USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 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 39 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 120:sc= 1.09 USER MOD Single : A 8 SER OG : rot -3:sc= 0.401 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.0707 K(o=0.071,f=-8.9!) USER MOD Single : A 18 THR OG1 : rot -58:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0329 K(o=-0.033,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.132 (180deg=-0.574) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 61 SER OG : rot 180:sc= -0.519 USER MOD Single : A 62 ASN : amide:sc= -0.708 X(o=-0.71,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 2.318 -8.724 -3.589 1.00 0.00 N ATOM 24 CA CYS A 4 2.819 -9.500 -4.711 1.00 0.00 C ATOM 25 C CYS A 4 1.633 -9.892 -5.593 1.00 0.00 C ATOM 26 O CYS A 4 0.652 -10.455 -5.106 1.00 0.00 O ATOM 27 CB CYS A 4 3.611 -10.722 -4.244 1.00 0.00 C ATOM 28 SG CYS A 4 5.419 -10.611 -4.504 1.00 0.00 S ATOM 0 HA CYS A 4 3.517 -8.896 -5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.420 -10.877 -3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.236 -11.602 -4.767 1.00 0.00 H new ATOM 29 N ASP A 5 1.759 -9.579 -6.874 1.00 0.00 N ATOM 30 CA ASP A 5 0.751 -9.972 -7.844 1.00 0.00 C ATOM 31 C ASP A 5 1.412 -10.789 -8.956 1.00 0.00 C ATOM 32 O ASP A 5 0.952 -10.777 -10.096 1.00 0.00 O ATOM 33 CB ASP A 5 0.094 -8.747 -8.483 1.00 0.00 C ATOM 34 CG ASP A 5 -0.571 -7.783 -7.498 1.00 0.00 C ATOM 35 OD1 ASP A 5 0.238 -6.985 -6.887 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.798 -7.792 -7.326 1.00 0.00 O ATOM 0 H ASP A 5 2.544 -9.057 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.008 -10.557 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.850 -8.201 -9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.655 -9.087 -9.198 1.00 0.00 H new ATOM 37 N CYS A 6 2.481 -11.478 -8.585 1.00 0.00 N ATOM 38 CA CYS A 6 3.204 -12.306 -9.536 1.00 0.00 C ATOM 39 C CYS A 6 4.087 -13.279 -8.750 1.00 0.00 C ATOM 40 O CYS A 6 4.168 -13.198 -7.526 1.00 0.00 O ATOM 41 CB CYS A 6 4.018 -11.462 -10.518 1.00 0.00 C ATOM 42 SG CYS A 6 5.750 -11.155 -10.014 1.00 0.00 S ATOM 0 H CYS A 6 2.864 -11.480 -7.640 1.00 0.00 H new ATOM 0 HA CYS A 6 2.496 -12.869 -10.144 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.019 -11.959 -11.488 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.518 -10.503 -10.652 1.00 0.00 H new ATOM 43 N GLY A 7 4.726 -14.174 -9.489 1.00 0.00 N ATOM 44 CA GLY A 7 5.641 -15.127 -8.883 1.00 0.00 C ATOM 45 C GLY A 7 6.585 -15.722 -9.929 1.00 0.00 C ATOM 46 O GLY A 7 6.585 -16.931 -10.155 1.00 0.00 O ATOM 0 H GLY A 7 4.629 -14.260 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.221 -14.634 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.075 -15.925 -8.403 1.00 0.00 H new ATOM 47 N SER A 8 7.368 -14.844 -10.540 1.00 0.00 N ATOM 48 CA SER A 8 8.336 -15.272 -11.537 1.00 0.00 C ATOM 49 C SER A 8 9.462 -14.242 -11.647 1.00 0.00 C ATOM 50 O SER A 8 9.204 -13.045 -11.755 1.00 0.00 O ATOM 51 CB SER A 8 7.670 -15.479 -12.898 1.00 0.00 C ATOM 52 OG SER A 8 6.643 -16.466 -12.846 1.00 0.00 O ATOM 0 H SER A 8 7.352 -13.839 -10.364 1.00 0.00 H new ATOM 0 HA SER A 8 8.755 -16.227 -11.220 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.248 -14.535 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.422 -15.777 -13.628 1.00 