USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot 160:sc= 0.869 USER MOD Set 1.2: A 61 SER OG : rot -177:sc= 0.573 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 1.27 (180deg=-0.0711) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.135 K(o=0.14,f=-11!) USER MOD Single : A 18 THR OG1 : rot 88:sc= 0.252 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0.994 (180deg=0.991) USER MOD Single : A 26 GLN : amide:sc= 0.595 K(o=0.59,f=-6.7!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.977) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 0.426 (180deg=0.326) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.54) USER MOD Single : A 68 ASN : amide:sc= 0.778 K(o=0.78,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.374 -16.714 -1.757 1.00 0.00 N ATOM 2 CA GLY A 1 4.003 -15.405 -2.267 1.00 0.00 C ATOM 3 C GLY A 1 4.138 -14.336 -1.182 1.00 0.00 C ATOM 4 O GLY A 1 3.138 -13.817 -0.688 1.00 0.00 O ATOM 0 H1 GLY A 1 5.013 -17.181 -2.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.855 -16.606 -0.841 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.519 -17.293 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.637 -15.149 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.976 -15.430 -2.632 1.00 0.00 H new ATOM 5 N GLU A 2 5.384 -14.037 -0.842 1.00 0.00 N ATOM 6 CA GLU A 2 5.662 -13.070 0.206 1.00 0.00 C ATOM 7 C GLU A 2 5.592 -11.646 -0.353 1.00 0.00 C ATOM 8 O GLU A 2 6.556 -11.159 -0.939 1.00 0.00 O ATOM 9 CB GLU A 2 7.021 -13.339 0.854 1.00 0.00 C ATOM 10 CG GLU A 2 6.974 -14.592 1.729 1.00 0.00 C ATOM 11 CD GLU A 2 6.848 -15.854 0.874 1.00 0.00 C ATOM 12 OE1 GLU A 2 7.866 -16.402 0.423 1.00 0.00 O ATOM 13 OE2 GLU A 2 5.641 -16.266 0.682 1.00 0.00 O ATOM 0 H GLU A 2 6.212 -14.448 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 2 4.901 -13.173 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.779 -13.460 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.316 -12.481 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.877 -14.649 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.130 -14.528 2.416 1.00 0.00 H new ATOM 14 N GLU A 3 4.441 -11.021 -0.150 1.00 0.00 N ATOM 15 CA GLU A 3 4.224 -9.675 -0.650 1.00 0.00 C ATOM 16 C GLU A 3 4.478 -9.621 -2.158 1.00 0.00 C ATOM 17 O GLU A 3 5.348 -8.883 -2.618 1.00 0.00 O ATOM 18 CB GLU A 3 5.105 -8.666 0.091 1.00 0.00 C ATOM 19 CG GLU A 3 4.808 -8.678 1.592 1.00 0.00 C ATOM 20 CD GLU A 3 5.615 -9.766 2.301 1.00 0.00 C ATOM 21 OE1 GLU A 3 6.871 -9.509 2.443 1.00 0.00 O ATOM 22 OE2 GLU A 3 5.052 -10.801 2.690 1.00 0.00 O ATOM 0 H GLU A 3 3.650 -11.422 0.354 1.00 0.00 H new ATOM 0 HA GLU A 3 3.184 -9.404 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.156 -8.902 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.935 -7.666 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.047 -7.705 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.743 -8.846 1.754 1.00 0.00 H new ATOM 23 N CYS A 4 3.702 -10.411 -2.884 1.00 0.00 N ATOM 24 CA CYS A 4 3.832 -10.463 -4.331 1.00 0.00 C ATOM 25 C CYS A 4 2.453 -10.220 -4.946 1.00 0.00 C ATOM 26 O CYS A 4 1.442 -10.676 -4.414 1.00 0.00 O ATOM 27 CB CYS A 4 4.439 -11.787 -4.798 1.00 0.00 C ATOM 28 SG CYS A 4 5.973 -12.277 -3.927 1.00 0.00 S ATOM 0 H CYS A 4 2.981 -11.021 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 4 4.520 -9.686 -4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.698 -12.576 -4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.650 -11.718 -5.865 1.00 0.00 H new ATOM 29 N ASP A 5 2.454 -9.502 -6.059 1.00 0.00 N ATOM 30 CA ASP A 5 1.214 -9.181 -6.745 1.00 0.00 C ATOM 31 C ASP A 5 1.304 -9.648 -8.200 1.00 0.00 C ATOM 32 O ASP A 5 0.760 -9.006 -9.096 1.00 0.00 O ATOM 33 CB ASP A 5 0.962 -7.671 -6.748 1.00 0.00 C ATOM 34 CG ASP A 5 -0.459 -7.255 -7.135 1.00 0.00 C ATOM 35 OD1 ASP A 5 -1.267 -8.230 -7.374 1.00 0.00 O ATOM 36 OD2 ASP A 5 -0.776 -6.058 -7.205 1.00 0.00 O ATOM 0 H ASP A 5 3.295 -9.133 -6.503 1.00 0.00 H new ATOM 0 HA ASP A 5 0.400 -9.682 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.182 -7.279 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.663 -7.202 -7.438 1.00 0.00 H new ATOM 37 N CYS A 6 1.995 -10.762 -8.387 1.00 0.00 N ATOM 38 CA CYS A 6 2.101 -11.364 -9.706 1.00 0.00 C ATOM 39 C CYS A 6 1.910 -12.875 -9.561 1.00 0.00 C ATOM 40 O CYS A 6 0.796 -13.380 -9.702 1.00 0.00 O ATOM 41 CB CYS A 6 3.430 -11.019 -10.381 1.00 0.00 C ATOM 42 SG CYS A 6 4.800 -10.638 -9.229 1.00 0.00 S ATOM 0 H CYS A 6 2.487 -11.264 -7.648 1.00 0.00 H new ATOM 0 HA CYS A 6 1.324 -10.961 -10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.728 -11.855 -11.014 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.277 -10.162 -11.037 1.00 0.00 H new ATOM 43 N GLY A 7 3.011 -13.555 -9.281 1.00 0.00 N ATOM 44 CA GLY A 7 2.975 -14.995 -9.094 1.00 0.00 C ATOM 45 C GLY A 7 4.290 -15.639 -9.541 1.00 0.00 C ATOM 46 O GLY A 7 4.943 -16.329 -8.761 1.00 0.00 O ATOM 0 H GLY A 7 3.935 -13.135 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.792 -15.225 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.147 -15.419 -9.662 1.00 0.00 H new ATOM 47 N SER A 8 4.638 -15.390 -10.795 1.00 0.00 N ATOM 48 CA SER A 8 5.827 -15.990 -11.374 1.00 0.00 C ATOM 49 C SER A 8 7.053 -15.130 -11.063 1.00 0.00 C ATOM 50 O SER A 8 6.955 -13.906 -10.991 1.00 0.00 O ATOM 51 CB SER A 8 5.674 -16.168 -12.887 1.00 0.00 C ATOM 52 OG SER A 8 4.653 -17.109 -13.212 1.00 0.00 O ATOM 0 H SER A 8 4.117 -14.781 -11.426 1.00 0.00 H new ATOM 0 HA SER A 8 5.961 -16.977 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.440 -15.206 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.622 -16.500 -13.311 1.00 0.00 H new ATOM 0 HG SER A 8 4.584 -17.194 -14.186 1.00 0.00 H new ATOM 53 N PRO A 9 8.210 -15.822 -10.883 1.00 0.00 N ATOM 54 CA PRO A 9 9.465 -15.130 -10.639 1.00 0.00 C ATOM 55 C PRO A 9 10.002 -14.500 -11.926 1.00 0.00 C ATOM 56 O PRO A 9 10.483 -13.368 -11.912 1.00 0.00 O ATOM 57 CB PRO A 9 10.392 -16.188 -10.063 1.00 0.00 C ATOM 58 CG PRO A 9 9.778 -17.528 -10.438 1.00 0.00 C ATOM 59 CD PRO A 9 8.354 -17.274 -10.905 1.00 0.00 C ATOM 0 HA PRO A 9 9.358 -14.295 -9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.398 -16.091 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.477 -16.086 -8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.359 -18.007 -11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.784 -18.204 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.188 -17.673 -11.906 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.630 -17.754 -10.247 1.00 0.00 H new ATOM 60 N SER A 10 9.903 -15.261 -13.006 1.00 0.00 N ATOM 61 CA SER A 10 10.470 -14.836 -14.274 1.00 0.00 C ATOM 62 C SER A 10 9.440 -14.026 -15.063 1.00 0.00 C ATOM 63 O SER A 10 9.340 -14.161 -16.281 1.00 0.00 O ATOM 64 CB SER A 10 10.942 -16.038 -15.096 1.00 0.00 C ATOM 65 OG SER A 10 9.889 -16.966 -15.338 1.00 0.00 O ATOM 0 H SER A 10 9.439 -16.169 -13.029 1.00 0.00 H new ATOM 0 HA SER A 10 11.336 -14.207 -14.068 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.345 -15.691 -16.047 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.754 -16.540 -14.570 1.00 0.00 H new ATOM 0 HG SER A 10 10.230 -17.717 -15.867 1.00 0.00 H new ATOM 66 N ASN A 11 8.700 -13.202 -14.336 1.00 0.00 N ATOM 67 CA ASN A 11 7.773 -12.276 -14.964 1.00 0.00 C ATOM 68 C ASN A 11 8.452 -10.914 -15.125 1.00 0.00 C ATOM 69 O ASN A 11 8.772 -10.255 -14.137 1.00 0.00 O ATOM 70 CB ASN A 11 6.521 -12.082 -14.106 1.00 0.00 C ATOM 71 CG ASN A 11 5.431 -11.344 -14.885 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.668 -10.757 -15.929 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.228 -11.405 -14.323 1.00 0.00 N ATOM 0 H ASN A 11 8.724 -13.156 -13.317 1.00 0.00 H new ATOM 0 HA ASN A 11 7.486 -12.689 -15.931 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.146 -13.052 -13.779 