOM 0 HB2 ASP A 545 5.765 16.386 -2.494 1.00 13.40 H new ATOM 0 HB3 ASP A 545 5.733 17.841 -3.470 1.00 13.40 H new ATOM 77 N LEU A 546 3.103 14.507 -3.647 1.00 23.40 N ATOM 78 CA LEU A 546 2.645 13.188 -3.224 1.00 72.04 C ATOM 79 C LEU A 546 3.100 12.113 -4.207 1.00 14.12 C ATOM 80 O LEU A 546 3.425 10.995 -3.811 1.00 60.33 O ATOM 81 CB LEU A 546 1.120 13.172 -3.102 1.00 64.04 C ATOM 82 CG LEU A 546 0.549 12.352 -1.944 1.00 53.24 C ATOM 83 CD1 LEU A 546 -0.965 12.486 -1.892 1.00 33.20 C ATOM 84 CD2 LEU A 546 0.954 10.892 -2.074 1.00 34.31 C ATOM 0 H LEU A 546 2.368 15.213 -3.699 1.00 23.40 H new ATOM 0 HA LEU A 546 3.084 12.972 -2.250 1.00 72.04 H new ATOM 0 HB2 LEU A 546 0.773 14.200 -2.999 1.00 64.04 H new ATOM 0 HB3 LEU A 546 0.705 12.787 -4.033 1.00 64.04 H new ATOM 0 HG LEU A 546 0.959 12.739 -1.012 1.00 53.24 H new ATOM 0 HD11 LEU A 546 -1.354 11.896 -1.062 1.00 33.20 H new ATOM 0 HD12 LEU A 546 -1.233 13.533 -1.750 1.00 33.20 H new ATOM 0 HD13 LEU A 546 -1.395 12.125 -2.827 1.00 33.20 H new ATOM 0 HD21 LEU A 546 0.539 10.324 -1.242 1.00 34.31 H new ATOM 0 HD22 LEU A 546 0.573 10.491 -3.013 1.00 34.31 H new ATOM 0 HD23 LEU A 546 2.041 10.813 -2.061 1.00 34.31 H new ATOM 96 N ALA A 547 3.120 12.461 -5.489 1.00 53.41 N ATOM 97 CA ALA A 547 3.538 11.527 -6.527 1.00 52.43 C ATOM 98 C ALA A 547 4.938 10.990 -6.251 1.00 52.31 C ATOM 99 O ALA A 547 5.260 9.856 -6.604 1.00 60.12 O ATOM 100 CB ALA A 547 3.488 12.199 -7.892 1.00 74.14 C ATOM 0 H ALA A 547 2.852 13.383 -5.834 1.00 53.41 H new ATOM 0 HA ALA A 547 2.847 10.684 -6.523 1.00 52.43 H new ATOM 0 HB1 ALA A 547 3.803 11.490 -8.658 1.00 74.14 H new ATOM 0 HB2 ALA A 547 2.470 12.528 -8.098 1.00 74.14 H new ATOM 0 HB3 ALA A 547 4.156 13.060 -7.898 1.00 74.14 H new ATOM 106 N LYS A 548 5.768 11.813 -5.619 1.00 33.44 N ATOM 107 CA LYS A 548 7.135 11.421 -5.294 1.00 14.42 C ATOM 108 C LYS A 548 7.147 10.259 -4.306 1.00 24.02 C ATOM 109 O LYS A 548 8.010 9.384 -4.374 1.00 55.55 O ATOM 110 CB LYS A 548 7.902 12.610 -4.710 1.00 31.41 C ATOM 111 CG LYS A 548 9.391 12.354 -4.553 1.00 25.42 C ATOM 112 CD LYS A 548 10.193 13.640 -4.656 1.00 52.44 C ATOM 113 CE LYS A 548 11.601 13.380 -5.167 1.00 70.04 C ATOM 114 NZ LYS A 548 11.649 13.327 -6.655 1.00 65.43 N ATOM 0 H LYS A 548 5.518 12.756 -5.321 1.00 33.44 H new ATOM 0 HA LYS A 548 7.623 11.098 -6.213 1.00 14.42 H new ATOM 0 HB2 LYS A 548 7.757 13.477 -5.354 1.00 31.41 H new ATOM 0 HB3 LYS A 548 7.480 12.861 -3.737 1.00 31.41 H new ATOM 0 HG2 LYS A 548 9.580 11.883 -3.588 1.00 25.42 H new ATOM 0 HG3 LYS A 548 9.723 11.655 -5.320 1.00 25.42 H new ATOM 0 HD2 LYS A 548 9.685 14.334 -5.325 1.00 52.44 H new ATOM 0 HD3 LYS A 548 10.242 14.118 -3.678 1.00 52.44 H new ATOM 0 HE2 LYS A 548 12.268 14.165 -4.810 1.00 70.04 H new ATOM 0 HE3 LYS A 548 11.968 12.439 -4.758 1.00 70.04 H new ATOM 0 HZ1 LYS A 548 12.626 13.148 -6.965 1.00 65.43 H new ATOM 0 HZ2 LYS A 548 11.032 12.562 -6.995 1.00 65.43 H new ATOM 0 HZ3 LYS A 548 11.323 14.234 -7.045 1.00 65.43 H new ATOM 128 N GLU A 549 6.184 10.257 -3.389 1.00 72.45 N ATOM 129 CA GLU A 549 6.086 9.201 -2.389 1.00 51.20 C ATOM 130 C GLU A 549 5.693 7.874 -3.033 1.00 42.43 C ATOM 131 O GLU A 549 6.406 6.878 -2.912 1.00 5.13 O ATOM 132 CB GLU A 549 5.064 9.580 -1.314 1.00 25.23 C ATOM 133 CG GLU A 549 5.682 9.828 0.052 1.00 11.11 C ATOM 134 CD GLU A 549 6.576 8.690 0.503 1.00 24.41 C ATOM 135 OE1 GLU A 549 6.056 7.736 1.120 1.00 54.02 O ATOM 136 OE2 GLU A 549 7.796 8.752 0.242 1.00 55.41 O ATOM 0 H GLU A 549 5.462 10.974 -3.318 1.00 72.45 H new ATOM 0 HA GLU A 549 7.066 9.084 -1.926 1.00 51.20 H new ATOM 0 HB2 GLU A 549 4.531 10.477 -1.631 1.00 25.23 H new ATOM 0 HB3 GLU A 549 4.325 8.783 -1.230 1.00 25.23 H new ATOM 0 HG2 GLU A 549 6.262 10.751 0.022 1.00 11.11 H new ATOM 0 HG3 GLU A 549 4.888 9.974 0.785 1.00 11.11 H new ATOM 144 N ARG A 550 4.556 7.871 -3.720 1.00 31.42 N ATOM 145 CA ARG A 550 4.067 6.668 -4.382 1.00 73.04 C ATOM 146 C ARG A 550 5.076 6.165 -5.411 1.00 24.23 C ATOM 147 O ARG A 550 5.104 4.980 -5.740 1.00 41.22 O ATOM 148 CB ARG A 550 2.725 6.944 -5.063 1.00 74.15 C ATOM 149 CG ARG A 550 1.901 5.692 -5.316 1.00 14.30 C ATOM 150 CD ARG A 550 0.710 5.982 -6.216 1.00 63.51 C ATOM 151 NE ARG A 550 0.890 5.430 -7.557 1.00 1.23 N ATOM 152 CZ ARG A 550 0.197 5.832 -8.616 1.00 5.01 C ATOM 153 NH1 ARG A 550 -0.718 6.783 -8.491 1.00 62.20 N ATOM 154 NH2 ARG A 550 0.418 5.282 -9.803 1.00 61.13 N ATOM 0 H ARG A 550 3.956 8.688 -3.833 1.00 31.42 H new ATOM 0 HA ARG A 550 3.931 5.897 -3.624 1.00 73.04 H new ATOM 0 HB2 ARG A 550 2.147 7.630 -4.443 1.00 74.15 H new ATOM 0 HB3 ARG A 550 2.906 7.448 -6.013 1.00 74.15 H new ATOM 0 HG2 ARG A 550 2.529 4.929 -5.776 1.00 14.30 H new ATOM 0 HG3 ARG A 550 1.551 5.287 -4.366 1.00 14.30 H new ATOM 0 HD2 ARG A 550 -0.192 5.563 -5.770 1.00 63.51 H new ATOM 0 HD3 ARG A 550 0.561 7.060 -6.284 1.00 63.51 H new ATOM 0 HE ARG A 550 1.586 4.696 -7.687 1.00 1.23 H new ATOM 0 HH11 ARG A 550 -0.891 7.208 -7.580 1.00 62.20 H new ATOM 0 HH12 ARG A 550 -1.249 7.090 -9.306 1.00 62.20 H new ATOM 0 HH21 ARG A 550 1.121 4.550 -9.903 1.00 61.13 H new ATOM 0 HH22 ARG A 550 -0.115 5.592 -10.616 1.00 61.13 H new ATOM 168 N ALA A 551 5.904 7.076 -5.914 1.00 32.34 N ATOM 169 CA ALA A 551 6.916 6.724 -6.902 1.00 42.52 C ATOM 170 C ALA A 551 8.031 5.894 -6.275 1.00 52.00 C ATOM 171 O ALA A 551 8.373 4.820 -6.770 1.00 12.54 O ATOM 172 CB ALA A 551 7.487 7.981 -7.542 1.00 70.21 C ATOM 0 H ALA A 551 5.893 8.062 -5.653 1.00 32.34 H new ATOM 0 HA ALA A 551 6.440 6.120 -7.674 1.00 42.52 H new ATOM 0 HB1 ALA A 551 8.242 7.704 -8.278 1.00 70.21 H new ATOM 0 HB2 ALA A 551 6.687 8.535 -8.033 1.00 70.21 H new ATOM 0 HB3 ALA A 551 7.942 8.606 -6.774 1.00 70.21 H new ATOM 178 N GLY A 552 8.597 6.399 -5.183 1.00 12.42 N ATOM 179 CA GLY A 552 9.668 5.692 -4.506 