0.00 H new ATOM 0 HG SER A 8 6.601 -16.847 -11.944 1.00 0.00 H new ATOM 53 N PRO A 9 10.720 -14.760 -11.616 1.00 0.00 N ATOM 54 CA PRO A 9 11.885 -13.905 -11.769 1.00 0.00 C ATOM 55 C PRO A 9 12.061 -13.474 -13.227 1.00 0.00 C ATOM 56 O PRO A 9 12.335 -12.307 -13.503 1.00 0.00 O ATOM 57 CB PRO A 9 13.050 -14.732 -11.249 1.00 0.00 C ATOM 58 CG PRO A 9 12.573 -16.175 -11.259 1.00 0.00 C ATOM 59 CD PRO A 9 11.064 -16.167 -11.436 1.00 0.00 C ATOM 0 HA PRO A 9 11.798 -12.971 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.930 -14.607 -11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.332 -14.421 -10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.049 -16.729 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.845 -16.673 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.763 -16.762 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.561 -16.590 -10.566 1.00 0.00 H new ATOM 60 N SER A 10 11.895 -14.438 -14.120 1.00 0.00 N ATOM 61 CA SER A 10 12.175 -14.210 -15.528 1.00 0.00 C ATOM 62 C SER A 10 11.267 -13.104 -16.070 1.00 0.00 C ATOM 63 O SER A 10 11.644 -12.385 -16.993 1.00 0.00 O ATOM 64 CB SER A 10 11.992 -15.494 -16.340 1.00 0.00 C ATOM 65 OG SER A 10 10.690 -16.050 -16.172 1.00 0.00 O ATOM 0 H SER A 10 11.570 -15.379 -13.896 1.00 0.00 H new ATOM 0 HA SER A 10 13.214 -13.896 -15.624 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.163 -15.283 -17.396 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.741 -16.225 -16.036 1.00 0.00 H new ATOM 0 HG SER A 10 10.612 -16.867 -16.707 1.00 0.00 H new ATOM 66 N ASN A 11 10.089 -13.004 -15.471 1.00 0.00 N ATOM 67 CA ASN A 11 9.095 -12.050 -15.933 1.00 0.00 C ATOM 68 C ASN A 11 9.634 -10.629 -15.750 1.00 0.00 C ATOM 69 O ASN A 11 9.825 -10.175 -14.622 1.00 0.00 O ATOM 70 CB ASN A 11 7.799 -12.171 -15.128 1.00 0.00 C ATOM 71 CG ASN A 11 6.649 -11.445 -15.827 1.00 0.00 C ATOM 72 OD1 ASN A 11 6.839 -10.676 -16.756 1.00 0.00 O ATOM 73 ND2 ASN A 11 5.448 -11.730 -15.330 1.00 0.00 N ATOM 0 H ASN A 11 9.801 -13.567 -14.671 1.00 0.00 H new ATOM 0 HA ASN A 11 8.889 -12.260 -16.983 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.544 -13.223 -14.998 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.945 -11.753 -14.132 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.615 -11.296 -15.728 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.360 -12.383 -14.551 1.00 0.00 H new ATOM 74 N PRO A 12 9.869 -9.951 -16.905 1.00 0.00 N ATOM 75 CA PRO A 12 10.411 -8.602 -16.883 1.00 0.00 C ATOM 76 C PRO A 12 9.345 -7.589 -16.464 1.00 0.00 C ATOM 77 O PRO A 12 9.637 -6.405 -16.303 1.00 0.00 O ATOM 78 CB PRO A 12 10.934 -8.366 -18.290 1.00 0.00 C ATOM 79 CG PRO A 12 10.253 -9.404 -19.168 1.00 0.00 C ATOM 80 CD PRO A 12 9.626 -10.446 -18.256 1.00 0.00 C ATOM 0 HA PRO A 12 11.209 -8.481 -16.150 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.703 -7.356 -18.628 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.018 -8.474 -18.327 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.492 -8.936 -19.793 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.975 -9.869 -19.839 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.559 -10.553 -18.452 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.078 -11.427 -18.406 1.00 0.00 H new ATOM 81 N CYS A 13 8.130 -8.091 -16.298 1.00 0.00 N ATOM 82 CA CYS A 13 7.004 -7.233 -15.972 1.00 0.00 C