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.775 -11.519 -13.208 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.434 -10.943 -14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.099 -11.913 -13.448 1.00 0.00 H new ATOM 74 N PRO A 12 8.654 -10.521 -16.411 1.00 0.00 N ATOM 75 CA PRO A 12 9.348 -9.281 -16.715 1.00 0.00 C ATOM 76 C PRO A 12 8.450 -8.071 -16.449 1.00 0.00 C ATOM 77 O PRO A 12 8.924 -6.936 -16.420 1.00 0.00 O ATOM 78 CB PRO A 12 9.759 -9.407 -18.172 1.00 0.00 C ATOM 79 CG PRO A 12 8.883 -10.502 -18.760 1.00 0.00 C ATOM 80 CD PRO A 12 8.227 -11.244 -17.606 1.00 0.00 C ATOM 0 HA PRO A 12 10.221 -9.121 -16.082 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.615 -8.465 -18.701 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.815 -9.663 -18.259 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.127 -10.074 -19.418 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.480 -11.186 -19.363 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.141 -11.245 -17.702 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.545 -12.286 -17.573 1.00 0.00 H new ATOM 81 N CYS A 13 7.169 -8.354 -16.263 1.00 0.00 N ATOM 82 CA CYS A 13 6.210 -7.308 -15.949 1.00 0.00 C ATOM 83 C CYS A 13 6.285 -7.021 -14.449 1.00 0.00 C ATOM 84 O CYS A 13 5.999 -5.908 -14.011 1.00 0.00 O ATOM 85 CB CYS A 13 4.794 -7.691 -16.387 1.00 0.00 C ATOM 86 SG CYS A 13 4.609 -8.028 -18.175 1.00 0.00 S ATOM 0 H CYS A 13 6.773 -9.292 -16.324 1.00 0.00 H new ATOM 0 HA CYS A 13 6.460 -6.403 -16.503 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.484 -8.576 -15.831 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.113 -6.886 -16.111 1.00 0.00 H new ATOM 87 N CYS A 14 6.672 -8.044 -13.702 1.00 0.00 N ATOM 88 CA CYS A 14 6.750 -7.928 -12.256 1.00 0.00 C ATOM 89 C CYS A 14 8.206 -7.662 -11.872 1.00 0.00 C ATOM 90 O CYS A 14 9.124 -8.076 -12.578 1.00 0.00 O ATOM 91 CB CYS A 14 6.194 -9.171 -11.558 1.00 0.00 C ATOM 92 SG CYS A 14 5.597 -8.891 -9.850 1.00 0.00 S ATOM 0 H CYS A 14 6.935 -8.958 -14.071 1.00 0.00 H new ATOM 0 HA CYS A 14 6.130 -7.096 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.373 -9.568 -12.154 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.971 -9.936 -11.536 1.00 0.00 H new ATOM 93 N ASP A 15 8.374 -6.971 -10.754 1.00 0.00 N ATOM 94 CA ASP A 15 9.699 -6.761 -10.196 1.00 0.00 C ATOM 95 C ASP A 15 10.120 -8.005 -9.411 1.00 0.00 C ATOM 96 O ASP A 15 9.442 -8.408 -8.467 1.00 0.00 O ATOM 97 CB ASP A 15 9.709 -5.570 -9.234 1.00 0.00 C ATOM 98 CG ASP A 15 11.098 -5.030 -8.889 1.00 0.00 C ATOM 99 OD1 ASP A 15 11.638 -4.293 -9.801 1.00 0.00 O ATOM 100 OD2 ASP A 15 11.637 -5.298 -7.805 1.00 0.00 O ATOM 0 H ASP A 15 7.614 -6.549 -10.220 1.00 0.00 H new ATOM 0 HA ASP A 15 10.385 -6.565 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.120 -4.764 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.210 -5.864 -8.310 1.00 0.00 H new ATOM 101 N ALA A 16 11.238 -8.579 -9.830 1.00 0.00 N ATOM 102 CA ALA A 16 11.674 -9.854 -9.285 1.00 0.00 C ATOM 103 C ALA A 16 12.286 -9.628 -7.901 1.00 0.00 C ATOM 104 O ALA A 16 12.222 -10.504 -7.040 1.00 0.00 O ATOM 105 CB ALA A 16 12.657 -10.515 -10.255 1.00 0.00 C ATOM 0 H ALA A 16 11.855 -8.185 -10.540 1.00 0.00 H new ATOM 0 HA ALA A 16 10.828 -10.531 -9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.984 -11.471 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.167 -10.679 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.521 -9.866 -10.396 1.00 0.00 H new ATOM 106 N ALA A 17 12.865 -8.449 -7.729 1.00 0.00 N ATOM 107 CA ALA A 17 13.559 -8.128 -6.494 1.00 0.00 C ATOM 108 C ALA A 17 12.539 -7.995 -5.361 1.00 0.00 C ATOM 109 O ALA A 17 12.699 -8.601 -4.303 1.00 0.00 O ATOM 110 CB ALA A 17 14.385 -6.855 -6.687 1.00 0.00 C ATOM 0 H ALA A 17 12.868 -7.704 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 17 14.250 -8.926 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.905 -6.615 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.114 -7.011 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.725 -6.030 -6.957 1.00 0.00 H new ATOM 111 N THR A 18 11.513 -7.198 -5.622 1.00 0.00 N ATOM 112 CA THR A 18 10.480 -6.959 -4.629 1.00 0.00 C ATOM 113 C THR A 18 9.381 -8.018 -4.737 1.00 0.00 C ATOM 114 O THR A 18 8.596 -8.200 -3.807 1.00 0.00 O ATOM 115 CB THR A 18 9.966 -5.530 -4.816 1.00 0.00 C ATOM 116 OG1 THR A 18 11.149 -4.738 -4.856 1.00 0.00 O ATOM 117 CG2 THR A 18 9.212 -5.013 -3.590 1.00 0.00 C ATOM 0 H THR A 18 11.375 -6.710 -6.507 1.00 0.00 H new ATOM 0 HA THR A 18 10.876 -7.048 -3.617 1.00 0.00 H new ATOM 0 HB THR A 18 9.311 -5.491 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.481 -4.693 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.869 -3.995 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.353 -5.655 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.875 -5.020 -2.725 1.00 0.00 H new ATOM 118 N CYS A 19 9.360 -8.689 -5.879 1.00 0.00 N ATOM 119 CA CYS A 19 8.381 -9.736 -6.115 1.00 0.00 C ATOM 120 C CYS A 19 7.008 -9.080 -6.285 1.00 0.00 C ATOM 121 O CYS A 19 5.991 -9.770 -6.348 1.00 0.00 O ATOM 122 CB CYS A 19 8.381 -10.774 -4.991 1.00 0.00 C ATOM 123 SG CYS A 19 7.423 -12.293 -5.348 1.00 0.00 S ATOM 0 H CYS A 19 10.006 -8.528 -6.652 1.00 0.00 H new ATOM 0 HA CYS A 19 8.639 -10.280 -7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.412 -11.054 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.980 -10.312 -4.089 1.00 0.00 H new ATOM 124 N LYS A 20 7.024 -7.758 -6.355 1.00 0.00 N ATOM 125 CA LYS A 20 5.788 -6.996 -6.410 1.00 0.00 C ATOM 126 C LYS A 20 5.836 -6.040 -7.603 1.00 0.00 C ATOM 127 O LYS A 20 6.832 -5.348 -7.810 1.00 0.00 O ATOM 128 CB LYS A 20 5.530 -6.298 -5.072 1.00 0.00 C ATOM 129 CG LYS A 20 4.082 -5.811 -4.979 1.00 0.00 C ATOM 130 CD LYS A 20 3.985 -4.318 -5.301 1.00 0.00 C ATOM 131 CE LYS A 20 2.545 -3.923 -5.637 1.00 0.00 C ATOM 132 NZ LYS A 20 2.505 -2.569 -6.232 1.00 0.00 N ATOM 0 H LYS A 20 7.874 -7.194 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 20 4.938 -7.659 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.740 -6.985 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.210 -5.453 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.459 -6.377 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.696 -5.997 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.337 -3.735 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.637 -4.080 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.116 -4.645 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.935 -3.948 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.525 -2.330 -6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.864 -1.877 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.098 -2.547 -7.086 1.00 0.00 H new ATOM 133 N LEU A 21 4.747 -6.033 -8.359 1.00 0.00 N ATOM 134 CA LEU A 21 4.692 -5.258 -9.585 1.00 0.00 C ATOM 135 C LEU A 21 4.886 -3.776 -9.256 1.00 0.00 C ATOM 136 O LEU A 21 4.266 -3.256 -8.329 1.00 0.00 O ATOM 137 CB LEU A 21 3.400 -5.554 -10.350 1.00 0.00 C ATOM 138 CG LEU A 21 2.145 -4.840 -9.845 1.00 0.00 C ATOM 139 CD1 LEU A 21 1.957 -3.495 -10.552 1.00 0.00 C ATOM 140 CD2 LEU A 21 0.911 -5.735 -9.983 1.00 0.00 C ATOM 0 H LEU A 21 3.896 -6.553 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 21 5.503 -5.546 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.551 -5.286 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.220 -6.629 -10.319 1.00 0.00 H new ATOM 0 HG LEU A 21 2.276 -4.632 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.058 -3.008 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.821 -2.859 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.858 -3.659 -11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.033 -5.203 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.766 -5.996 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.054 -6.644 -9.399 1.00 0.00 H new ATOM 141 N ARG