1.00 62.44 C ATOM 180 C GLY A 552 9.165 4.511 -3.701 1.00 33.31 C ATOM 181 O GLY A 552 9.701 3.407 -3.802 1.00 72.32 O ATOM 0 H GLY A 552 8.332 7.286 -4.755 1.00 12.42 H new ATOM 0 HA2 GLY A 552 10.392 5.344 -5.243 1.00 62.44 H new ATOM 0 HA3 GLY A 552 10.193 6.381 -3.845 1.00 62.44 H new ATOM 185 N VAL A 553 8.133 4.742 -2.895 1.00 55.03 N ATOM 186 CA VAL A 553 7.557 3.689 -2.067 1.00 74.13 C ATOM 187 C VAL A 553 7.221 2.457 -2.901 1.00 51.42 C ATOM 188 O VAL A 553 7.644 1.345 -2.584 1.00 12.34 O ATOM 189 CB VAL A 553 6.284 4.173 -1.349 1.00 14.13 C ATOM 190 CG1 VAL A 553 5.658 3.040 -0.550 1.00 1.03 C ATOM 191 CG2 VAL A 553 6.598 5.360 -0.451 1.00 32.34 C ATOM 0 H VAL A 553 7.679 5.650 -2.798 1.00 55.03 H new ATOM 0 HA VAL A 553 8.307 3.426 -1.321 1.00 74.13 H new ATOM 0 HB VAL A 553 5.564 4.496 -2.101 1.00 14.13 H new ATOM 0 HG11 VAL A 553 4.759 3.401 -0.049 1.00 1.03 H new ATOM 0 HG12 VAL A 553 5.396 2.223 -1.222 1.00 1.03 H new ATOM 0 HG13 VAL A 553 6.370 2.683 0.195 1.00 1.03 H new ATOM 0 HG21 VAL A 553 5.687 5.689 0.049 1.00 32.34 H new ATOM 0 HG22 VAL A 553 7.336 5.066 0.296 1.00 32.34 H new ATOM 0 HG23 VAL A 553 6.997 6.176 -1.053 1.00 32.34 H new ATOM 201 N TYR A 554 6.457 2.663 -3.968 1.00 70.20 N ATOM 202 CA TYR A 554 6.062 1.569 -4.847 1.00 14.02 C ATOM 203 C TYR A 554 7.276 0.756 -5.287 1.00 1.35 C ATOM 204 O TYR A 554 7.223 -0.472 -5.365 1.00 14.54 O ATOM 205 CB TYR A 554 5.326 2.112 -6.074 1.00 33.34 C ATOM 206 CG TYR A 554 4.937 1.043 -7.069 1.00 22.21 C ATOM 207 CD1 TYR A 554 3.712 0.392 -6.975 1.00 63.14 C ATOM 208 CD2 TYR A 554 5.793 0.683 -8.102 1.00 72.25 C ATOM 209 CE1 TYR A 554 3.353 -0.587 -7.882 1.00 42.31 C ATOM 210 CE2 TYR A 554 5.441 -0.293 -9.015 1.00 24.43 C ATOM 211 CZ TYR A 554 4.220 -0.925 -8.900 1.00 65.52 C ATOM 212 OH TYR A 554 3.866 -1.899 -9.806 1.00 5.40 O ATOM 0 H TYR A 554 6.099 3.577 -4.245 1.00 70.20 H new ATOM 0 HA TYR A 554 5.392 0.914 -4.290 1.00 14.02 H new ATOM 0 HB2 TYR A 554 4.428 2.635 -5.746 1.00 33.34 H new ATOM 0 HB3 TYR A 554 5.959 2.846 -6.572 1.00 33.34 H new ATOM 0 HD1 TYR A 554 3.030 0.656 -6.180 1.00 63.14 H new ATOM 0 HD2 TYR A 554 6.750 1.174 -8.193 1.00 72.25 H new ATOM 0 HE1 TYR A 554 2.399 -1.085 -7.794 1.00 42.31 H new ATOM 0 HE2 TYR A 554 6.118 -0.559 -9.814 1.00 24.43 H new ATOM 0 HH TYR A 554 4.587 -2.016 -10.459 1.00 5.40 H new ATOM 222 N THR A 555 8.372 1.452 -5.573 1.00 24.22 N ATOM 223 CA THR A 555 9.601 0.798 -6.005 1.00 33.33 C ATOM 224 C THR A 555 10.047 -0.256 -4.997 1.00 14.11 C ATOM 225 O THR A 555 10.412 -1.372 -5.370 1.00 3.44 O ATOM 226 CB THR A 555 10.740 1.815 -6.202 1.00 55.35 C ATOM 227 OG1 THR A 555 10.257 2.957 -6.919 1.00 11.44 O ATOM 228 CG2 THR A 555 11.900 1.189 -6.961 1.00 61.03 C ATOM 0 H THR A 555 8.434 2.468 -5.513 1.00 24.22 H new ATOM 0 HA THR A 555 9.384 0.317 -6.959 1.00 33.33 H new ATOM 0 HB THR A 555 11.095 2.125 -5.219 1.00 55.35 H new ATOM 0 HG1 THR A 555 9.755 3.538 -6.310 1.00 11.44 H new ATOM 0 HG21 THR A 555 12.692 1.927 -7.088 1.00 61.03 H new ATOM 0 HG22 THR A 555 12.284 0.337 -6.400 1.00 61.03 H new ATOM 0 HG23 THR A 555 11.556 0.854 -7.940 1.00 61.03 H new ATOM 236 N LYS A 556 10.012 0.103 -3.719 1.00 21.14 N ATOM 237 CA LYS A 556 10.411 -0.813 -2.656 1.00 14.44 C ATOM 238 C LYS A 556 9.313 -1.836 -2.378 1.00 42.32 C ATOM 239 O LYS A 556 9.595 -2.997 -2.079 1.00 13.31 O ATOM 240 CB LYS A 556 10.731 -0.034 -1.377 1.00 42.24 C ATOM 241 CG LYS A 556 12.207 0.284 -1.213 1.00 20.33 C ATOM 242 CD LYS A 556 12.602 1.522 -1.998 1.00 45.44 C ATOM 243 CE LYS A 556 14.067 1.874 -1.786 1.00 61.13 C ATOM 244 NZ LYS A 556 14.625 2.642 -2.933 1.00 22.00 N ATOM 0 H LYS A 556 9.712 1.022 -3.393 1.00 21.14 H new ATOM 0 HA LYS A 556 11.304 -1.344 -2.985 1.00 14.44 H new ATOM 0 HB2 LYS A 556 10.165 0.897 -1.377 1.00 42.24 H new ATOM 0 HB3 LYS A 556 10.394 -0.611 -0.516 1.00 42.24 H new ATOM 0 HG2 LYS A 556 12.432 0.435 -0.157 1.00 20.33 H new ATOM 0 HG3 LYS A 556 12.802 -0.565 -1.548 1.00 20.33 H new ATOM 0 HD2 LYS A 556 12.417 1.355 -3.059 1.00 45.44 H new ATOM 0 HD3 LYS A 556 11.977 2.362 -1.693 1.00 45.44 H new ATOM 0 HE2 LYS A 556 14.171 2.459 -0.872 1.00 61.13 H new ATOM 0 HE3 LYS A 556 14.644 0.960 -1.646 1.00 61.13 H new ATOM 0 HZ1 LYS A 556 15.625 2.862 -2.750 1.00 22.00 H new ATOM 0 HZ2 LYS A 556 14.549 2.074 -3.801 1.00 22.00 H new ATOM 0 HZ3 LYS A 556 14.091 3.527 -3.051 1.00 22.00 H new ATOM 258 N LEU A 557 8.064 -1.397 -2.482 1.00 34.44 N ATOM 259 CA LEU A 557 6.924 -2.276 -2.244 1.00 14.12 C ATOM 260 C LEU A 557 6.984 -3.503 -3.149 1.00 35.15 C ATOM 261 O LEU A 557 6.446 -4.559 -2.815 1.00 21.33 O ATOM 262 CB LEU A 557 5.614 -1.520 -2.477 1.00 61.03 C ATOM 263 CG LEU A 557 5.021 -0.814 -1.258 1.00 34.33 C ATOM 264 CD1 LEU A 557 3.885 0.108 -1.675 1.00 43.13 C ATOM 265 CD2 LEU A 557 4.534 -1.833 -0.237 1.00 3.42 C ATOM 0 H LEU A 557 7.815 -0.439 -2.729 1.00 34.44 H new ATOM 0 HA LEU A 557 6.964 -2.610 -1.207 1.00 14.12 H new ATOM 0 HB2 LEU A 557 5.780 -0.777 -3.257 1.00 61.03 H new ATOM 0 HB3 LEU A 557 4.875 -2.224 -2.860 1.00 61.03 H new ATOM 0 HG LEU A 557 5.802 -0.210 -0.796 1.00 34.33 H new ATOM 0 HD11 LEU A 557 3.475 0.602 -0.794 1.00 43.13 H new ATOM 0 HD12 LEU A 557 4.262 0.859 -2.369 1.00 43.13 H new ATOM 0 HD13 LEU A 557 3.103 -0.475 -2.161 1.00 43.13 H new ATOM 0 HD21 LEU A 557 4.115 -1.313 0.624 1.00 3.42 H new ATOM 0 HD22 LEU A 557 3.768 -2.463 -0.689 1.00 3.42 H new ATOM 0 HD23 LEU A 557 5.370 -2.453 0.085 1.00 3.42 H new ATOM 277 N CYS A 558 7.641 -3.356 -4.293 1.00 21.31 N ATOM 278 CA CYS A 558 7.772 -4.452 -5.246 1.00 71.43 C ATOM 279 C CYS A 558 8.676 -5.549 -4.691 1.00 1.31 C ATOM 280 O CYS A 558 8.606 -6.701 -5.118 1.00 5.10 O ATOM 281 CB CYS A 558 8.329 -3.938 -6.574 1.00 64.02 C ATOM 282 SG CYS A 558 7.098 -3.144 -7.633 1.00 32.02 S ATOM 0 H CYS A 558 8.092 -2.488 -4.584 1.00 21.31 H new ATOM 0 HA CYS A 558 6.781 -4.874 -5.416 1.00 71.43 H new ATOM 0 HB2 CYS A 558 9.129 -3.227 -6.369 1.00 64.02 H new ATOM 0 HB3 CYS A 558 8.775 -4.772 -7.116 1.00 64.02 H new ATOM 0 HG CYS A 558 6.787 -1.982 -7.141 1.00 32.02 H new ATOM 288 N GLY A 559 9.527 -5.181 -3.738 1.00 32.23 N ATOM 289 CA GLY A 559 10.435 -6.144 -3.141 1.00 75.25 C ATOM 290 C GLY A 559 9.944 -6.649 -1.799 1.00 2.42 C ATOM 291 O GLY A 559 10.548 -7.543 -1.205 1.00 15.24 O ATOM 0 H GLY A 559 9.604 -4.233 -3.369 1.00 32.23 H new ATOM 0 HA2 GLY A 559 10.562 -6.988 -3.819 1.00 75.25 H new ATOM 0 HA3 GLY A 559 11.416 -5.685 -3.016 1.00 75.25 H new ATOM 295 N VAL A 560 8.848 -6.072 -1.316 1.00 43.31 N ATOM 296 CA VAL A 560 8.278 -6.467 -0.033 1.00 50.05 C ATOM 297 C VAL A 560 6.933 -7.161 -0.221 1.00 64.40 C ATOM 298 O VAL A 560 6.511 -7.958 0.618 1.00 51.53 O ATOM 299 CB VAL A 560 8.091 -5.254 0.896 1.00 5.13 C ATOM 300 CG1 VAL A 560 7.713 -5.707 2.297 1.00 34.55 C ATOM 301 CG2 VAL A 560 9.355 -4.406 0.925 1.00 63.41 C ATOM 0 H VAL A 560 8.337 -5.330 -1.794 1.00 43.31 H new ATOM 0 HA VAL A 560 8.982 -7.161 0.426 1.00 50.05 H new ATOM 0 HB VAL A 560 7.278 -4.642 0.506 1.00 5.13 H new ATOM 0 HG11 VAL A 560 7.585 -4.836 2.939 1.00 34.55 H new ATOM 0 HG12 VAL A 560 6.780 -6.269 2.258 1.00 34.55 H new ATOM 0 HG13 VAL A 560 8.502 -6.342 2.700 1.00 34.55 H new ATOM 0 HG21 VAL A 560 9.206 -3.553 1.586 1.00 63.41 H new ATOM 0 HG22 VAL A 560 10.188 -5.007 1.290 1.00 63.41 H new ATOM 0 HG23 VAL A 560 9.578 -4.051 -0.081 1.00 63.41 H new ATOM 311 N PHE A 561 6.264 -6.853 -1.327 1.00 72.21 N ATOM 312 CA PHE A 561 4.966 -7.447 -1.625 1.00 30.12 C ATOM 313 C PHE A 561 4.677 -7.399 -3.122 1.00 34.52 C ATOM 314 O PHE A 561 5.260 -6.613 -3.868 1.00 1.41 O ATOM 315 CB PHE A 561 3.860 -6.719 -0.857 1.00 65.42 C ATOM 316 CG PHE A 561 3.731 -7.163 0.573 1.00 42.42 C ATOM 317 CD1 PHE A 561 3.082 -8.345 0.889 1.00 32.03 C ATOM 318 CD2 PHE A 561 4.259 -6.397 1.599 1.00 31.01 C ATOM 319 CE1 PHE A 561 2.961 -8.756 2.203 1.00 71.13 C ATOM 320 CE2 PHE A 561 4.142 -6.803 2.915 1.00 34.21 C ATOM 321 CZ PHE A 561 3.491 -7.983 3.217 1.00 32.54 C ATOM 0 H PHE A 561 6.599 -6.196 -2.031 1.00 72.21 H new ATOM 0 HA PHE A 561 4.991 -8.490 -1.311 1.00 30.12 H new ATOM 0 HB2 PHE A 561 4.058 -5.647 -0.880 1.00 65.42 H new ATOM 0 HB3 PHE A 561 2.909 -6.879 -1.366 1.00 65.42 H new ATOM 0 HD1 PHE A 561 2.666 -8.953 0.099 1.00 32.03 H new ATOM 0 HD2 PHE A 561 4.768 -5.473 1.368 1.00 31.01 H new ATOM 0 HE1 PHE A 561 2.453 -9.680 2.436 1.00 71.13 H new ATOM 0 HE2 PHE A 561 4.559 -6.198 3.706 1.00 34.21 H new ATOM 0 HZ PHE A 561 3.397 -8.301 4.245 1.00 32.54 H new ATOM 331 N PRO A 562 3.754 -8.262 -3.574 1.00 13.11 N ATOM 332 CA PRO A 562 3.365 -8.338 -4.985 1.00 20.13 C ATOM 333 C PRO A 562 2.582 -7.112 -5.439 1.00 4.44 C ATOM 334 O PRO A 562 2.142 -6.292 -4.631 1.00 32.34 O ATOM 335 CB PRO A 562 2.483 -9.588 -5.043 1.00 14.53 C ATOM 336 CG PRO A 562 1.942 -9.734 -3.662 1.00 42.32 C ATOM 337 CD PRO A 562 3.017 -9.228 -2.741 1.00 4.44 C ATOM 0 HA PRO A 562 4.232 -8.380 -5.644 1.00 20.13 H new ATOM 0 HB2 PRO A 562 1.681 -9.473 -5.772 1.00 14.53 H new ATOM 0 HB3 PRO A 562 3.059 -10.465 -5.338 1.00 14.53 H new ATOM 0 HG2 PRO A 562 1.023 -9.161 -3.540 1.00 42.32 H new ATOM 0 HG3 PRO A 562 1.700 -10.775 -3.445 1.00 42.32 H new ATOM 0 HD2 PRO A 562 2.596 -8.755 -1.854 1.00 4.44 H new ATOM 0 HD3 PRO A 562 3.663 -10.035 -2.395 1.00 4.44 H new ATOM 345 N PRO A 563 2.402 -6.978 -6.761 1.00 4.41 N ATOM 346 CA PRO A 563 1.671 -5.854 -7.351 1.00 12.23 C ATOM 347 C PRO A 563 0.176 -5.916 -7.055 1.00 41.31 C ATOM 348 O PRO A 563 -0.437 -4.912 -6.690 1.00 2.24 O ATOM 349 CB PRO A 563 1.925 -6.013 -8.852 1.00 23.11 C ATOM 350 CG PRO A 563 2.204 -7.464 -9.037 1.00 4.15 C ATOM 351 CD PRO A 563 2.900 -7.916 -7.782 1.00 14.43 C ATOM 0 HA PRO A 563 2.002 -4.897 -6.948 1.00 12.23 H new ATOM 0 HB2 PRO A 563 1.060 -5.699 -9.435 1.00 23.11 H new ATOM 0 HB3 PRO A 563 2.768 -5.403 -9.178 1.00 23.11 H new ATOM 0 HG2 PRO A 563 1.281 -8.022 -9.194 1.00 4.15 H new ATOM 0 HG3 PRO A 563 2.831 -7.632 -9.913 1.00 4.15 H new ATOM 0 HD2 PRO A 563 2.653 -8.948 -7.535 1.00 14.43 H new ATOM 0 HD3 PRO A 563 3.984 -7.863 -7.882 1.00 14.43 H new ATOM 359 N HIS A 564 -0.406 -7.100 -7.215 1.00 40.42 N ATOM 360 CA HIS A 564 -1.829 -7.292 -6.964 1.00 32.10 C ATOM 361 C HIS A 564 -2.199 -6.839 -5.554 1.00 61.35 C ATOM 362 O HIS A 564 -3.345 -6.476 -5.288 1.00 41.23 O ATOM 363 CB HIS A 564 -2.208 -8.762 -7.155 1.00 14.50 C ATOM 364 CG HIS A 564 -2.036 -9.590 -5.920 1.00 61.21 C ATOM 365 ND1 HIS A 564 -0.858 -10.237 -5.607 1.00 73.24 N ATOM 366 CD2 HIS A 564 -2.898 -9.876 -4.918 1.00 14.03 C ATOM 367 CE1 HIS A 564 -1.005 -10.885 -4.465 1.00 73.31 C ATOM 368 NE2 HIS A 564 -2.234 -10.682 -4.026 1.00 32.23 N ATOM 0 H HIS A 564 0.086 -7.941 -7.517 1.00 40.42 H new ATOM 0 HA HIS A 564 -2.384 -6.685 -7.679 1.00 32.10 H new ATOM 0 HB2 HIS A 564 -3.247 -8.822 -7.481 1.00 14.50 H new ATOM 0 HB3 HIS A 564 -1.599 -9.185 -7.954 1.00 14.50 H new ATOM 0 HD2 HIS A 564 -3.919 -9.534 -4.835 1.00 14.03 H new ATOM 0 HE1 HIS A 564 -0.249 -11.480 -3.974 1.00 73.31 H new ATOM 0 HE2 HIS A 564 -2.626 -11.062 -3.165 1.00 32.23 H new ATOM 377 N LEU A 565 -1.221 -6.864 -4.655 1.00 33.22 N ATOM 378 CA LEU A 565 -1.443 -6.457 -3.272 1.00 10.20 C ATOM 379 C LEU A 565 -1.350 -4.941 -3.130 1.00 12.34 C ATOM 380 O LEU A 565 -2.313 -4.284 -2.732 1.00 73.13 O ATOM 381 CB LEU A 565 -0.424 -7.130 -2.352 1.00 44.20 C ATOM 382 CG LEU A 565 -0.879 -8.425 -1.679 1.00 61.42 C ATOM 383 CD1 LEU A 565 0.232 -8.995 -0.811 1.00 72.54 C ATOM 384 CD2 LEU A 565 -2.134 -8.184 -0.852 1.00 60.05 C ATOM 0 H LEU A 565 -0.267 -7.162 -4.859 1.00 33.22 H new ATOM 0 HA LEU A 565 -2.446 -6.770 -2.983 1.00 10.20 H new ATOM 0 HB2 LEU A 565 0.474 -7.342 -2.932 1.00 44.20 H new ATOM 0 HB3 LEU A 565 -0.142 -6.420 -1.575 1.00 44.20 H new ATOM 0 HG LEU A 565 -1.114 -9.152 -2.456 1.00 61.42 H new ATOM 0 HD11 LEU A 565 -0.111 -9.917 -0.340 1.00 72.54 H new ATOM 0 HD12 LEU A 565 1.105 -9.206 -1.429 1.00 72.54 H new ATOM 0 HD13 LEU A 565 0.499 -8.272 -0.041 1.00 72.54 H new ATOM 0 HD21 LEU A 565 -2.444 -9.117 -0.380 1.00 60.05 H new ATOM 0 HD22 LEU A 565 -1.926 -7.440 -0.083 1.00 60.05 H new ATOM 0 HD23 LEU A 565 -2.933 -7.823 -1.500 1.00 60.05 H new ATOM 396 N VAL A 566 -0.187 -4.391 -3.460 1.00 1.43 N ATOM 397 CA VAL A 566 0.031 -2.951 -3.371 1.00 71.52 C ATOM 398 C VAL A 566 -1.022 -2.186 -4.166 1.00 62.32 C ATOM 399 O VAL A 566 -1.615 -1.230 -3.669 1.00 63.33 O ATOM 400 CB VAL A 566 1.430 -2.562 -3.887 1.00 34.14 C ATOM 401 CG1 VAL A 566 1.621 -1.054 -3.826 1.00 24.54 C ATOM 402 CG2 VAL A 566 2.508 -3.277 -3.087 1.00 63.55 C ATOM 0 H VAL A 566 0.620 -4.920 -3.792 1.00 1.43 H new ATOM 0 HA VAL A 566 -0.047 -2.683 -2.317 1.00 71.52 H new ATOM 0 HB VAL A 566 1.515 -2.873 -4.928 1.00 34.14 H new ATOM 0 HG11 VAL A 566 2.614 -0.798 -4.194 1.00 24.54 H new ATOM 0 HG12 VAL A 566 0.868 -0.567 -4.445 1.00 24.54 H new ATOM 0 HG13 VAL A 566 1.518 -0.716 -2.795 1.00 24.54 H new ATOM 0 HG21 VAL A 566 3.490 -2.992 -3.464 1.00 63.55 H new ATOM 0 HG22 VAL A 566 2.427 -2.998 -2.037 1.00 63.55 H new ATOM 0 HG23 VAL A 566 2.380 -4.355 -3.187 1.00 63.55 H new ATOM 412 N GLU A 567 -1.248 -2.616 -5.404 1.00 40.43 N ATOM 413 CA GLU A 567 -2.230 -1.971 -6.268 1.00 65.21 C ATOM 414 C GLU A 567 -3.596 -1.916 -5.592 1.00 53.34 C ATOM 415 O GLU A 567 -4.377 -0.992 -5.821 1.00 62.03 O ATOM 416 CB GLU A 567 -2.337 -2.716 -7.600 1.00 13.40 C ATOM 417 CG GLU A 567 -1.145 -2.499 -8.517 1.00 71.30 C ATOM 418 CD GLU A 567 -1.492 -2.691 -9.981 1.00 63.00 C ATOM 419 OE1 GLU A 567 -2.451 -2.045 -10.452 1.00 32.35 O ATOM 420 OE2 GLU A 567 -0.803 -3.486 -10.654 1.00 73.51 O ATOM 0 H GLU A 567 -0.765 -3.407 -5.830 1.00 40.43 H new ATOM 0 HA GLU A 567 -1.896 -0.951 -6.457 1.00 65.21 H new ATOM 0 HB2 GLU A 567 -2.443 -3.783 -7.402 1.00 13.40 H new ATOM 0 HB3 GLU A 567 -3.243 -2.395 -8.114 1.00 13.40 H new ATOM 0 HG2 GLU A 567 -0.756 -1.492 -8.369 1.00 71.30 H new ATOM 0 HG3 GLU A 567 -0.349 -3.191 -8.242 1.00 71.30 H new ATOM 428 N ALA A 568 -3.878 -2.912 -4.759 1.00 12.42 N ATOM 429 CA ALA A 568 -5.149 -2.977 -4.048 1.00 14.30 C ATOM 430 C ALA A 568 -5.116 -2.124 -2.785 1.00 11.23 C ATOM 431 O ALA A 568 -5.920 -1.207 -2.621 1.00 12.31 O ATOM 432 CB ALA A 568 -5.489 -4.419 -3.705 1.00 33.03 C ATOM 0 H ALA A 568 -3.243 -3.685 -4.560 1.00 12.42 H new ATOM 0 HA ALA A 568 -5.924 -2.579 -4.703 1.00 14.30 H new ATOM 0 HB1 ALA A 568 -6.441 -4.452 -3.174 1.00 33.03 H new ATOM 0 HB2 ALA A 568 -5.564 -5.003 -4.622 1.00 33.03 H new ATOM 0 HB3 ALA A 568 -4.706 -4.837 -3.072 1.00 33.03 H new ATOM 438 N VAL A 569 -4.181 -2.434 -1.892 1.00 4.52 N ATOM 439 CA VAL A 569 -4.042 -1.695 -0.642 1.00 41.43 C ATOM 440 C VAL A 569 -3.930 -0.196 -0.900 1.00 13.24 C ATOM 441 O VAL A 569 -4.485 0.614 -0.158 1.00 14.32 O ATOM 442 CB VAL A 569 -2.808 -2.162 0.152 1.00 63.43 C ATOM 443 CG1 VAL A 569 -2.762 -1.488 1.514 1.00 14.34 C ATOM 444 CG2 VAL A 569 -2.811 -3.676 0.296 1.00 4.15 C ATOM 0 H VAL A 569 -3.509 -3.192 -2.011 1.00 4.52 H new ATOM 0 HA VAL A 569 -4.939 -1.894 -0.055 1.00 41.43 H new ATOM 0 HB VAL A 569 -1.912 -1.874 -0.398 1.00 63.43 H new ATOM 0 HG11 VAL A 569 -1.883 -1.831 2.060 1.00 14.34 H new ATOM 0 HG12 VAL A 569 -2.709 -0.407 1.383 1.00 14.34 H new ATOM 0 HG13 VAL A 569 -3.660 -1.742 2.076 1.00 14.34 H new ATOM 0 HG21 VAL A 569 -1.932 -3.990 0.860 1.00 4.15 H new ATOM 0 HG22 VAL A 569 -3.712 -3.989 0.824 1.00 4.15 H new ATOM 0 HG23 VAL A 569 -2.791 -4.136 -0.692 1.00 4.15 H new ATOM 454 N MET A 570 -3.209 0.165 -1.955 1.00 43.42 N ATOM 455 CA MET A 570 -3.025 1.568 -2.311 1.00 31.10 C ATOM 456 C MET A 570 -4.370 2.250 -2.543 1.00 62.23 C ATOM 457 O MET A 570 -4.499 3.462 -2.372 1.00 41.02 O ATOM 458 CB MET A 570 -2.155 1.689 -3.564 1.00 31.41 C ATOM 459 CG MET A 570 -0.663 1.648 -3.274 1.00 15.23 C ATOM 460 SD MET A 570 0.281 2.754 -4.340 1.00 65.12 S ATOM 461 CE MET A 570 1.798 2.914 -3.402 1.00 5.05 C ATOM 0 H MET A 570 -2.742 -0.493 -2.579 1.00 43.42 H new ATOM 0 HA MET A 570 -2.524 2.065 -1.481 1.00 31.10 H new ATOM 0 HB2 MET A 570 -2.406 0.880 -4.250 1.00 31.41 H new ATOM 0 HB3 MET A 570 -2.393 2.623 -4.072 1.00 31.41 H new ATOM 0 HG2 MET A 570 -0.491 1.919 -2.232 1.00 15.23 H new ATOM 0 HG3 MET A 570 -0.300 0.628 -3.402 1.00 15.23 H new ATOM 0 HE1 MET A 570 1.886 3.932 -3.023 1.00 5.05 H new ATOM 0 HE2 MET A 570 1.784 2.215 -2.565 1.00 5.05 H new ATOM 0 HE3 MET A 570 2.649 2.692 -4.046 1.00 5.05 H new ATOM 471 N ARG A 571 -5.367 1.464 -2.935 1.00 12.02 N ATOM 472 CA ARG A 571 -6.702 1.992 -3.192 1.00 4.22 C ATOM 473 C ARG A 571 -7.412 2.332 -1.886 1.00 15.40 C ATOM 474 O ARG A 571 -8.491 2.927 -1.891 1.00 13.20 O ATOM 475 CB ARG A 571 -7.529 0.982 -3.989 1.00 30.15 C ATOM 476 CG ARG A 571 -8.575 1.624 -4.885 1.00 14.11 C ATOM 477 CD ARG A 571 -9.912 1.758 -4.172 1.00 54.32 C ATOM 478 NE ARG A 571 -11.039 1.619 -5.091 1.00 42.21 N ATOM 479 CZ ARG A 571 -12.294 1.904 -4.763 1.00 51.13 C ATOM 480 NH1 ARG A 571 -12.582 2.341 -3.545 1.00 72.22 N ATOM 481 NH2 ARG A 571 -13.264 1.752 -5.656 1.00 33.10 N ATOM 0 H ARG A 571 -5.276 0.459 -3.082 1.00 12.02 H new ATOM 0 HA ARG A 571 -6.598 2.906 -3.777 1.00 4.22 H new ATOM 0 HB2 ARG A 571 -6.859 0.379 -4.602 1.00 30.15 H new ATOM 0 HB3 ARG A 571 -8.024 0.303 -3.295 1.00 30.15 H new ATOM 0 HG2 ARG A 571 -8.230 2.608 -5.202 1.00 14.11 H new ATOM 0 HG3 ARG A 571 -8.701 1.025 -5.787 1.00 14.11 H new ATOM 0 HD2 ARG A 571 -9.985 1.000 -3.392 1.00 54.32 H new ATOM 0 HD3 ARG A 571 -9.964 2.729 -3.679 1.00 54.32 H new ATOM 0 HE ARG A 571 -10.852 