ATOM 83 C CYS A 13 7.081 -6.881 -14.485 1.00 0.00 C ATOM 84 O CYS A 13 6.727 -5.773 -14.086 1.00 0.00 O ATOM 85 CB CYS A 13 5.669 -7.887 -16.335 1.00 0.00 C ATOM 86 SG CYS A 13 5.428 -8.200 -18.122 1.00 0.00 S ATOM 0 H CYS A 13 7.901 -9.081 -16.383 1.00 0.00 H new ATOM 0 HA CYS A 13 7.058 -6.319 -16.564 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.587 -8.833 -15.800 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.860 -7.249 -15.980 1.00 0.00 H new ATOM 87 N CYS A 14 7.546 -7.846 -13.705 1.00 0.00 N ATOM 88 CA CYS A 14 7.348 -7.806 -12.266 1.00 0.00 C ATOM 89 C CYS A 14 8.657 -8.216 -11.590 1.00 0.00 C ATOM 90 O CYS A 14 9.606 -8.623 -12.260 1.00 0.00 O ATOM 91 CB CYS A 14 6.179 -8.693 -11.832 1.00 0.00 C ATOM 92 SG CYS A 14 6.548 -10.485 -11.797 1.00 0.00 S ATOM 0 H CYS A 14 8.059 -8.660 -14.042 1.00 0.00 H new ATOM 0 HA CYS A 14 7.084 -6.794 -11.960 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.856 -8.383 -10.838 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.341 -8.522 -12.508 1.00 0.00 H new ATOM 93 N ASP A 15 8.668 -8.095 -10.270 1.00 0.00 N ATOM 94 CA ASP A 15 9.731 -8.681 -9.473 1.00 0.00 C ATOM 95 C ASP A 15 11.080 -8.140 -9.953 1.00 0.00 C ATOM 96 O ASP A 15 11.130 -7.245 -10.794 1.00 0.00 O ATOM 97 CB ASP A 15 9.753 -10.204 -9.619 1.00 0.00 C ATOM 98 CG ASP A 15 10.863 -10.752 -10.519 1.00 0.00 C ATOM 99 OD1 ASP A 15 10.743 -10.752 -11.753 1.00 0.00 O ATOM 100 OD2 ASP A 15 11.901 -11.197 -9.895 1.00 0.00 O ATOM 0 H ASP A 15 7.957 -7.599 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 15 9.553 -8.421 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.857 -10.647 -8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.791 -10.530 -10.015 1.00 0.00 H new ATOM 101 N ALA A 16 12.141 -8.708 -9.397 1.00 0.00 N ATOM 102 CA ALA A 16 13.485 -8.270 -9.730 1.00 0.00 C ATOM 103 C ALA A 16 13.685 -6.835 -9.237 1.00 0.00 C ATOM 104 O ALA A 16 14.514 -6.101 -9.772 1.00 0.00 O ATOM 105 CB ALA A 16 13.707 -8.404 -11.238 1.00 0.00 C ATOM 0 H ALA A 16 12.096 -9.468 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 16 14.227 -8.896 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.716 -8.075 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.581 -9.446 -11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.982 -7.787 -11.769 1.00 0.00 H new ATOM 106 N ALA A 17 12.912 -6.479 -8.221 1.00 0.00 N ATOM 107 CA ALA A 17 12.985 -5.142 -7.659 1.00 0.00 C ATOM 108 C ALA A 17 12.419 -5.160 -6.237 1.00 0.00 C ATOM 109 O ALA A 17 13.110 -4.800 -5.285 1.00 0.00 O ATOM 110 CB ALA A 17 12.241 -4.163 -8.570 1.00 0.00 C ATOM 0 H ALA A 17 12.232 -7.094 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 17 14.021 -4.807 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.296 -3.160 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.699 -4.166 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.197 -4.465 -8.653 1.00 0.00 H new ATOM 111 N THR A 18 11.167 -5.582 -6.138 1.00 0.00 N ATOM 112 CA THR A 18 10.486 -5.612 -4.854 1.00 0.00 C ATOM 113 C THR A 18 9.289 -6.562 -4.908 1.00 0.00 C ATOM 114 O THR A 18 8.284 -6.338 -4.235 1.00 0.00 O ATOM 115 CB THR A 18 10.106 -4.176 -4.488 1.00 0.00 C ATOM 116 OG1 THR A 18 9.448 -4.301 -3.230 1.00 0.00 O ATOM 117 CG2 THR A 18 9.033 -3.599 -5.414 1.00 0.00 C ATOM 0 H THR A 18 10.606 -5.906 -6.926 1.00 0.00 H new ATOM 0 HA THR A 18 11.135 -6.002 -4.070 1.00 0.00 H new ATOM 0 HB THR A 18 10.994 -3.545 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.674 -4.895 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.801 -2.578 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.401 -3.597 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.132 -4.210 -5.352 1.00 0.00 H new ATOM 118 N CYS A 19 9.436 -7.604 -5.713 1.00 0.00 N ATOM 119 CA CYS A 19 8.427 -8.646 -5.781 1.00 0.00 C ATOM 120 C CYS A 19 7.278 -8.146 -6.659 1.00 0.00 C ATOM 121 O CYS A 19 6.781 -8.878 -7.515 1.00 0.00 O ATOM 122 CB CYS A 19 7.944 -9.058 -4.389 1.00 0.00 C ATOM 123 SG CYS A 19 6.146 -8.867 -4.112 1.00 0.00 S ATOM 0 H CYS A 19 10.240 -7.749 -6.324 1.00 0.00 H new ATOM 0 HA CYS A 19 8.858 -9.544 -6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.215 -10.100 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.477 -8.466 -3.645 1.00 0.00 H new ATOM 124 N LYS A 20 6.887 -6.904 -6.416 1.00 0.00 N ATOM 125 CA LYS A 20 5.650 -6.385 -6.974 1.00 0.00 C ATOM 126 C LYS A 20 5.883 -5.980 -8.430 1.00 0.00 C ATOM 127 O LYS A 20 6.954 -6.224 -8.983 1.00 0.00 O ATOM 128 CB LYS A 20 5.101 -5.255 -6.101 1.00 0.00 C ATOM 129 CG LYS A 20 3.583 -5.371 -5.944 1.00 0.00 C ATOM 130 CD LYS A 20 3.178 -5.301 -4.471 1.00 0.00 C ATOM 131 CE LYS A 20 3.330 -3.880 -3.926 1.00 0.00 C ATOM 132 NZ LYS A 20 3.007 -3.840 -2.482 1.00 0.00 N ATOM 0 H LYS A 20 7.406 -6.241 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 20 4.880 -7.157 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.575 -5.286 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.352 -4.292 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.094 -4.570 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.240 -6.312 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.144 -5.628 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.794 -5.985 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.350 -3.530 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.672 -3.203 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.115 -2.868 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.026 -4.154 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.652 -4.470 -1.964 1.00 0.00 H new ATOM 133 N LEU A 21 4.863 -5.365 -9.011 1.00 0.00 N ATOM 134 CA LEU A 21 4.909 -5.004 -10.418 1.00 0.00 C ATOM 135 C LEU A 21 5.790 -3.765 -10.593 1.00 0.00 C ATOM 136 O LEU A 21 5.869 -2.924 -9.700 1.00 0.00 O ATOM 137 CB LEU A 21 3.494 -4.835 -10.974 1.00 0.00 C ATOM 138 CG LEU A 21 2.510 -5.964 -10.659 1.00 0.00 C ATOM 139 CD1 LEU A 21 3.192 -7.329 -10.756 1.00 0.00 C ATOM 140 CD2 LEU A 21 1.848 -5.749 -9.296 1.00 0.00 C ATOM 0 H LEU A 21 4.000 -5.108 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 21 5.363 -5.804 -11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.082 -3.903 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.561 -4.730 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 21 1.718 -5.946 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.470 -8.113 -10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.576 -7.473 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.016 -7.375 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.153 -6.565 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.613 -5.725 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.306 -4.804 -9.300 1.00 0.00 H