A 22 5.749 -3.137 -10.033 1.00 0.00 N ATOM 142 CA ARG A 22 6.071 -1.740 -9.803 1.00 0.00 C ATOM 143 C ARG A 22 5.050 -0.838 -10.500 1.00 0.00 C ATOM 144 O ARG A 22 4.314 -1.289 -11.375 1.00 0.00 O ATOM 145 CB ARG A 22 7.472 -1.405 -10.319 1.00 0.00 C ATOM 146 CG ARG A 22 8.512 -1.531 -9.204 1.00 0.00 C ATOM 147 CD ARG A 22 9.912 -1.185 -9.718 1.00 0.00 C ATOM 148 NE ARG A 22 10.937 -1.823 -8.861 1.00 0.00 N ATOM 149 CZ ARG A 22 11.128 -1.523 -7.570 1.00 0.00 C ATOM 150 NH1 ARG A 22 10.620 -0.392 -7.061 1.00 0.00 N ATOM 151 NH2 ARG A 22 11.828 -2.353 -6.786 1.00 0.00 N ATOM 0 H ARG A 22 6.235 -3.562 -10.823 1.00 0.00 H new ATOM 0 HA ARG A 22 6.041 -1.566 -8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.731 -2.074 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.483 -0.391 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.249 -0.868 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.506 -2.547 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.025 -1.524 -10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.050 -0.104 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 22 11.535 -2.535 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.087 0.241 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.766 -0.165 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.216 -3.214 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.973 -2.124 -5.803 1.00 0.00 H new ATOM 152 N PRO A 23 5.037 0.454 -10.073 1.00 0.00 N ATOM 153 CA PRO A 23 4.104 1.417 -10.631 1.00 0.00 C ATOM 154 C PRO A 23 4.534 1.848 -12.035 1.00 0.00 C ATOM 155 O PRO A 23 5.618 2.401 -12.213 1.00 0.00 O ATOM 156 CB PRO A 23 4.085 2.566 -9.636 1.00 0.00 C ATOM 157 CG PRO A 23 5.347 2.418 -8.803 1.00 0.00 C ATOM 158 CD PRO A 23 5.910 1.028 -9.054 1.00 0.00 C ATOM 0 HA PRO A 23 3.103 1.006 -10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.067 3.527 -10.150 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.195 2.524 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.076 3.181 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.124 2.554 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.943 1.075 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.904 0.428 -8.144 1.00 0.00 H new ATOM 159 N GLY A 24 3.662 1.577 -12.995 1.00 0.00 N ATOM 160 CA GLY A 24 4.010 1.759 -14.394 1.00 0.00 C ATOM 161 C GLY A 24 3.196 0.819 -15.287 1.00 0.00 C ATOM 162 O GLY A 24 2.824 1.184 -16.401 1.00 0.00 O ATOM 0 H GLY A 24 2.716 1.233 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.828 2.793 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.074 1.570 -14.536 1.00 0.00 H new ATOM 163 N ALA A 25 2.944 -0.372 -14.764 1.00 0.00 N ATOM 164 CA ALA A 25 2.063 -1.312 -15.436 1.00 0.00 C ATOM 165 C ALA A 25 0.696 -1.304 -14.749 1.00 0.00 C ATOM 166 O ALA A 25 0.584 -0.925 -13.584 1.00 0.00 O ATOM 167 CB ALA A 25 2.705 -2.700 -15.438 1.00 0.00 C ATOM 0 H ALA A 25 3.334 -0.707 -13.883 1.00 0.00 H new ATOM 0 HA ALA A 25 1.912 -1.020 -16.475 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.045 -3.406 -15.942 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.660 -2.659 -15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.869 -3.027 -14.411 1.00 0.00 H new ATOM 168 N GLN A 26 -0.311 -1.726 -15.499 1.00 0.00 N ATOM 169 CA GLN A 26 -1.654 -1.836 -14.957 1.00 0.00 C ATOM 170 C GLN A 26 -1.823 -3.169 -14.225 1.00 0.00 C ATOM 171 O GLN A 26 -2.616 -3.271 -13.290 1.00 0.00 O ATOM 172 CB GLN A 26 -2.704 -1.679 -16.058 1.00 0.00 C ATOM 173 CG GLN A 26 -3.180 -0.228 -16.159 1.00 0.00 C ATOM 174 CD GLN A 26 -2.026 0.703 -16.532 1.00 0.00 C ATOM 175 OE1 GLN A 26 -1.190 0.395 -17.365 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.026 1.857 -15.871 1.00 0.00 N ATOM 0 H GLN A 26 -0.223 -1.996 -16.479 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.803 -1.028 -14.240 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.285 -1.995 -17.013 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.553 -2.330 -15.851 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.969 -0.152 -16.907 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.611 0.084 -15.208 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.756 2.052 -15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.296 2.547 -16.049 1.00 0.00 H new ATOM 177 N CYS A 27 -1.065 -4.157 -14.677 1.00 0.00 N ATOM 178 CA CYS A 27 -1.048 -5.451 -14.015 1.00 0.00 C ATOM 179 C CYS A 27 0.167 -6.232 -14.520 1.00 0.00 C ATOM 180 O CYS A 27 0.761 -5.875 -15.537 1.00 0.00 O ATOM 181 CB CYS A 27 -2.352 -6.217 -14.236 1.00 0.00 C ATOM 182 SG CYS A 27 -2.929 -6.267 -15.972 1.00 0.00 S ATOM 0 H CYS A 27 -0.458 -4.088 -15.494 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.966 -5.310 -12.937 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.221 -7.240 -13.882 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.131 -5.765 -13.622 1.00 0.00 H new ATOM 183 N ALA A 28 0.500 -7.284 -13.787 1.00 0.00 N ATOM 184 CA ALA A 28 1.674 -8.078 -14.107 1.00 0.00 C ATOM 185 C ALA A 28 1.239 -9.356 -14.828 1.00 0.00 C ATOM 186 O ALA A 28 1.820 -9.726 -15.847 1.00 0.00 O ATOM 187 CB ALA A 28 2.459 -8.369 -12.827 1.00 0.00 C ATOM 0 H ALA A 28 -0.023 -7.605 -12.972 1.00 0.00 H new ATOM 0 HA ALA A 28 2.336 -7.530 -14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.340 -8.965 -13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.770 -7.430 -12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.827 -8.920 -12.130 1.00 0.00 H new ATOM 188 N ASP A 29 0.221 -9.994 -14.269 1.00 0.00 N ATOM 189 CA ASP A 29 -0.252 -11.260 -14.803 1.00 0.00 C ATOM 190 C ASP A 29 -1.756 -11.383 -14.557 1.00 0.00 C ATOM 191 O ASP A 29 -2.314 -10.664 -13.730 1.00 0.00 O ATOM 192 CB ASP A 29 0.438 -12.440 -14.114 1.00 0.00 C ATOM 193 CG ASP A 29 0.038 -12.661 -12.655 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.331 -11.714 -11.943 1.00 0.00 O ATOM 195 OD2 ASP A 29 0.117 -13.881 -12.245 1.00 0.00 O ATOM 0 H ASP A 29 -0.289 -9.658 -13.452 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.026 -11.282 -15.869 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.219 -13.348 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.516 -12.288 -14.160 1.00 0.00 H new ATOM 196 N GLY A 30 -2.371 -12.299 -15.291 1.00 0.00 N ATOM 197 CA GLY A 30 -3.792 -12.557 -15.130 1.00 0.00 C ATOM 198 C GLY A 30 -4.406 -13.074 -16.433 1.00 0.00 C ATOM 199 O GLY A 30 -3.727 -13.147 -17.456 1.00 0.00 O ATOM 0 H GLY A 30 -1.911 -12.872 -15.999 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.945 -13.288 -14.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.299 -11.642 -14.823 1.00 0.00 H new ATOM 200 N LEU A 31 -5.682 -13.420 -16.352 1.00 0.00 N ATOM 201 CA LEU A 31 -6.398 -13.918 -17.514 1.00 0.00 C ATOM 202 C LEU A 31 -6.848 -12.737 -18.375 1.00 0.00 C ATOM 203 O LEU A 31 -7.009 -12.874 -19.588 1.00 0.00 O ATOM 204 CB LEU A 31 -7.542 -14.838 -17.084 1.00 0.00 C ATOM 205 CG LEU A 31 -7.158 -16.284 -16.765 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.130 -16.901 -15.759 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.051 -17.118 -18.044 1.00 0.00 C ATOM 0 H LEU A 31 -6.239 -13.365 -15.499 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.742 -14.531 -18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.017 -14.407 -16.203 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.290 -14.848 -17.876 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.173 -16.280 -16.299 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.834 -17.929 -15.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.112 -16.323 -14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.138 -16.891 -16.174 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.777 -18.142 -17.