1.285 -6.036 1.00 42.21 H new ATOM 0 HH11 ARG A 571 -11.839 2.459 -2.857 1.00 72.22 H new ATOM 0 HH12 ARG A 571 -13.547 2.559 -3.296 1.00 72.22 H new ATOM 0 HH21 ARG A 571 -13.046 1.416 -6.594 1.00 33.10 H new ATOM 0 HH22 ARG A 571 -14.228 1.971 -5.404 1.00 33.10 H new ATOM 495 N ARG A 572 -6.802 1.950 -0.769 1.00 35.32 N ATOM 496 CA ARG A 572 -7.378 2.212 0.544 1.00 12.25 C ATOM 497 C ARG A 572 -6.771 3.467 1.164 1.00 22.00 C ATOM 498 O ARG A 572 -7.466 4.254 1.806 1.00 43.02 O ATOM 499 CB ARG A 572 -7.158 1.014 1.471 1.00 42.44 C ATOM 500 CG ARG A 572 -7.940 1.097 2.771 1.00 72.43 C ATOM 501 CD ARG A 572 -9.285 0.395 2.658 1.00 62.14 C ATOM 502 NE ARG A 572 -9.822 0.027 3.965 1.00 71.53 N ATOM 503 CZ ARG A 572 -11.052 -0.441 4.148 1.00 5.42 C ATOM 504 NH1 ARG A 572 -11.867 -0.596 3.115 1.00 63.44 N ATOM 505 NH2 ARG A 572 -11.467 -0.754 5.369 1.00 75.44 N ATOM 0 H ARG A 572 -5.909 1.458 -0.747 1.00 35.32 H new ATOM 0 HA ARG A 572 -8.449 2.372 0.417 1.00 12.25 H new ATOM 0 HB2 ARG A 572 -7.440 0.102 0.945 1.00 42.44 H new ATOM 0 HB3 ARG A 572 -6.096 0.934 1.701 1.00 42.44 H new ATOM 0 HG2 ARG A 572 -7.359 0.646 3.576 1.00 72.43 H new ATOM 0 HG3 ARG A 572 -8.095 2.142 3.037 1.00 72.43 H new ATOM 0 HD2 ARG A 572 -9.992 1.047 2.146 1.00 62.14 H new ATOM 0 HD3 ARG A 572 -9.176 -0.500 2.046 1.00 62.14 H new ATOM 0 HE ARG A 572 -9.220 0.135 4.782 1.00 71.53 H new ATOM 0 HH11 ARG A 572 -11.551 -0.356 2.175 1.00 63.44 H new ATOM 0 HH12 ARG A 572 -12.811 -0.956 3.259 1.00 63.44 H new ATOM 0 HH21 ARG A 572 -10.842 -0.635 6.166 1.00 75.44 H new ATOM 0 HH22 ARG A 572 -12.411 -1.113 5.510 1.00 75.44 H new ATOM 519 N PHE A 573 -5.468 3.646 0.969 1.00 60.20 N ATOM 520 CA PHE A 573 -4.765 4.803 1.510 1.00 52.24 C ATOM 521 C PHE A 573 -4.271 5.712 0.387 1.00 30.04 C ATOM 522 O PHE A 573 -3.083 5.759 0.071 1.00 43.41 O ATOM 523 CB PHE A 573 -3.586 4.352 2.373 1.00 44.41 C ATOM 524 CG PHE A 573 -4.000 3.740 3.680 1.00 31.31 C ATOM 525 CD1 PHE A 573 -4.594 2.489 3.717 1.00 22.21 C ATOM 526 CD2 PHE A 573 -3.794 4.414 4.873 1.00 53.52 C ATOM 527 CE1 PHE A 573 -4.977 1.923 4.919 1.00 60.24 C ATOM 528 CE2 PHE A 573 -4.174 3.854 6.077 1.00 1.15 C ATOM 529 CZ PHE A 573 -4.766 2.606 6.101 1.00 64.42 C ATOM 0 H PHE A 573 -4.878 3.004 0.440 1.00 60.20 H new ATOM 0 HA PHE A 573 -5.464 5.366 2.129 1.00 52.24 H new ATOM 0 HB2 PHE A 573 -2.993 3.629 1.814 1.00 44.41 H new ATOM 0 HB3 PHE A 573 -2.942 5.209 2.570 1.00 44.41 H new ATOM 0 HD1 PHE A 573 -4.760 1.950 2.796 1.00 22.21 H new ATOM 0 HD2 PHE A 573 -3.331 5.389 4.861 1.00 53.52 H new ATOM 0 HE1 PHE A 573 -5.441 0.948 4.934 1.00 60.24 H new ATOM 0 HE2 PHE A 573 -4.008 4.391 6.999 1.00 1.15 H new ATOM 0 HZ PHE A 573 -5.063 2.166 7.041 1.00 64.42 H new ATOM 539 N PRO A 574 -5.205 6.452 -0.228 1.00 50.04 N ATOM 540 CA PRO A 574 -4.889 7.373 -1.324 1.00 55.33 C ATOM 541 C PRO A 574 -4.100 8.589 -0.851 1.00 24.53 C ATOM 542 O PRO A 574 -3.611 9.375 -1.660 1.00 71.13 O ATOM 543 CB PRO A 574 -6.267 7.798 -1.839 1.00 2.22 C ATOM 544 CG PRO A 574 -7.178 7.620 -0.673 1.00 0.52 C ATOM 545 CD PRO A 574 -6.642 6.446 0.097 1.00 41.24 C ATOM 0 HA PRO A 574 -4.261 6.904 -2.081 1.00 55.33 H new ATOM 0 HB2 PRO A 574 -6.260 8.833 -2.182 1.00 2.22 H new ATOM 0 HB3 PRO A 574 -6.581 7.185 -2.684 1.00 2.22 H new ATOM 0 HG2 PRO A 574 -7.198 8.517 -0.053 1.00 0.52 H new ATOM 0 HG3 PRO A 574 -8.201 7.437 -1.002 1.00 0.52 H new ATOM 0 HD2 PRO A 574 -6.812 6.556 1.168 1.00 41.24 H new ATOM 0 HD3 PRO A 574 -7.119 5.514 -0.207 1.00 41.24 H new ATOM 553 N GLN A 575 -3.979 8.734 0.465 1.00 74.11 N ATOM 554 CA GLN A 575 -3.249 9.854 1.045 1.00 62.02 C ATOM 555 C GLN A 575 -1.986 9.373 1.751 1.00 4.53 C ATOM 556 O GLN A 575 -1.103 10.168 2.078 1.00 11.21 O ATOM 557 CB GLN A 575 -4.138 10.615 2.029 1.00 0.52 C ATOM 558 CG GLN A 575 -4.381 9.871 3.332 1.00 31.20 C ATOM 559 CD GLN A 575 -5.327 10.608 4.259 1.00 10.31 C ATOM 560 OE1 GLN A 575 -4.949 11.592 4.895 1.00 10.24 O ATOM 561 NE2 GLN A 575 -6.566 10.137 4.340 1.00 61.25 N ATOM 0 H GLN A 575 -4.377 8.090 1.149 1.00 74.11 H new ATOM 0 HA GLN A 575 -2.959 10.524 0.236 1.00 62.02 H new ATOM 0 HB2 GLN A 575 -3.678 11.578 2.251 1.00 0.52 H new ATOM 0 HB3 GLN A 575 -5.097 10.821 1.554 1.00 0.52 H new ATOM 0 HG2 GLN A 575 -4.790 8.885 3.112 1.00 31.20 H new ATOM 0 HG3 GLN A 575 -3.429 9.715 3.840 1.00 31.20 H new ATOM 0 HE21 GLN A 575 -6.837 9.318 3.795 1.00 61.25 H new ATOM 0 HE22 GLN A 575 -7.247 10.594 4.947 1.00 61.25 H new ATOM 570 N LEU A 576 -1.904 8.067 1.983 1.00 42.43 N ATOM 571 CA LEU A 576 -0.748 7.480 2.651 1.00 61.10 C ATOM 572 C LEU A 576 -0.191 6.310 1.846 1.00 34.31 C ATOM 573 O LEU A 576 -0.884 5.318 1.612 1.00 61.11 O ATOM 574 CB LEU A 576 -1.129 7.012 4.056 1.00 71.11 C ATOM 575 CG LEU A 576 -0.474 7.765 5.214 1.00 31.35 C ATOM 576 CD1 LEU A 576 -0.870 7.144 6.546 1.00 62.44 C ATOM 577 CD2 LEU A 576 1.039 7.773 5.058 1.00 62.03 C ATOM 0 H LEU A 576 -2.624 7.395 1.718 1.00 42.43 H new ATOM 0 HA LEU A 576 0.024 8.245 2.727 1.00 61.10 H new ATOM 0 HB2 LEU A 576 -2.211 7.091 4.163 1.00 71.11 H new ATOM 0 HB3 LEU A 576 -0.876 5.956 4.147 1.00 71.11 H new ATOM 0 HG LEU A 576 -0.827 8.796 5.197 1.00 31.35 H new ATOM 0 HD11 LEU A 576 -0.395 7.693 7.359 1.00 62.44 H new ATOM 0 HD12 LEU A 576 -1.953 7.190 6.661 1.00 62.44 H new ATOM 0 HD13 LEU A 576 -0.547 6.103 6.573 1.00 62.44 H new ATOM 0 HD21 LEU A 576 1.488 8.313 5.891 1.00 62.03 H new ATOM 0 HD22 LEU A 576 1.409 6.748 5.049 1.00 62.03 H new ATOM 0 HD23 LEU A 576 1.306 8.263 4.122 1.00 62.03 H new ATOM 589 N LEU A 577 1.063 6.430 1.427 1.00 60.12 N ATOM 590 CA LEU A 577 1.715 5.382 0.650 1.00 22.55 C ATOM 591 C LEU A 577 3.092 5.057 1.220 1.00 5.53 C ATOM 592 O LEU A 577 4.073 5.738 0.922 1.00 5.01 O ATOM 593 CB LEU A 577 1.843 5.808 -0.813 1.00 31.31 C ATOM 594 CG LEU A 577 0.541 