new ATOM 141 N ARG A 22 6.431 -3.694 -11.751 1.00 0.00 N ATOM 142 CA ARG A 22 7.302 -2.571 -12.055 1.00 0.00 C ATOM 143 C ARG A 22 6.483 -1.392 -12.582 1.00 0.00 C ATOM 144 O ARG A 22 5.343 -1.564 -13.009 1.00 0.00 O ATOM 145 CB ARG A 22 8.354 -2.959 -13.096 1.00 0.00 C ATOM 146 CG ARG A 22 7.837 -2.716 -14.516 1.00 0.00 C ATOM 147 CD ARG A 22 8.744 -3.383 -15.551 1.00 0.00 C ATOM 148 NE ARG A 22 9.979 -2.587 -15.730 1.00 0.00 N ATOM 149 CZ ARG A 22 10.964 -2.909 -16.579 1.00 0.00 C ATOM 150 NH1 ARG A 22 10.915 -4.065 -17.254 1.00 0.00 N ATOM 151 NH2 ARG A 22 11.999 -2.076 -16.752 1.00 0.00 N ATOM 0 H ARG A 22 6.365 -4.395 -12.489 1.00 0.00 H new ATOM 0 HA ARG A 22 7.807 -2.283 -11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.263 -2.381 -12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.619 -4.010 -12.976 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.824 -3.107 -14.610 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.785 -1.645 -14.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.996 -4.393 -15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.219 -3.474 -16.502 1.00 0.00 H new ATOM 0 HE ARG A 22 10.087 -1.740 -15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.128 -4.700 -17.122 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.665 -4.310 -17.900 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.037 -1.196 -16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.749 -2.322 -17.398 1.00 0.00 H new ATOM 152 N PRO A 23 7.113 -0.187 -12.532 1.00 0.00 N ATOM 153 CA PRO A 23 6.434 1.030 -12.943 1.00 0.00 C ATOM 154 C PRO A 23 6.327 1.110 -14.468 1.00 0.00 C ATOM 155 O PRO A 23 7.341 1.144 -15.164 1.00 0.00 O ATOM 156 CB PRO A 23 7.256 2.159 -12.346 1.00 0.00 C ATOM 157 CG PRO A 23 8.614 1.560 -12.017 1.00 0.00 C ATOM 158 CD PRO A 23 8.483 0.047 -12.084 1.00 0.00 C ATOM 0 HA PRO A 23 5.403 1.076 -12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.354 2.985 -13.051 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.779 2.558 -11.451 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.367 1.910 -12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.939 1.872 -11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.205 -0.383 -12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.665 -0.410 -11.111 1.00 0.00 H new ATOM 159 N GLY A 24 5.090 1.138 -14.942 1.00 0.00 N ATOM 160 CA GLY A 24 4.829 0.977 -16.362 1.00 0.00 C ATOM 161 C GLY A 24 4.041 -0.306 -16.633 1.00 0.00 C ATOM 162 O GLY A 24 3.535 -0.507 -17.736 1.00 0.00 O ATOM 0 H GLY A 24 4.257 1.270 -14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.270 1.836 -16.732 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.772 0.951 -16.908 1.00 0.00 H new ATOM 163 N ALA A 25 3.962 -1.141 -15.608 1.00 0.00 N ATOM 164 CA ALA A 25 3.208 -2.380 -15.708 1.00 0.00 C ATOM 165 C ALA A 25 2.126 -2.403 -14.626 1.00 0.00 C ATOM 166 O ALA A 25 2.415 -2.185 -13.451 1.00 0.00 O ATOM 167 CB ALA A 25 4.164 -3.569 -15.601 1.00 0.00 C ATOM 0 H ALA A 25 4.407 -0.985 -14.704 1.00 0.00 H new ATOM 0 HA ALA A 25 2.709 -2.448 -16.675 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.599 -4.498 -15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.894 -3.522 -16.409 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.681 -3.535 -14.642 1.00 0.00 H new ATOM 168 N GLN A 26 0.904 -2.670 -15.062 1.00 0.00 N ATOM 169 