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.011 -17.117 -18.560 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.289 -16.690 -18.695 1.00 0.00 H new ATOM 208 N CYS A 32 -7.039 -11.604 -17.717 1.00 0.00 N ATOM 209 CA CYS A 32 -7.430 -10.391 -18.413 1.00 0.00 C ATOM 210 C CYS A 32 -6.271 -9.395 -18.332 1.00 0.00 C ATOM 211 O CYS A 32 -6.489 -8.190 -18.227 1.00 0.00 O ATOM 212 CB CYS A 32 -8.725 -9.805 -17.844 1.00 0.00 C ATOM 213 SG CYS A 32 -10.205 -10.857 -18.067 1.00 0.00 S ATOM 0 H CYS A 32 -6.930 -11.500 -16.708 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.639 -10.620 -19.458 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.586 -9.619 -16.779 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.908 -8.839 -18.315 1.00 0.00 H new ATOM 214 N CYS A 33 -5.063 -9.938 -18.385 1.00 0.00 N ATOM 215 CA CYS A 33 -3.869 -9.114 -18.306 1.00 0.00 C ATOM 216 C CYS A 33 -2.843 -9.659 -19.302 1.00 0.00 C ATOM 217 O CYS A 33 -2.559 -10.856 -19.315 1.00 0.00 O ATOM 218 CB CYS A 33 -3.310 -9.063 -16.883 1.00 0.00 C ATOM 219 SG CYS A 33 -1.882 -7.941 -16.658 1.00 0.00 S ATOM 0 H CYS A 33 -4.886 -10.938 -18.482 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.117 -8.085 -18.566 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.106 -8.754 -16.206 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.013 -10.069 -16.588 1.00 0.00 H new ATOM 220 N ASP A 34 -2.315 -8.754 -20.114 1.00 0.00 N ATOM 221 CA ASP A 34 -1.305 -9.123 -21.091 1.00 0.00 C ATOM 222 C ASP A 34 -0.324 -7.961 -21.266 1.00 0.00 C ATOM 223 O ASP A 34 -0.622 -6.829 -20.888 1.00 0.00 O ATOM 224 CB ASP A 34 -1.937 -9.418 -22.452 1.00 0.00 C ATOM 225 CG ASP A 34 -1.174 -10.427 -23.313 1.00 0.00 C ATOM 226 OD1 ASP A 34 -0.063 -10.149 -23.789 1.00 0.00 O ATOM 227 OD2 ASP A 34 -1.773 -11.555 -23.491 1.00 0.00 O ATOM 0 H ASP A 34 -2.568 -7.766 -20.115 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.796 -10.016 -20.730 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.949 -9.790 -22.293 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.025 -8.483 -23.006 1.00 0.00 H new ATOM 228 N GLN A 35 0.826 -8.283 -21.840 1.00 0.00 N ATOM 229 CA GLN A 35 1.851 -7.280 -22.075 1.00 0.00 C ATOM 230 C GLN A 35 1.814 -6.216 -20.976 1.00 0.00 C ATOM 231 O GLN A 35 1.687 -5.026 -21.262 1.00 0.00 O ATOM 232 CB GLN A 35 1.690 -6.645 -23.458 1.00 0.00 C ATOM 233 CG GLN A 35 0.218 -6.363 -23.764 1.00 0.00 C ATOM 234 CD GLN A 35 0.077 -5.416 -24.957 1.00 0.00 C ATOM 235 OE1 GLN A 35 0.959 -5.291 -25.791 1.00 0.00 O ATOM 236 NE2 GLN A 35 -1.078 -4.757 -24.992 1.00 0.00 N ATOM 0 H GLN A 35 1.071 -9.224 -22.149 1.00 0.00 H new ATOM 0 HA GLN A 35 2.824 -7.770 -22.047 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.259 -5.716 -23.504 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.102 -7.310 -24.217 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.299 -7.299 -23.975 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.261 -5.925 -22.889 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.774 -4.908 -24.262 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.268 -4.100 -25.749 1.00 0.00 H new ATOM 237 N CYS A 36 1.928 -6.683 -19.741 1.00 0.00 N ATOM 238 CA CYS A 36 2.135 -5.784 -18.618 1.00 0.00 C ATOM 239 C CYS A 36 1.023 -4.733 -18.632 1.00 0.00 C ATOM 240 O CYS A 36 1.273 -3.556 -18.378 1.00 0.00 O ATOM 241 CB CYS A 36 3.524 -5.145 -18.653 1.00 0.00 C ATOM 242 SG CYS A 36 4.882 -6.286 -19.104 1.00 0.00 S ATOM 0 H CYS A 36 1.881 -7.671 -19.494 1.00 0.00 H new ATOM 0 HA CYS A 36 2.090 -6.347 -17.686 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.511 -4.319 -19.364 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.737 -4.718 -17.673 1.00 0.00 H new ATOM 243 N ARG A 37 -0.183 -5.197 -18.930 1.00 0.00 N ATOM 244 CA ARG A 37 -1.338 -4.317 -18.955 1.00 0.00 C ATOM 245 C ARG A 37 -2.622 -5.131 -19.127 1.00 0.00 C ATOM 246 O ARG A 37 -2.596 -6.359 -19.057 1.00 0.00 O ATOM 247 CB ARG A 37 -1.231 -3.301 -20.095 1.00 0.00 C ATOM 248 CG ARG A 37 -1.134 -1.875 -19.551 1.00 0.00 C ATOM 249 CD ARG A 37 -0.445 -0.950 -20.555 1.00 0.00 C ATOM 250 NE ARG A 37 1.022 -1.149 -20.503 1.00 0.00 N ATOM 251 CZ ARG A 37 1.831 -0.537 -19.629 1.00 0.00 C ATOM 252 NH1 ARG A 37 1.315 0.233 -18.662 1.00 0.00 N ATOM 253 NH2 ARG A 37 3.159 -0.696 -19.721 1.00 0.00 N ATOM 0 H ARG A 37 -0.384 -6.171 -19.156 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.367 -3.781 -18.006 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.354 -3.522 -20.703 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.101 -3.387 -20.746 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.132 -1.498 -19.330 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.579 -1.877 -18.613 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.812 -1.153 -21.561 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.688 0.089 -20.331 1.00 0.00 H new ATOM 0 HE ARG A 37 1.442 -1.792 -21.174 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.305 0.354 -18.591 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.932 0.699 -17.997 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.553 -1.283 -20.457 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.776 -0.230 -19.056 1.00 0.00 H new ATOM 254 N PHE A 38 -3.714 -4.414 -19.346 1.00 0.00 N ATOM 255 CA PHE A 38 -4.996 -5.056 -19.583 1.00 0.00 C ATOM 256 C PHE A 38 -5.146 -5.453 -21.053 1.00 0.00 C ATOM 257 O PHE A 38 -4.705 -4.728 -21.944 1.00 0.00 O ATOM 258 CB PHE A 38 -6.080 -4.038 -19.228 1.00 0.00 C ATOM 259 CG PHE A 38 -6.164 -3.714 -17.735 1.00 0.00 C ATOM 260 CD1 PHE A 38 -6.184 -4.721 -16.821 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.221 -2.419 -17.322 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.262 -4.421 -15.436 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.300 -2.119 -15.936 1.00 0.00 C ATOM 264 CZ PHE A 38 -6.319 -3.126 -15.022 1.00 0.00 C ATOM 0 H PHE A 38 -3.738 -3.394 -19.364 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.076 -5.960 -18.980 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.893 -3.116 -19.779 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.045 -4.419 -19.562 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.141 -5.749 -17.149 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.206 -1.619 -18.048 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.276 -5.221 -14.710 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.345 -1.091 -15.608 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.379 -2.898 -13.968 1.00 0.00 H new ATOM 265 N LYS A 39 -5.772 -6.602 -21.262 1.00 0.00 N ATOM 266 CA LYS A 39 -6.151 -7.015 -22.603 1.00 0.00 C ATOM 267 C LYS A 39 -7.630 -6.696 -22.831 1.00 0.00 C ATOM 268 O LYS A 39 -8.435 -6.772 -21.903 1.00 0.00 O ATOM 269 CB LYS A 39 -5.797 -8.485 -22.831 1.00 0.00 C ATOM 270 CG LYS A 39 -6.287 -9.354 -21.670 1.00 0.00 C ATOM 271 CD LYS A 39 -6.419 -10.817 -22.098 1.00 0.00 C ATOM 272 CE LYS A 39 -5.138 -11.596 -21.792 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.391 -13.054 -21.851 1.00 0.00 N ATOM 0 H LYS A 39 -6.026 -7.260 -20.525 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.585 -6.456 -23.348 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.245 -8.830 -23.763 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.717 -8.590 -22.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.591 -9.277 -20.835 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.250 -8.986 -21.317 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.261 -11.277 -21.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.634 -10.869 -23.165 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.362 -11.326 -22.508 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.768 -11.325 -20.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.491 -13.567 -21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.026 -13.328 -21.