5.865 -1.612 1.00 45.35 C ATOM 595 CD1 LEU A 577 -0.231 4.563 -1.468 1.00 53.42 C ATOM 596 CD2 LEU A 577 -0.309 7.045 -1.163 1.00 70.43 C ATOM 0 H LEU A 577 1.650 7.244 1.612 1.00 60.12 H new ATOM 0 HA LEU A 577 1.098 4.485 0.708 1.00 22.55 H new ATOM 0 HB2 LEU A 577 2.308 6.793 -0.844 1.00 31.31 H new ATOM 0 HB3 LEU A 577 2.523 5.118 -1.313 1.00 31.31 H new ATOM 0 HG LEU A 577 0.788 6.001 -2.665 1.00 45.35 H new ATOM 0 HD11 LEU A 577 -1.155 4.622 -2.044 1.00 53.42 H new ATOM 0 HD12 LEU A 577 0.376 3.737 -1.840 1.00 53.42 H new ATOM 0 HD13 LEU A 577 -0.468 4.395 -0.417 1.00 53.42 H new ATOM 0 HD21 LEU A 577 -1.232 7.070 -1.742 1.00 70.43 H new ATOM 0 HD22 LEU A 577 -0.548 6.940 -0.105 1.00 70.43 H new ATOM 0 HD23 LEU A 577 0.243 7.972 -1.320 1.00 70.43 H new ATOM 608 N ASP A 578 3.157 4.013 2.039 1.00 53.43 N ATOM 609 CA ASP A 578 4.414 3.596 2.647 1.00 24.01 C ATOM 610 C ASP A 578 4.660 2.107 2.424 1.00 62.14 C ATOM 611 O ASP A 578 3.729 1.317 2.262 1.00 63.10 O ATOM 612 CB ASP A 578 4.407 3.904 4.146 1.00 41.40 C ATOM 613 CG ASP A 578 5.146 5.186 4.476 1.00 41.43 C ATOM 614 OD1 ASP A 578 4.623 6.274 4.153 1.00 70.25 O ATOM 615 OD2 ASP A 578 6.247 5.103 5.060 1.00 53.24 O ATOM 0 H ASP A 578 2.353 3.440 2.297 1.00 53.43 H new ATOM 0 HA ASP A 578 5.220 4.154 2.172 1.00 24.01 H new ATOM 0 HB2 ASP A 578 3.377 3.982 4.493 1.00 41.40 H new ATOM 0 HB3 ASP A 578 4.864 3.075 4.687 1.00 41.40 H new ATOM 621 N PRO A 579 5.942 1.713 2.412 1.00 13.14 N ATOM 622 CA PRO A 579 6.339 0.317 2.209 1.00 42.03 C ATOM 623 C PRO A 579 5.975 -0.569 3.396 1.00 44.34 C ATOM 624 O PRO A 579 5.393 -1.640 3.226 1.00 0.50 O ATOM 625 CB PRO A 579 7.860 0.401 2.050 1.00 71.25 C ATOM 626 CG PRO A 579 8.248 1.643 2.774 1.00 64.44 C ATOM 627 CD PRO A 579 7.102 2.601 2.599 1.00 60.14 C ATOM 0 HA PRO A 579 5.831 -0.131 1.355 1.00 42.03 H new ATOM 0 HB2 PRO A 579 8.351 -0.475 2.474 1.00 71.25 H new ATOM 0 HB3 PRO A 579 8.146 0.449 0.999 1.00 71.25 H new ATOM 0 HG2 PRO A 579 8.428 1.439 3.829 1.00 64.44 H new ATOM 0 HG3 PRO A 579 9.170 2.059 2.368 1.00 64.44 H new ATOM 0 HD2 PRO A 579 6.979 3.245 3.470 1.00 60.14 H new ATOM 0 HD3 PRO A 579 7.251 3.254 1.739 1.00 60.14 H new ATOM 635 N GLN A 580 6.323 -0.114 4.595 1.00 2.12 N ATOM 636 CA GLN A 580 6.034 -0.867 5.809 1.00 14.24 C ATOM 637 C GLN A 580 4.586 -0.662 6.244 1.00 71.00 C ATOM 638 O GLN A 580 3.855 -1.625 6.473 1.00 34.40 O ATOM 639 CB GLN A 580 6.980 -0.445 6.934 1.00 3.13 C ATOM 640 CG GLN A 580 8.361 -1.074 6.835 1.00 34.24 C ATOM 641 CD GLN A 580 9.437 -0.068 6.481 1.00 52.54 C ATOM 642 OE1 GLN A 580 9.900 0.691 7.333 1.00 61.41 O ATOM 643 NE2 GLN A 580 9.840 -0.054 5.216 1.00 45.23 N ATOM 0 H GLN A 580 6.805 0.771 4.752 1.00 2.12 H new ATOM 0 HA GLN A 580 6.185 -1.925 5.595 1.00 14.24 H new ATOM 0 HB2 GLN A 580 7.082 0.640 6.924 1.00 3.13 H new ATOM 0 HB3 GLN A 580 6.535 -0.714 7.892 1.00 3.13 H new ATOM 0 HG2 GLN A 580 8.610 -1.547 7.785 1.00 34.24 H new ATOM 0 HG3 GLN A 580 8.344 -1.862 6.082 1.00 34.24 H new ATOM 0 HE21 GLN A 580 9.429 -0.701 4.543 1.00 45.23 H new ATOM 0 HE22 GLN A 580 10.560 0.604 4.918 1.00 45.23 H new ATOM 652 N GLN A 581 4.178 0.598 6.355 1.00 45.14 N ATOM 653 CA GLN A 581 2.819 0.929 6.763 1.00 74.21 C ATOM 654 C GLN A 581 1.801 0.094 5.992 1.00 31.42 C ATOM 655 O GLN A 581 0.976 -0.602 6.585 1.00 41.40 O ATOM 656 CB GLN A 581 2.545 2.418 6.545 1.00 73.03 C ATOM 657 CG GLN A 581 1.954 3.112 7.760 1.00 1.25 C ATOM 658 CD GLN A 581 1.923 4.621 7.613 1.00 52.22 C ATOM 659 OE1 GLN A 581 0.892 5.257 7.832 1.00 62.13 O ATOM 660 NE2 GLN A 581 3.057 5.203 7.239 1.00 20.35 N ATOM 0 H GLN A 581 4.770 1.407 6.168 1.00 45.14 H new ATOM 0 HA GLN A 581 2.720 0.701 7.824 1.00 74.21 H new ATOM 0 HB2 GLN A 581 3.476 2.914 6.271 1.00 73.03 H new ATOM 0 HB3 GLN A 581 1.862 2.534 5.703 1.00 73.03 H new ATOM 0 HG2 GLN A 581 0.941 2.746 7.926 1.00 1.25 H new ATOM 0 HG3 GLN A 581 2.536 2.849 8.643 1.00 1.25 H new ATOM 0 HE21 GLN A 581 3.888 4.637 7.068 1.00 20.35 H new ATOM 0 HE22 GLN A 581 3.096 6.216 7.123 1.00 20.35 H new ATOM 669 N LEU A 582 1.865 0.168 4.667 1.00 41.32 N ATOM 670 CA LEU A 582 0.949 -0.581 3.814 1.00 44.31 C ATOM 671 C LEU A 582 0.934 -2.058 4.195 1.00 52.23 C ATOM 672 O LEU A 582 -0.117 -2.698 4.196 1.00 51.12 O ATOM 673 CB LEU A 582 1.348 -0.425 2.345 1.00 73.42 C ATOM 674 CG LEU A 582 0.953 0.893 1.678 1.00 11.40 C ATOM 675 CD1 LEU A 582 1.485 0.952 0.255 1.00 30.23 C ATOM 676 CD2 LEU A 582 -0.558 1.067 1.693 1.00 53.34 C ATOM 0 H LEU A 582 2.541 0.739 4.160 1.00 41.32 H new ATOM 0 HA LEU A 582 -0.054 -0.178 3.957 1.00 44.31 H new ATOM 0 HB2 LEU A 582 2.430 -0.537 2.269 1.00 73.42 H new ATOM 0 HB3 LEU A 582 0.902 -1.243 1.779 1.00 73.42 H new ATOM 0 HG LEU A 582 1.398 1.712 2.244 1.00 11.40 H new ATOM 0 HD11 LEU A 582 1.194 1.897 -0.203 1.00 30.23 H new ATOM 0 HD12 LEU A 582 2.572 0.875 0.270 1.00 30.23 H new ATOM 0 HD13 LEU A 582 1.071 0.126 -0.323 1.00 30.23 H new ATOM 0 HD21 LEU A 582 -0.820 2.010 1.214 1.00 53.34 H new ATOM 0 HD22 LEU A 582 -1.024 0.244 1.152 1.00 53.34 H new ATOM 0 HD23 LEU A 582 -0.913 1.072 2.723 1.00 53.34 H new ATOM 688 N ALA A 583 2.107 -2.591 4.520 1.00 34.44 N ATOM 689 CA ALA A 583 2.228 -3.992 4.907 1.00 31.05 C ATOM 690 C ALA A 583 1.234 -4.345 6.009 1.00 11.51 C ATOM 691 O ALA A 583 0.526 -5.347 5.921 1.00 32.34 O ATOM 692 CB ALA A 583 3.648 -4.293 5.360 1.00 2.15 C ATOM 0 H ALA A 583 2.987 -2.075 4.523 1.00 34.44 H new ATOM 0 HA ALA A 583 1.998 -4.605 4.036 1.00 31.05 H new ATOM 0 HB1 ALA A 583 3.724 -5.342 5.646 1.00 2.15 H new ATOM 0 HB2 ALA A 583 4.341 -4.088 4.544 1.00 2.15 H new ATOM 0 HB3 ALA A 583 3.898 -3.665 6.215 1.00 2.15 H new ATOM 698 N ALA A 584 1.186 -3.513 7.045 1.00 23.42 N ATOM 699 CA ALA A 584 0.278 -3.737 8.162 1.00 34.34 C ATOM 700 C ALA A 584 -1.151 -3.952 7.674 1.00 53.10 C ATOM 