CA GLN A 26 -0.234 -2.649 -14.159 1.00 0.00 C ATOM 170 C GLN A 26 -0.471 -4.041 -13.572 1.00 0.00 C ATOM 171 O GLN A 26 -1.239 -4.196 -12.623 1.00 0.00 O ATOM 172 CB GLN A 26 -1.487 -2.131 -14.869 1.00 0.00 C ATOM 173 CG GLN A 26 -1.978 -0.829 -14.234 1.00 0.00 C ATOM 174 CD GLN A 26 -1.001 0.317 -14.509 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.201 0.277 -15.429 1.00 0.00 O ATOM 176 NE2 GLN A 26 -1.112 1.337 -13.662 1.00 0.00 N ATOM 0 H GLN A 26 0.677 -2.902 -16.029 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.012 -1.965 -13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.269 -1.966 -15.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.274 -2.883 -14.820 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.962 -0.576 -14.629 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.092 -0.965 -13.158 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.804 1.305 -12.913 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.505 2.151 -13.761 1.00 0.00 H new ATOM 177 N CYS A 27 0.201 -5.020 -14.160 1.00 0.00 N ATOM 178 CA CYS A 27 0.032 -6.401 -13.741 1.00 0.00 C ATOM 179 C CYS A 27 1.265 -7.191 -14.186 1.00 0.00 C ATOM 180 O CYS A 27 2.176 -6.635 -14.796 1.00 0.00 O ATOM 181 CB CYS A 27 -1.262 -7.005 -14.291 1.00 0.00 C ATOM 182 SG CYS A 27 -2.151 -8.101 -13.127 1.00 0.00 S ATOM 0 H CYS A 27 0.864 -4.884 -14.923 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.056 -6.447 -12.656 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.928 -6.194 -14.586 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.028 -7.570 -15.193 1.00 0.00 H new ATOM 183 N ALA A 28 1.252 -8.476 -13.864 1.00 0.00 N ATOM 184 CA ALA A 28 2.304 -9.371 -14.317 1.00 0.00 C ATOM 185 C ALA A 28 1.731 -10.339 -15.355 1.00 0.00 C ATOM 186 O ALA A 28 2.240 -10.431 -16.470 1.00 0.00 O ATOM 187 CB ALA A 28 2.909 -10.098 -13.114 1.00 0.00 C ATOM 0 H ALA A 28 0.530 -8.919 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 28 3.106 -8.810 -14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.698 -10.769 -13.454 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.327 -9.368 -12.420 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.134 -10.675 -12.610 1.00 0.00 H new ATOM 188 N ASP A 29 0.678 -11.036 -14.950 1.00 0.00 N ATOM 189 CA ASP A 29 0.071 -12.040 -15.808 1.00 0.00 C ATOM 190 C ASP A 29 -1.190 -12.585 -15.133 1.00 0.00 C ATOM 191 O ASP A 29 -1.437 -12.312 -13.960 1.00 0.00 O ATOM 192 CB ASP A 29 1.026 -13.212 -16.045 1.00 0.00 C ATOM 193 CG ASP A 29 0.898 -13.882 -17.414 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.311 -14.060 -17.825 1.00 0.00 O ATOM 195 OD2 ASP A 29 1.905 -14.216 -18.058 1.00 0.00 O ATOM 0 H ASP A 29 0.231 -10.925 -14.040 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.166 -11.570 -16.763 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.050 -12.857 -15.925 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.856 -13.962 -15.273 1.00 0.00 H new ATOM 196 N GLY A 30 -1.952 -13.345 -15.904 1.00 0.00 N ATOM 197 CA GLY A 30 -3.163 -13.959 -15.386 1.00 0.00 C ATOM 198 C GLY A 30 -4.197 -14.154 -16.497 1.00 0.00 C ATOM 199 O GLY A 30 -3.908 -13.916 -17.669 1.00 0.00 O ATOM 0 H GLY A 30 -1.755 -13.550 -16.884 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.923 -14.922 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.584 -13.334 -14.598 1.00 0.00 H new