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.834 -13.293 -22.761 1.00 0.00 H new ATOM 274 N LYS A 40 -7.944 -6.347 -24.070 1.00 0.00 N ATOM 275 CA LYS A 40 -9.195 -5.669 -24.362 1.00 0.00 C ATOM 276 C LYS A 40 -10.324 -6.698 -24.428 1.00 0.00 C ATOM 277 O LYS A 40 -10.081 -7.900 -24.329 1.00 0.00 O ATOM 278 CB LYS A 40 -9.061 -4.820 -25.628 1.00 0.00 C ATOM 279 CG LYS A 40 -7.771 -3.997 -25.602 1.00 0.00 C ATOM 280 CD LYS A 40 -7.772 -3.011 -24.433 1.00 0.00 C ATOM 281 CE LYS A 40 -8.811 -1.908 -24.647 1.00 0.00 C ATOM 282 NZ LYS A 40 -9.858 -1.972 -23.604 1.00 0.00 N ATOM 0 H LYS A 40 -7.353 -6.521 -24.883 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.446 -4.971 -23.563 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.067 -5.466 -26.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.920 -4.154 -25.716 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.912 -4.663 -25.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.664 -3.453 -26.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.986 -3.542 -23.505 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.782 -2.567 -24.326 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.325 -0.933 -24.623 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.264 -2.014 -25.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.370 -1.067 -23.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.524 -2.739 -23.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.417 -2.155 -22.680 1.00 0.00 H new ATOM 283 N LYS A 41 -11.536 -6.190 -24.598 1.00 0.00 N ATOM 284 CA LYS A 41 -12.701 -7.052 -24.711 1.00 0.00 C ATOM 285 C LYS A 41 -12.484 -8.046 -25.854 1.00 0.00 C ATOM 286 O LYS A 41 -11.488 -7.965 -26.572 1.00 0.00 O ATOM 287 CB LYS A 41 -13.973 -6.215 -24.858 1.00 0.00 C ATOM 288 CG LYS A 41 -15.062 -6.702 -23.898 1.00 0.00 C ATOM 289 CD LYS A 41 -16.358 -5.914 -24.095 1.00 0.00 C ATOM 290 CE LYS A 41 -16.300 -4.571 -23.364 1.00 0.00 C ATOM 291 NZ LYS A 41 -17.611 -3.888 -23.432 1.00 0.00 N ATOM 0 H LYS A 41 -11.737 -5.192 -24.660 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.834 -7.636 -23.800 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.749 -5.167 -24.658 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.335 -6.273 -25.885 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.249 -7.763 -24.062 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.719 -6.594 -22.869 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.528 -5.746 -25.159 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.202 -6.497 -23.726 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.019 -4.729 -22.323 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.531 -3.940 -23.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.555 -2.978 -22.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.864 -3.721 -24.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.337 -4.484 -22.986 1.00 0.00 H new ATOM 292 N ARG A 42 -13.432 -8.962 -25.987 1.00 0.00 N ATOM 293 CA ARG A 42 -13.348 -9.982 -27.018 1.00 0.00 C ATOM 294 C ARG A 42 -12.133 -10.881 -26.778 1.00 0.00 C ATOM 295 O ARG A 42 -11.411 -11.216 -27.715 1.00 0.00 O ATOM 296 CB ARG A 42 -13.241 -9.353 -28.408 1.00 0.00 C ATOM 297 CG ARG A 42 -14.342 -8.312 -28.625 1.00 0.00 C ATOM 298 CD ARG A 42 -14.583 -8.071 -30.116 1.00 0.00 C ATOM 299 NE ARG A 42 -15.339 -6.814 -30.311 1.00 0.00 N ATOM 300 CZ ARG A 42 -14.769 -5.620 -30.525 1.00 0.00 C ATOM 301 NH1 ARG A 42 -13.460 -5.452 -30.299 1.00 0.00 N ATOM 302 NH2 ARG A 42 -15.509 -4.595 -30.967 1.00 0.00 N ATOM 0 H ARG A 42 -14.262 -9.019 -25.398 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.260 -10.577 -26.970 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.264 -8.884 -28.525 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.315 -10.130 -29.169 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.265 -8.650 -28.154 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.062 -7.376 -28.142 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.630 -8.017 -30.643 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.136 -8.907 -30.543 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.358 -6.859 -30.281 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.896 -6.233 -29.964 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.027 -4.543 -30.462 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.506 -4.723 -31.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.076 -3.686 -31.130 1.00 0.00 H new ATOM 303 N THR A 43 -11.945 -11.244 -25.517 1.00 0.00 N ATOM 304 CA THR A 43 -10.907 -12.196 -25.160 1.00 0.00 C ATOM 305 C THR A 43 -11.401 -13.134 -24.057 1.00 0.00 C ATOM 306 O THR A 43 -12.036 -12.694 -23.101 1.00 0.00 O ATOM 307 CB THR A 43 -9.656 -11.406 -24.770 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.586 -12.320 -24.991 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.592 -11.113 -23.270 1.00 0.00 C ATOM 0 H THR A 43 -12.494 -10.896 -24.731 1.00 0.00 H new ATOM 0 HA THR A 43 -10.654 -12.840 -26.002 1.00 0.00 H new ATOM 0 HB THR A 43 -9.632 -10.468 -25.324 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.736 -11.889 -24.765 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.685 -10.551 -23.047 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.463 -10.528 -22.976 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.582 -12.052 -22.716 1.00 0.00 H new ATOM 310 N ILE A 44 -11.091 -14.411 -24.229 1.00 0.00 N ATOM 311 CA ILE A 44 -11.648 -15.439 -23.366 1.00 0.00 C ATOM 312 C ILE A 44 -10.843 -15.499 -22.066 1.00 0.00 C ATOM 313 O ILE A 44 -9.631 -15.704 -22.092 1.00 0.00 O ATOM 314 CB ILE A 44 -11.723 -16.776 -24.105 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.416 -16.616 -25.459 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.396 -17.844 -23.240 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.783 -15.947 -25.301 1.00 0.00 C ATOM 0 H ILE A 44 -10.461 -14.757 -24.953 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.675 -15.193 -23.095 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.706 -17.115 -24.302 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.790 -16.020 -26.123 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.537 -17.593 -25.927 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.436 -18.785 -23.789 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.823 -17.983 -22.323 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.408 -17.526 -22.991 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.254 -15.846 -26.279 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.415 -16.558 -24.656 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.656 -14.960 -24.855 1.00 0.00 H new ATOM 318 N CYS A 45 -11.550 -15.316 -20.960 1.00 0.00 N ATOM 319 CA CYS A 45 -10.917 -15.356 -19.653 1.00 0.00 C ATOM 320 C CYS A 45 -11.212 -16.716 -19.016 1.00 0.00 C ATOM 321 O CYS A 45 -10.435 -17.203 -18.198 1.00 0.00 O ATOM 322 CB CYS A 45 -11.381 -14.198 -18.766 1.00 0.00 C ATOM 323 SG CYS A 45 -12.662 -14.640 -17.536 1.00 0.00 S ATOM 0 H CYS A 45 -12.555 -15.140 -20.942 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.839 -15.235 -19.764 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.517 -13.793 -18.240 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.768 -13.403 -19.403 1.00 0.00 H new ATOM 324 N ARG A 46 -12.337 -17.290 -19.418 1.00 0.00 N ATOM 325 CA ARG A 46 -12.751 -18.577 -18.887 1.00 0.00 C ATOM 326 C ARG A 46 -13.716 -19.265 -19.853 1.00 0.00 C ATOM 327 O ARG A 46 -14.389 -18.602 -20.641 1.00 0.00 O ATOM 328 CB ARG A 46 -13.432 -18.417 -17.525 1.00 0.00 C ATOM 329 CG ARG A 46 -12.688 -19.205 -16.445 1.00 0.00 C ATOM 330 CD ARG A 46 -13.323 -18.985 -15.070 1.00 0.00 C ATOM 331 NE ARG A 46 -12.642 -19.821 -14.058 1.00 0.00 N ATOM 332 CZ ARG A 46 -11.486 -19.491 -13.464 1.00 0.00 C ATOM 333 NH1 ARG A 46 -10.844 -18.371 -13.825 1.00 0.00 N ATOM 334 NH2 ARG A 46 -10.974 -20.279 -12.510 1.00 0.00 N ATOM 0 H ARG A 46 -12.974 -16.887 -20.105 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.857 -19.188 -18.765 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.465 -17.362 -17.253 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.464 -18.763 -17.587 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.702 -20.267 -16.690 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.643 -18.897 -16.420 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.252 -17.933 -14.792 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.383 -19.235 -15.106 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.079 -20.704 -13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.235 -17.771 -14.551 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.965 -18.119 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.463 -21.131 -12.