701 O ALA A 584 -1.888 -4.769 8.225 1.00 20.41 O ATOM 702 CB ALA A 584 0.335 -2.566 9.133 1.00 63.23 C ATOM 0 H ALA A 584 1.765 -2.678 7.133 1.00 23.42 H new ATOM 0 HA ALA A 584 0.597 -4.641 8.681 1.00 34.34 H new ATOM 0 HB1 ALA A 584 -0.349 -2.747 9.962 1.00 63.23 H new ATOM 0 HB2 ALA A 584 1.350 -2.460 9.516 1.00 63.23 H new ATOM 0 HB3 ALA A 584 0.044 -1.651 8.617 1.00 63.23 H new ATOM 708 N GLU A 585 -1.536 -3.213 6.638 1.00 4.15 N ATOM 709 CA GLU A 585 -2.877 -3.322 6.078 1.00 73.13 C ATOM 710 C GLU A 585 -3.036 -4.625 5.298 1.00 41.33 C ATOM 711 O GLU A 585 -4.119 -5.210 5.261 1.00 50.11 O ATOM 712 CB GLU A 585 -3.172 -2.130 5.166 1.00 51.12 C ATOM 713 CG GLU A 585 -3.297 -0.811 5.909 1.00 21.03 C ATOM 714 CD GLU A 585 -4.599 -0.696 6.679 1.00 64.04 C ATOM 715 OE1 GLU A 585 -5.611 -1.263 6.217 1.00 2.13 O ATOM 716 OE2 GLU A 585 -4.605 -0.039 7.741 1.00 62.23 O ATOM 0 H GLU A 585 -0.938 -2.532 6.170 1.00 4.15 H new ATOM 0 HA GLU A 585 -3.589 -3.323 6.904 1.00 73.13 H new ATOM 0 HB2 GLU A 585 -2.378 -2.046 4.424 1.00 51.12 H new ATOM 0 HB3 GLU A 585 -4.097 -2.320 4.622 1.00 51.12 H new ATOM 0 HG2 GLU A 585 -2.460 -0.707 6.600 1.00 21.03 H new ATOM 0 HG3 GLU A 585 -3.227 0.011 5.197 1.00 21.03 H new ATOM 724 N ILE A 586 -1.950 -5.072 4.676 1.00 3.31 N ATOM 725 CA ILE A 586 -1.968 -6.304 3.898 1.00 11.12 C ATOM 726 C ILE A 586 -2.137 -7.522 4.800 1.00 4.52 C ATOM 727 O ILE A 586 -2.858 -8.462 4.465 1.00 52.11 O ATOM 728 CB ILE A 586 -0.680 -6.466 3.070 1.00 73.00 C ATOM 729 CG1 ILE A 586 -0.505 -5.279 2.121 1.00 43.12 C ATOM 730 CG2 ILE A 586 -0.712 -7.773 2.292 1.00 4.32 C ATOM 731 CD1 ILE A 586 0.916 -5.102 1.630 1.00 31.25 C ATOM 0 H ILE A 586 -1.047 -4.599 4.696 1.00 3.31 H new ATOM 0 HA ILE A 586 -2.819 -6.237 3.220 1.00 11.12 H new ATOM 0 HB ILE A 586 0.171 -6.491 3.750 1.00 73.00 H new ATOM 0 HG12 ILE A 586 -1.164 -5.410 1.263 1.00 43.12 H new ATOM 0 HG13 ILE A 586 -0.821 -4.368 2.629 1.00 43.12 H new ATOM 0 HG21 ILE A 586 0.205 -7.873 1.712 1.00 4.32 H new ATOM 0 HG22 ILE A 586 -0.795 -8.608 2.987 1.00 4.32 H new ATOM 0 HG23 ILE A 586 -1.569 -7.775 1.619 1.00 4.32 H new ATOM 0 HD11 ILE A 586 0.966 -4.242 0.962 1.00 31.25 H new ATOM 0 HD12 ILE A 586 1.577 -4.939 2.481 1.00 31.25 H new ATOM 0 HD13 ILE A 586 1.230 -5.997 1.093 1.00 31.25 H new ATOM 743 N LEU A 587 -1.467 -7.497 5.947 1.00 12.24 N ATOM 744 CA LEU A 587 -1.544 -8.598 6.901 1.00 24.12 C ATOM 745 C LEU A 587 -2.977 -8.805 7.381 1.00 24.12 C ATOM 746 O LEU A 587 -3.414 -9.935 7.595 1.00 65.21 O ATOM 747 CB LEU A 587 -0.627 -8.330 8.096 1.00 50.40 C ATOM 748 CG LEU A 587 0.853 -8.652 7.892 1.00 41.11 C ATOM 749 CD1 LEU A 587 1.718 -7.777 8.786 1.00 31.40 C ATOM 750 CD2 LEU A 587 1.120 -10.125 8.164 1.00 31.11 C ATOM 0 H LEU A 587 -0.865 -6.727 6.239 1.00 12.24 H new ATOM 0 HA LEU A 587 -1.215 -9.506 6.396 1.00 24.12 H new ATOM 0 HB2 LEU A 587 -0.715 -7.278 8.367 1.00 50.40 H new ATOM 0 HB3 LEU A 587 -0.991 -8.910 8.945 1.00 50.40 H new ATOM 0 HG LEU A 587 1.111 -8.442 6.854 1.00 41.11 H new ATOM 0 HD11 LEU A 587 2.768 -8.021 8.627 1.00 31.40 H new ATOM 0 HD12 LEU A 587 1.548 -6.728 8.543 1.00 31.40 H new ATOM 0 HD13 LEU A 587 1.458 -7.954 9.830 1.00 31.40 H new ATOM 0 HD21 LEU A 587 2.179 -10.337 8.014 1.00 31.11 H new ATOM 0 HD22 LEU A 587 0.845 -10.361 9.192 1.00 31.11 H new ATOM 0 HD23 LEU A 587 0.528 -10.734 7.481 1.00 31.11 H new ATOM 762 N SER A 588 -3.704 -7.704 7.547 1.00 22.13 N ATOM 763 CA SER A 588 -5.088 -7.764 8.004 1.00 43.23 C ATOM 764 C SER A 588 -6.023 -8.129 6.855 1.00 71.32 C ATOM 765 O SER A 588 -6.918 -8.961 7.008 1.00 21.32 O ATOM 766 CB SER A 588 -5.505 -6.423 8.611 1.00 52.13 C ATOM 767 OG SER A 588 -6.575 -6.589 9.526 1.00 64.14 O ATOM 0 H SER A 588 -3.358 -6.761 7.372 1.00 22.13 H new ATOM 0 HA SER A 588 -5.160 -8.538 8.768 1.00 43.23 H new ATOM 0 HB2 SER A 588 -4.654 -5.970 9.120 1.00 52.13 H new ATOM 0 HB3 SER A 588 -5.804 -5.738 7.817 1.00 52.13 H new ATOM 0 HG SER A 588 -6.822 -5.718 9.902 1.00 64.14 H new ATOM 773 N TYR A 589 -5.810 -7.500 5.705 1.00 71.54 N ATOM 774 CA TYR A 589 -6.635 -7.755 4.530 1.00 73.23 C ATOM 775 C TYR A 589 -6.643 -9.241 4.181 1.00 20.12 C ATOM 776 O TYR A 589 -7.686 -9.809 3.858 1.00 63.52 O ATOM 777 CB TYR A 589 -6.126 -6.943 3.337 1.00 73.33 C ATOM 778 CG TYR A 589 -6.796 -7.303 2.030 1.00 23.00 C ATOM 779 CD1 TYR A 589 -8.181 -7.341 1.923 1.00 22.33 C ATOM 780 CD2 TYR A 589 -6.044 -7.602 0.901 1.00 24.41 C ATOM 781 CE1 TYR A 589 -8.796 -7.669 0.731 1.00 53.10 C ATOM 782 CE2 TYR A 589 -6.651 -7.931 -0.296 1.00 43.50 C ATOM 783 CZ TYR A 589 -8.028 -7.964 -0.376 1.00 10.51 C ATOM 784 OH TYR A 589 -8.637 -8.289 -1.565 1.00 53.00 O ATOM 0 H TYR A 589 -5.073 -6.810 5.561 1.00 71.54 H new ATOM 0 HA TYR A 589 -7.655 -7.449 4.761 1.00 73.23 H new ATOM 0 HB2 TYR A 589 -6.283 -5.883 3.536 1.00 73.33 H new ATOM 0 HB3 TYR A 589 -5.051 -7.093 3.238 1.00 73.33 H new ATOM 0 HD1 TYR A 589 -8.787 -7.110 2.787 1.00 22.33 H new ATOM 0 HD2 TYR A 589 -4.966 -7.577 0.960 1.00 24.41 H new ATOM 0 HE1 TYR A 589 -9.874 -7.694 0.666 1.00 53.10 H new ATOM 0 HE2 TYR A 589 -6.051 -8.161 -1.164 1.00 43.50 H new ATOM 0 HH TYR A 589 -7.954 -8.468 -2.244 1.00 53.00 H new ATOM 794 N LYS A 590 -5.472 -9.864 4.251 1.00 5.50 N ATOM 795 CA LYS A 590 -5.340 -11.284 3.946 1.00 3.13 C ATOM 796 C LYS A 590 -5.924 -12.138 5.067 1.00 1.53 C ATOM 797 O LYS A 590 -6.757 -13.011 4.826 1.00 52.42 O ATOM 798 CB LYS A 590 -3.869 -11.646 3.728 1.00 51.04 C ATOM 799 CG LYS A 590 -3.236 -10.931 2.547 1.00 71.43 C ATOM 800 CD LYS A 590 -3.547 -11.636 1.237 1.00 50.11 C ATOM 801 CE LYS A 590 -2.540 -12.737 0.942 1.00 4.33 C ATOM 802 NZ LYS A 590 -2.962 -14.043 1.518 1.00 24.44 N ATOM 0 H LYS A 590 -4.599 -9.407 4.517 1.00 5.50 H new ATOM 0 HA LYS A 590 -5.897 -11.486 3.031 1.00 3.13 H new ATOM 0 HB2 LYS A 590 -3.307 -11.407 4.631 1.00 51.04 H new ATOM 0 HB3 LYS A 590 -3.787 -12.722 3.577 1.00 51.04 H new ATOM 0 HG2 LYS A 590 -3.600 -9.904 2.504 1.00 71.43 H new ATOM 0 HG3 LYS A 590 -2.156 -10.881 2.687 1.00 71.43 H new ATOM 0 HD2 LYS A 590 -4.550 -12.061 1.281 1.00 50.11 H new ATOM 0 HD3 LYS A 590 -3.544 -10.911 0.423 1.00 50.11 H new ATOM 0 HE2 LYS A 590 -2.418 -12.838 -0.136 1.00 4.33 H new ATOM 0 HE3 LYS A 590 -1.568 -12.458 1.348 1.00 4.33 H new ATOM 0 HZ1 LYS A 590 -2.610 -14.817 0.919 1.00 24.44 H new ATOM 0 HZ2 LYS A 590 -2.571 -14.142 2.476 1.00 24.44 H new ATOM 0 HZ3 LYS A 590 -4.000 -14.084 1.562 1.00 24.44 H new ATOM 816 N SER A 591 -5.482 -11.878 6.294 1.00 14.11 N ATOM 817 CA SER A 591 -5.959 -12.624 7.452 1.00 32.04 C ATOM 818 C SER A 591 -7.482 -12.580 7.536 1.00 21.34 C ATOM 819 O SER A 591 -8.114 -13.520 8.019 1.00 54.13 O ATOM 820 CB SER A 591 -5.349 -12.059 8.736 1.00 31.31 C ATOM 821 OG SER A 591 -5.750 -12.815 9.866 1.00 2.33 O ATOM 0 H SER A 591 -4.795 -11.156 6.511 1.00 14.11 H new ATOM 0 HA SER A 591 -5.648 -13.663 7.338 1.00 32.04 H new ATOM 0 HB2 SER A 591 -4.262 -12.063 8.659 1.00 31.31 H new ATOM 0 HB3 SER A 591 -5.655 -11.021 8.862 1.00 31.31 H new ATOM 0 HG SER A 591 -5.346 -12.435 10.674 1.00 2.33 H new ATOM 827 N GLN A 592 -8.063 -11.483 7.064 1.00 55.01 N ATOM 828 CA GLN A 592 -9.512 -11.316 7.086 1.00 11.44 C ATOM 829 C GLN A 592 -10.187 -12.294 6.131 1.00 33.40 C ATOM 830 O GLN A 592 -11.258 -12.826 6.426 1.00 13.20 O ATOM 831 CB GLN A 592 -9.886 -9.880 6.715 1.00 75.14 C ATOM 832 CG GLN A 592 -9.973 -8.945 7.910 1.00 71.24 C ATOM 833 CD GLN A 592 -10.536 -7.585 7.547 1.00 14.13 C ATOM 834 OE1 GLN A 592 -9.854 -6.567 7.661 1.00 22.44 O ATOM 835 NE2 GLN A 592 -11.789 -7.561 7.107 1.00 21.30 N ATOM 0 H GLN A 592 -7.554 -10.696 6.662 1.00 55.01 H new ATOM 0 HA GLN A 592 -9.862 -11.525 8.097 1.00 11.44 H new ATOM 0 HB2 GLN A 592 -9.148 -9.491 6.013 1.00 75.14 H new ATOM 0 HB3 GLN A 592 -10.846 -9.885 6.198 1.00 75.14 H new ATOM 0 HG2 GLN A 592 -10.599 -9.400 8.678 1.00 71.24 H new ATOM 0 HG3 GLN A 592 -8.980 -8.820 8.341 1.00 71.24 H new ATOM 0 HE21 GLN A 592 -12.318 -8.429 7.028 1.00 21.30 H new ATOM 0 HE22 GLN A 592 -12.222 -6.674 6.848 1.00 21.30 H new ATOM 844 N HIS A 593 -9.555 -12.528 4.985 1.00 1.55 N ATOM 845 CA HIS A 593 -10.095 -13.443 3.986 1.00 13.31 C ATOM 846 C HIS A 593 -9.220 -14.685 3.857 1.00 1.12 C ATOM 847 O HIS A 593 -8.890 -15.112 2.750 1.00 34.21 O ATOM 848 CB HIS A 593 -10.211 -12.743 2.632 1.00 11.33 C ATOM 849 CG HIS A 593 -11.103 -11.539 2.655 1.00 50.35 C ATOM 850 ND1 HIS A 593 -11.253 -10.694 1.575 1.00 24.41 N ATOM 851 CD2 HIS A 593 -11.895 -11.042 3.632 1.00 22.42 C ATOM 852 CE1 HIS A 593 -12.098 -9.728 1.889 1.00 30.22 C ATOM 853 NE2 HIS A 593 -12.503 -9.917 3.132 1.00 3.43 N ATOM 0 H HIS A 593 -8.668 -12.096 4.725 1.00 1.55 H new ATOM 0 HA HIS A 593 -11.088 -13.753 4.312 1.00 13.31 H new ATOM 0 HB2 HIS A 593 -9.217 -12.442 2.301 1.00 11.33 H new ATOM 0 HB3 HIS A 593 -10.591 -13.452 1.897 1.00 11.33 H new ATOM 0 HD2 HIS A 593 -12.025 -11.454 4.622 1.00 22.42 H new ATOM 0 HE1 HIS A 593 -12.405 -8.921 1.240 1.00 30.22 H new ATOM 0 HE2 HIS A 593 -13.160 -9.324 3.638 1.00 3.43 H new ATOM 862 N LEU A 594 -8.844 -15.260 4.995 1.00 15.32 N ATOM 863 CA LEU A 594 -8.005 -16.453 5.009 1.00 73.14 C ATOM 864 C LEU A 594 -8.857 -17.717 5.060 1.00 54.31 C ATOM 865 O LEU A 594 -9.800 -17.811 5.846 1.00 43.32 O ATOM 866 CB LEU A 594 -7.054 -16.416 6.206 1.00 71.40 C ATOM 867 CG LEU A 594 -5.956 -17.481 6.223 1.00 53.45 C ATOM 868 CD1 LEU A 594 -4.796 -17.063 5.333 1.00 63.33 C ATOM 869 CD2 LEU A 594 -5.476 -17.729 7.645 1.00 31.25 C ATOM 0 H LEU A 594 -9.107 -14.919 5.920 1.00 15.32 H new ATOM 0 HA LEU A 594 -7.421 -16.468 4.089 1.00 73.14 H new ATOM 0 HB2 LEU A 594 -6.581 -15.434 6.239 1.00 71.40 H new ATOM 0 HB3 LEU A 594 -7.644 -16.516 7.117 1.00 71.40 H new ATOM 0 HG LEU A 594 -6.371 -18.411 5.834 1.00 53.45 H new ATOM 0 HD11 LEU A 594 -4.024 -17.832 5.357 1.00 63.33 H new ATOM 0 HD12 LEU A 594 -5.150 -16.936 4.310 1.00 63.33 H new ATOM 0 HD13 LEU A 594 -4.382 -16.121 5.694 1.00 63.33 H new ATOM 0 HD21 LEU A 594 -4.695 -18.489 7.638 1.00 31.25 H new ATOM 0 HD22 LEU A 594 -5.078 -16.804 8.061 1.00 31.25 H new ATOM 0 HD23 LEU A 594 -6.311 -18.072 8.256 1.00 31.25 H new ATOM 881 N SER A 595 -8.518 -18.687 4.218 1.00 61.52 N ATOM 882 CA SER A 595 -9.253 -19.946 4.165 1.00 12.33 C ATOM 883 C SER A 595 -8.627 -20.980 5.096 1.00 52.31 C ATOM 884 O SER A 595 -7.407 -21.133 5.138 1.00 71.25 O ATOM 885 CB SER A 595 -9.283 -20.483 2.734 1.00 62.45 C ATOM 886 OG SER A 595 -10.432 -21.283 2.513 1.00 25.22 O ATOM 0 H SER A 595 -7.739 -18.626 3.563 1.00 61.52 H new ATOM 0 HA SER A 595 -10.274 -19.757 4.496 1.00 12.33 H new ATOM 0 HB2 SER A 595 -9.274 -19.651 2.030 1.00 62.45 H new ATOM 0 HB3 SER A 595 -8.385 -21.071 2.544 1.00 62.45 H new ATOM 0 HG SER A 595 -10.428 -21.613 1.590 1.00 25.22 H new ATOM 892 N GLU A 596 -9.473 -21.685 5.841 1.00 44.13 N ATOM 893 CA GLU A 596 -9.002 -22.703 6.773 1.00 72.35 C ATOM 894 C GLU A 596 -10.117 -23.689 7.109 1.00 63.20 C ATOM 895 O GLU A 596 -11.217 -23.607 6.563 1.00 34.04 O ATOM 896 CB GLU A 596 -8.478 -22.052 8.054 1.00 35.21 C ATOM 897 CG GLU A 596 -9.549 -21.325 8.848 1.00 34.33 C ATOM 898 CD GLU A 596 -10.261 -22.232 9.834 1.00 41.44 C ATOM 899 OE1 GLU A 596 -9.720 -22.446 10.940 1.00 72.02 O ATOM 900 OE2 GLU A 596 -11.358 -22.728 9.500 1.00 63.14 O ATOM 0 H GLU A 596 -10.486 -21.570 5.817 1.00 44.13 H new ATOM 0 HA GLU A 596 -8.189 -23.249 6.294 1.00 72.35 H new ATOM 0 HB2 GLU A 596 -8.028 -22.819 8.684 1.00 35.21 H new ATOM 0 HB3 GLU A 596 -7.687 -21.347 7.796 1.00 35.21 H new ATOM 0 HG2 GLU A 596 -9.095 -20.494 9.387 1.00 34.33 H new ATOM 0 HG3 GLU A 596 -10.279 -20.898 8.160 1.00 34.33 H new TER 908 GLU A 596