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.095 -20.028 -12.058 1.00 0.00 H new ATOM 335 N ILE A 47 -13.753 -20.587 -19.762 1.00 0.00 N ATOM 336 CA ILE A 47 -14.663 -21.368 -20.584 1.00 0.00 C ATOM 337 C ILE A 47 -15.914 -21.704 -19.771 1.00 0.00 C ATOM 338 O ILE A 47 -15.872 -21.732 -18.542 1.00 0.00 O ATOM 339 CB ILE A 47 -13.950 -22.597 -21.151 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.505 -22.266 -21.533 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.731 -23.190 -22.325 1.00 0.00 C ATOM 342 CD1 ILE A 47 -12.460 -21.265 -22.689 1.00 0.00 C ATOM 0 H ILE A 47 -13.168 -21.136 -19.132 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.989 -20.790 -21.448 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.911 -23.358 -20.372 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.982 -21.854 -20.670 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.982 -23.179 -21.817 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.203 -24.062 -22.710 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.724 -23.487 -21.988 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.823 -22.444 -23.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.422 -21.047 -22.941 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.963 -21.690 -23.558 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.963 -20.344 -22.393 1.00 0.00 H new ATOM 343 N ALA A 48 -17.000 -21.949 -20.490 1.00 0.00 N ATOM 344 CA ALA A 48 -18.265 -22.268 -19.851 1.00 0.00 C ATOM 345 C ALA A 48 -18.287 -23.752 -19.483 1.00 0.00 C ATOM 346 O ALA A 48 -17.715 -24.579 -20.193 1.00 0.00 O ATOM 347 CB ALA A 48 -19.418 -21.880 -20.779 1.00 0.00 C ATOM 0 H ALA A 48 -17.030 -21.933 -21.509 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.383 -21.699 -18.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.367 -22.119 -20.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.375 -20.811 -20.985 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.334 -22.433 -21.714 1.00 0.00 H new ATOM 348 N ARG A 49 -18.951 -24.046 -18.376 1.00 0.00 N ATOM 349 CA ARG A 49 -19.069 -25.419 -17.915 1.00 0.00 C ATOM 350 C ARG A 49 -20.372 -26.040 -18.423 1.00 0.00 C ATOM 351 O ARG A 49 -20.401 -27.210 -18.796 1.00 0.00 O ATOM 352 CB ARG A 49 -19.039 -25.491 -16.386 1.00 0.00 C ATOM 353 CG ARG A 49 -17.891 -24.653 -15.821 1.00 0.00 C ATOM 354 CD ARG A 49 -16.541 -25.323 -16.084 1.00 0.00 C ATOM 355 NE ARG A 49 -16.099 -25.042 -17.469 1.00 0.00 N ATOM 356 CZ ARG A 49 -15.366 -25.886 -18.209 1.00 0.00 C ATOM 357 NH1 ARG A 49 -14.672 -26.867 -17.616 1.00 0.00 N ATOM 358 NH2 ARG A 49 -15.329 -25.749 -19.541 1.00 0.00 N ATOM 0 H ARG A 49 -19.414 -23.356 -17.784 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.219 -25.976 -18.310 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.987 -25.135 -15.983 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.927 -26.528 -16.069 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.903 -23.661 -16.274 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.030 -24.516 -14.749 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.799 -24.956 -15.375 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.623 -26.399 -15.931 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.369 -24.151 -17.886 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.702 -26.971 -16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.114 -27.509 -18.179 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.858 -25.003 -19.992 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.771 -26.391 -20.104 1.00 0.00 H new ATOM 359 N GLY A 50 -21.417 -25.226 -18.420 1.00 0.00 N ATOM 360 CA GLY A 50 -22.710 -25.667 -18.918 1.00 0.00 C ATOM 361 C GLY A 50 -22.858 -25.354 -20.409 1.00 0.00 C ATOM 362 O GLY A 50 -21.889 -25.434 -21.163 1.00 0.00 O ATOM 0 H GLY A 50 -21.396 -24.264 -18.081 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.820 -26.739 -18.755 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.506 -25.176 -18.359 1.00 0.00 H new ATOM 363 N ASP A 51 -24.077 -25.005 -20.789 1.00 0.00 N ATOM 364 CA ASP A 51 -24.367 -24.690 -22.178 1.00 0.00 C ATOM 365 C ASP A 51 -24.394 -23.171 -22.358 1.00 0.00 C ATOM 366 O ASP A 51 -25.256 -22.640 -23.056 1.00 0.00 O ATOM 367 CB ASP A 51 -25.733 -25.240 -22.594 1.00 0.00 C ATOM 368 CG ASP A 51 -25.960 -25.335 -24.104 1.00 0.00 C ATOM 369 OD1 ASP A 51 -25.552 -26.313 -24.749 1.00 0.00 O ATOM 370 OD2 ASP A 51 -26.592 -24.339 -24.625 1.00 0.00 O ATOM 0 H ASP A 51 -24.876 -24.933 -20.160 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.592 -25.144 -22.795 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -25.855 -26.232 -22.160 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.509 -24.606 -22.164 1.00 0.00 H new ATOM 371 N PHE A 52 -23.438 -22.515 -21.715 1.00 0.00 N ATOM 372 CA PHE A 52 -23.340 -21.067 -21.798 1.00 0.00 C ATOM 373 C PHE A 52 -22.152 -20.648 -22.667 1.00 0.00 C ATOM 374 O PHE A 52 -21.241 -21.440 -22.903 1.00 0.00 O ATOM 375 CB PHE A 52 -23.122 -20.551 -20.374 1.00 0.00 C ATOM 376 CG PHE A 52 -23.855 -21.359 -19.301 1.00 0.00 C ATOM 377 CD1 PHE A 52 -25.204 -21.517 -19.371 1.00 0.00 C ATOM 378 CD2 PHE A 52 -23.158 -21.920 -18.276 1.00 0.00 C ATOM 379 CE1 PHE A 52 -25.885 -22.267 -18.375 1.00 0.00 C ATOM 380 CE2 PHE A 52 -23.838 -22.669 -17.281 1.00 0.00 C ATOM 381 CZ PHE A 52 -25.187 -22.827 -17.352 1.00 0.00 C ATOM 0 H PHE A 52 -22.726 -22.959 -21.135 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.246 -20.657 -22.245 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.054 -20.560 -20.155 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -23.450 -19.513 -20.320 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.758 -21.072 -20.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -22.087 -21.795 -18.220 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -26.956 -22.392 -18.431 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -23.284 -23.114 -16.467 1.00 0.00 H new ATOM 0 HZ PHE A 52 -25.704 -23.398 -16.595 1.00 0.00 H new ATOM 382 N PRO A 53 -22.202 -19.369 -23.130 1.00 0.00 N ATOM 383 CA PRO A 53 -21.092 -18.800 -23.873 1.00 0.00 C ATOM 384 C PRO A 53 -19.929 -18.453 -22.941 1.00 0.00 C ATOM 385 O PRO A 53 -20.139 -17.927 -21.849 1.00 0.00 O ATOM 386 CB PRO A 53 -21.672 -17.583 -24.576 1.00 0.00 C ATOM 387 CG PRO A 53 -22.957 -17.250 -23.838 1.00 0.00 C ATOM 388 CD PRO A 53 -23.312 -18.438 -22.959 1.00 0.00 C ATOM 0 HA PRO A 53 -20.668 -19.497 -24.596 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -20.975 -16.745 -24.545 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -21.869 -17.796 -25.627 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -22.828 -16.353 -23.233 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -23.761 -17.045 -24.545 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.422 -18.140 -21.916 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.257 -18.888 -23.264 1.00 0.00 H new ATOM 389 N ASP A 54 -18.727 -18.763 -23.406 1.00 0.00 N ATOM 390 CA ASP A 54 -17.527 -18.437 -22.653 1.00 0.00 C ATOM 391 C ASP A 54 -17.547 -16.952 -22.287 1.00 0.00 C ATOM 392 O ASP A 54 -18.095 -16.134 -23.024 1.00 0.00 O ATOM 393 CB ASP A 54 -16.268 -18.703 -23.483 1.00 0.00 C ATOM 394 CG ASP A 54 -16.370 -18.307 -24.957 1.00 0.00 C ATOM 395 OD1 ASP A 54 -16.955 -17.179 -25.180 1.00 0.00 O ATOM 396 OD2 ASP A 54 -15.914 -19.039 -25.848 1.00 0.00 O ATOM 0 H ASP A 54 -18.558 -19.236 -24.294 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.509 -19.061 -21.759 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.434 -18.163 -23.034 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.029 -19.765 -23.423 1.00 0.00 H new ATOM 397 N ASP A 55 -16.943 -16.648 -21.147 1.00 0.00 N ATOM 398 CA ASP A 55 -16.960 -15.291 -20.629 1.00 0.00 C ATOM 399 C ASP A 55 -15.780 -14.513 -21.214 1.00 0.00 C ATOM 400 O ASP A 55 -14.674 -15.042 -21.320 1.00 0.00 O ATOM 401 CB ASP A 55 -16.824 -15.281 -19.106 1.00 0.00 C ATOM 402 CG ASP A 55 -16.536 -13.910 -18.492 1.00 0.00 C ATOM 403 OD1 ASP A 55 -17.582 -13.209 -18.207 1.00 0.00 O ATOM 404 OD2 ASP A 55 -15.372 -13.530 -18.294 1.00 0.00 O ATOM 0 H ASP A 55 -16.439 -17.319 -20.568 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.910 -14.835 -20.909 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.744 -15.671 -18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.023 -15.965 -18.823 1.00 0.00 H new ATOM 405 N ARG A 56 -16.055 -13.269 -21.579 1.00 0.00 N ATOM 406 CA ARG A 56 -15.021 -12.401 -22.116 1.00 0.00 C ATOM 407 C ARG A 56 -14.578 -11.386 -21.060 1.00 0.00 C ATOM 408 O ARG A 56 -15.299 -11.136 -20.094 1.00 0.00 O ATOM 409 CB ARG A 56 -15.519 -11.653 -23.354 1.00 0.00 C ATOM 410 CG ARG A 56 -15.376 -12.514 -24.609 1.00 0.00 C ATOM 411 CD ARG A 56 -16.345 -12.057 -25.702 1.00 0.00 C ATOM 412 NE ARG A 56 -17.675 -12.671 -25.489 1.00 0.00 N ATOM 413 CZ ARG A 56 -17.946 -13.967 -25.695 1.00 0.00 C ATOM 414 NH1 ARG A 56 -17.006 -14.776 -26.203 1.00 0.00 N ATOM 415 NH2 ARG A 56 -19.157 -14.455 -25.395 1.00 0.00 N ATOM 0 H ARG A 56 -16.979 -12.842 -21.513 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.176 -13.028 -22.399 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.564 -11.373 -23.218 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.954 -10.729 -23.476 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.352 -12.457 -24.979 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.568 -13.558 -24.362 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.431 -10.970 -25.692 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.959 -12.337 -26.682 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.433 -12.070 -25.165 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.084 -14.405 -26.433 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.213 -15.762 -26.360 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.874 -13.840 -25.009 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.363 -15.442 -25.552 1.00 0.00 H new ATOM 416 N CYS A 57 -13.396 -10.831 -21.277 1.00 0.00 N ATOM 417 CA CYS A 57 -12.877 -9.802 -20.391 1.00 0.00 C ATOM 418 C CYS A 57 -13.656 -8.510 -20.648 1.00 0.00 C ATOM 419 O CYS A 57 -14.526 -8.467 -21.516 1.00 0.00 O ATOM 420 CB CYS A 57 -11.371 -9.606 -20.573 1.00 0.00 C ATOM 421 SG CYS A 57 -10.346 -11.047 -20.099 1.00 0.00 S ATOM 0 H CYS A 57 -12.781 -11.074 -22.054 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.014 -10.108 -19.354 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.174 -9.366 -21.618 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.057 -8.745 -19.983 1.00 0.00 H new ATOM 422 N THR A 58 -13.314 -7.489 -19.877 1.00 0.00 N ATOM 423 CA THR A 58 -13.952 -6.191 -20.027 1.00 0.00 C ATOM 424 C THR A 58 -13.035 -5.232 -20.790 1.00 0.00 C ATOM 425 O THR A 58 -13.497 -4.458 -21.626 1.00 0.00 O ATOM 426 CB THR A 58 -14.333 -5.687 -18.634 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.171 -5.929 -17.846 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.415 -6.547 -17.977 1.00 0.00 C ATOM 0 H THR A 58 -12.604 -7.533 -19.146 1.00 0.00 H new ATOM 0 HA THR A 58 -14.862 -6.264 -20.622 1.00 0.00 H new ATOM 0 HB THR A 58 -14.680 -4.656 -18.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.195 -5.365 -17.045 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.649 -6.147 -16.991 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.313 -6.537 -18.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.055 -7.571 -17.877 1.00 0.00 H new ATOM 429 N GLY A 59 -11.750 -5.315 -20.473 1.00 0.00 N ATOM 430 CA GLY A 59 -10.762 -4.482 -21.136 1.00 0.00 C ATOM 431 C GLY A 59 -10.294 -3.349 -20.219 1.00 0.00 C ATOM 432 O GLY A 59 -9.632 -2.416 -20.668 1.00 0.00 O ATOM 0 H GLY A 59 -11.372 -5.946 -19.766 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.908 -5.091 -21.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.187 -4.064 -22.048 1.00 0.00 H new ATOM 433 N LEU A 60 -10.659 -3.469 -18.951 1.00 0.00 N ATOM 434 CA LEU A 60 -10.218 -2.512 -17.952 1.00 0.00 C ATOM 435 C LEU A 60 -10.139 -3.204 -16.588 1.00 0.00 C ATOM 436 O LEU A 60 -10.316 -2.565 -15.553 1.00 0.00 O ATOM 437 CB LEU A 60 -11.118 -1.274 -17.961 1.00 0.00 C ATOM 438 CG LEU A 60 -12.624 -1.540 -17.930 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.137 -1.627 -16.492 1.00 0.00 C ATOM 440 CD2 LEU A 60 -13.382 -0.491 -18.746 1.00 0.00 C ATOM 0 H LEU A 60 -11.255 -4.215 -18.593 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.216 -2.152 -18.187 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.860 -0.656 -17.101 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.890 -0.690 -18.853 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.809 -2.508 -18.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.210 -1.817 -16.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.629 -2.439 -15.973 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.938 -0.687 -15.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.451 -0.703 -18.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.193 0.499 -18.331 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.043 -0.521 -19.782 1.00 0.00 H new ATOM 441 N SER A 61 -9.872 -4.501 -16.634 1.00 0.00 N ATOM 442 CA SER A 61 -9.808 -5.295 -15.419 1.00 0.00 C ATOM 443 C SER A 61 -8.845 -6.467 -15.610 1.00 0.00 C ATOM 444 O SER A 61 -8.638 -6.930 -16.731 1.00 0.00 O ATOM 445 CB SER A 61 -11.195 -5.807 -15.022 1.00 0.00 C ATOM 446 OG SER A 61 -12.233 -4.937 -15.467 1.00 0.00 O ATOM 0 H SER A 61 -9.698 -5.022 -17.494 1.00 0.00 H new ATOM 0 HA SER A 61 -9.441 -4.659 -14.614 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.349 -6.800 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.247 -5.909 -13.938 1.00 0.00 H new ATOM 0 HG SER A 61 -13.099 -5.274 -15.154 1.00 0.00 H new ATOM 447 N ASN A 62 -8.280 -6.915 -14.497 1.00 0.00 N ATOM 448 CA ASN A 62 -7.338 -8.021 -14.529 1.00 0.00 C ATOM 449 C ASN A 62 -8.037 -9.294 -14.046 1.00 0.00 C ATOM 450 O ASN A 62 -7.569 -10.401 -14.309 1.00 0.00 O ATOM 451 CB ASN A 62 -6.147 -7.756 -13.607 1.00 0.00 C ATOM 452 CG ASN A 62 -5.807 -8.998 -12.780 1.00 0.00 C ATOM 453 OD1 ASN A 62 -6.342 -9.230 -11.709 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.888 -9.783 -13.338 1.00 0.00 N ATOM 0 H ASN A 62 -8.457 -6.532 -13.568 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.983 -8.133 -15.553 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.281 -7.462 -14.201 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.376 -6.923 -12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.592 -10.637 -12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.480 -9.530 -14.238 1.00 0.00 H new ATOM 455 N ASP A 63 -9.145 -9.093 -13.348 1.00 0.00 N ATOM 456 CA ASP A 63 -9.887 -10.210 -12.785 1.00 0.00 C ATOM 457 C ASP A 63 -10.607 -10.956 -13.910 1.00 0.00 C ATOM 458 O ASP A 63 -10.672 -10.473 -15.039 1.00 0.00 O ATOM 459 CB ASP A 63 -10.941 -9.724 -11.789 1.00 0.00 C ATOM 460 CG ASP A 63 -10.566 -8.456 -11.018 1.00 0.00 C ATOM 461 OD1 ASP A 63 -10.438 -7.369 -11.601 1.00 0.00 O ATOM 462 OD2 ASP A 63 -10.401 -8.619 -9.749 1.00 0.00 O ATOM 0 H ASP A 63 -9.547 -8.175 -13.159 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.180 -10.861 -12.272 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.871 -9.542 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.138 -10.522 -11.073 1.00 0.00 H new ATOM 463 N CYS A 64 -11.132 -12.121 -13.561 1.00 0.00 N ATOM 464 CA CYS A 64 -11.799 -12.965 -14.539 1.00 0.00 C ATOM 465 C CYS A 64 -13.063 -13.539 -13.897 1.00 0.00 C ATOM 466 O CYS A 64 -13.036 -14.632 -13.334 1.00 0.00 O ATOM 467 CB CYS A 64 -10.874 -14.065 -15.062 1.00 0.00 C ATOM 468 SG CYS A 64 -11.718 -15.408 -15.975 1.00 0.00 S ATOM 0 H CYS A 64 -11.109 -12.501 -12.615 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.074 -12.369 -15.409 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.129 -13.613 -15.716 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.337 -14.500 -14.219 1.00 0.00 H new ATOM 469 N PRO A 65 -14.170 -12.755 -14.004 1.00 0.00 N ATOM 470 CA PRO A 65 -15.446 -13.185 -13.460 1.00 0.00 C ATOM 471 C PRO A 65 -16.082 -14.263 -14.340 1.00 0.00 C ATOM 472 O PRO A 65 -15.983 -14.208 -15.565 1.00 0.00 O ATOM 473 CB PRO A 65 -16.283 -11.919 -13.375 1.00 0.00 C ATOM 474 CG PRO A 65 -15.616 -10.915 -14.300 1.00 0.00 C ATOM 475 CD PRO A 65 -14.234 -11.445 -14.644 1.00 0.00 C ATOM 0 HA PRO A 65 -15.350 -13.651 -12.479 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.311 -12.109 -13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.320 -11.543 -12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.208 -10.777 -15.205 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.542 -9.941 -13.816 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.097 -11.524 -15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.452 -10.783 -14.271 1.00 0.00 H new ATOM 476 N ARG A 66 -16.722 -15.218 -13.682 1.00 0.00 N ATOM 477 CA ARG A 66 -17.389 -16.297 -14.389 1.00 0.00 C ATOM 478 C ARG A 66 -18.666 -15.785 -15.059 1.00 0.00 C ATOM 479 O ARG A 66 -19.204 -14.750 -14.667 1.00 0.00 O ATOM 480 CB ARG A 66 -17.745 -17.443 -13.438 1.00 0.00 C ATOM 481 CG ARG A 66 -16.572 -17.771 -12.512 1.00 0.00 C ATOM 482 CD ARG A 66 -16.708 -19.180 -11.933 1.00 0.00 C ATOM 483 NE ARG A 66 -16.039 -19.253 -10.615 1.00 0.00 N ATOM 484 CZ ARG A 66 -16.582 -18.813 -9.472 1.00 0.00 C ATOM 485 NH1 ARG A 66 -17.769 -18.193 -9.489 1.00 0.00 N ATOM 486 NH2 ARG A 66 -15.936 -18.992 -8.311 1.00 0.00 N ATOM 0 H ARG A 66 -16.793 -15.267 -12.666 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.701 -16.670 -15.148 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.617 -17.170 -12.844 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.017 -18.328 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.635 -17.689 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.529 -17.043 -11.701 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.762 -19.439 -11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.266 -19.906 -12.615 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.106 -19.664 -10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.260 -18.056 -10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.182 -17.858 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.031 -19.463 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.349 -18.657 -7.441 1.00 0.00 H new ATOM 487 N TRP A 67 -19.114 -16.530 -16.056 1.00 0.00 N ATOM 488 CA TRP A 67 -20.350 -16.198 -16.744 1.00 0.00 C ATOM 489 C TRP A 67 -21.515 -16.541 -15.815 1.00 0.00 C ATOM 490 O TRP A 67 -21.954 -17.689 -15.761 1.00 0.00 O ATOM 491 CB TRP A 67 -20.434 -16.910 -18.096 1.00 0.00 C ATOM 492 CG TRP A 67 -21.240 -16.148 -19.151 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.815 -15.179 -19.973 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.636 -16.334 -19.466 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.831 -14.728 -20.791 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.974 -15.452 -20.472 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.583 -17.217 -18.918 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -24.260 -15.368 -21.019 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.864 -17.120 -19.475 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.220 -16.239 -20.489 1.00 0.00 C ATOM 0 H TRP A 67 -18.643 -17.365 -16.405 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.389 -15.133 -16.973 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.424 -17.073 -18.473 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -20.883 -17.893 -17.950 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.804 -14.799 -19.993 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.757 -13.998 -21.499 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.342 -17.915 -18.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.499 -14.669 -21.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.630 -17.777 -19.089 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.232 -16.226 -20.866 1.00 0.00 H new ATOM 501 N ASN A 68 -21.984 -15.524 -15.106 1.00 0.00 N ATOM 502 CA ASN A 68 -23.157 -15.678 -14.262 1.00 0.00 C ATOM 503 C ASN A 68 -24.059 -14.452 -14.423 1.00 0.00 C ATOM 504 O ASN A 68 -24.148 -13.620 -13.521 1.00 0.00 O ATOM 505 CB ASN A 68 -22.765 -15.787 -12.787 1.00 0.00 C ATOM 506 CG ASN A 68 -21.461 -15.036 -12.510 1.00 0.00 C ATOM 507 OD1 ASN A 68 -20.417 -15.621 -12.269 1.00 0.00 O ATOM 508 ND2 ASN A 68 -21.578 -13.712 -12.557 1.00 0.00 N ATOM 0 H ASN A 68 -21.573 -14.591 -15.099 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.674 -16.589 -14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -23.562 -15.381 -12.164 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.650 -16.836 -12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.764 -13.122 -12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -22.482 -13.287 -12.764 1.00 0.00 H new ATOM 509 N ASP A 69 -24.706 -14.381 -15.577 1.00 0.00 N ATOM 510 CA ASP A 69 -25.601 -13.273 -15.865 1.00 0.00 C ATOM 511 C ASP A 69 -27.020 -13.642 -15.426 1.00 0.00 C ATOM 512 O ASP A 69 -27.369 -14.821 -15.368 1.00 0.00 O ATOM 513 CB ASP A 69 -25.634 -12.967 -17.364 1.00 0.00 C ATOM 514 CG ASP A 69 -24.305 -12.497 -17.957 1.00 0.00 C ATOM 515 OD1 ASP A 69 -24.013 -11.261 -17.729 1.00 0.00 O ATOM 516 OD2 ASP A 69 -23.585 -13.271 -18.604 1.00 0.00 O ATOM 0 H ASP A 69 -24.628 -15.072 -16.323 1.00 0.00 H new ATOM 0 HA ASP A 69 -25.238 -12.398 -15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -25.955 -13.863 -17.895 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -26.387 -12.201 -17.547 1.00 0.00 H new ATOM 517 N LEU A 70 -27.799 -12.614 -15.128 1.00 0.00 N ATOM 518 CA LEU A 70 -29.178 -12.813 -14.717 1.00 0.00 C ATOM 519 C LEU A 70 -29.993 -11.563 -15.055 1.00 0.00 C ATOM 520 O LEU A 70 -31.197 -11.579 -15.300 1.00 0.00 O ATOM 521 CB LEU A 70 -29.329 -13.283 -13.245 1.00 0.00 C ATOM 522 CG LEU A 70 -29.033 -12.297 -12.086 1.00 0.00 C ATOM 523 CD1 LEU A 70 -27.609 -11.727 -12.068 1.00 0.00 C ATOM 524 CD2 LEU A 70 -30.095 -11.203 -11.916 1.00 0.00 C ATOM 525 OXT LEU A 70 -29.330 -10.402 -15.066 1.00 0.00 O ATOM 0 H LEU A 70 -27.501 -11.639 -15.163 1.00 0.00 H new ATOM 0 HA LEU A 70 -29.587 -13.648 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -30.353 -13.634 -13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -28.678 -14.147 -13.111 1.00 0.00 H new ATOM 0 HG LEU A 70 -29.097 -12.931 -11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -27.499 -11.049 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -26.892 -12.543 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -27.423 -11.184 -12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -29.818 -10.553 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -30.161 -10.615 -12.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -31.061 -11.663 -11.710 1.00 0.00 H new TER 526 LEU A 70