ATOM 200 N LEU A 31 -5.382 -14.586 -16.090 1.00 0.00 N ATOM 201 CA LEU A 31 -6.460 -14.819 -17.037 1.00 0.00 C ATOM 202 C LEU A 31 -6.992 -13.475 -17.538 1.00 0.00 C ATOM 203 O LEU A 31 -7.423 -13.362 -18.684 1.00 0.00 O ATOM 204 CB LEU A 31 -7.534 -15.712 -16.416 1.00 0.00 C ATOM 205 CG LEU A 31 -7.208 -17.205 -16.345 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.026 -17.895 -15.252 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.394 -17.873 -17.709 1.00 0.00 C ATOM 0 H LEU A 31 -5.619 -14.781 -15.117 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.092 -15.361 -17.908 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.734 -15.356 -15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.455 -15.588 -16.986 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.157 -17.312 -16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.774 -18.955 -15.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.799 -17.442 -14.287 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.089 -17.780 -15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.156 -18.934 -17.630 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.428 -17.757 -18.033 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.731 -17.405 -18.437 1.00 0.00 H new ATOM 208 N CYS A 32 -6.944 -12.488 -16.654 1.00 0.00 N ATOM 209 CA CYS A 32 -7.476 -11.173 -16.971 1.00 0.00 C ATOM 210 C CYS A 32 -6.346 -10.152 -16.828 1.00 0.00 C ATOM 211 O CYS A 32 -6.598 -8.953 -16.715 1.00 0.00 O ATOM 212 CB CYS A 32 -8.678 -10.822 -16.091 1.00 0.00 C ATOM 213 SG CYS A 32 -10.102 -11.959 -16.248 1.00 0.00 S ATOM 0 H CYS A 32 -6.545 -12.573 -15.719 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.845 -11.164 -17.996 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.356 -10.807 -15.050 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.008 -9.813 -16.337 1.00 0.00 H new ATOM 214 N CYS A 33 -5.123 -10.664 -16.839 1.00 0.00 N ATOM 215 CA CYS A 33 -3.953 -9.806 -16.759 1.00 0.00 C ATOM 216 C CYS A 33 -2.986 -10.208 -17.875 1.00 0.00 C ATOM 217 O CYS A 33 -2.560 -11.359 -17.948 1.00 0.00 O ATOM 218 CB CYS A 33 -3.293 -9.876 -15.380 1.00 0.00 C ATOM 219 SG CYS A 33 -3.809 -8.563 -14.215 1.00 0.00 S ATOM 0 H CYS A 33 -4.918 -11.661 -16.902 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.251 -8.766 -16.894 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.516 -10.846 -14.935 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.212 -9.825 -15.507 1.00 0.00 H new ATOM 220 N ASP A 34 -2.670 -9.235 -18.717 1.00 0.00 N ATOM 221 CA ASP A 34 -1.752 -9.470 -19.819 1.00 0.00 C ATOM 222 C ASP A 34 -0.324 -9.564 -19.278 1.00 0.00 C ATOM 223 O ASP A 34 -0.107 -9.475 -18.070 1.00 0.00 O ATOM 224 CB ASP A 34 -1.800 -8.322 -20.830 1.00 0.00 C ATOM 225 CG ASP A 34 -1.647 -8.741 -22.294 1.00 0.00 C ATOM 226 OD1 ASP A 34 -0.477 -9.178 -22.616 1.00 0.00 O ATOM 227 OD2 ASP A 34 -2.596 -8.654 -23.085 1.00 0.00 O ATOM 0 H ASP A 34 -3.033 -8.283 -18.659 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.047 -10.397 -20.311 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.748 -7.797 -20.716 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.010 -7.611 -20.587 1.00 0.00 H new ATOM 228 N GLN A 35 0.613 -9.745 -20.198 1.00 0.00 N ATOM 229 CA GLN A 35 2.011 -9.870 -19.826 1.00 0.00 C ATOM 230 C GLN A 35 2.609 -8.493 -19.530 1.00 0.00 C ATOM 231 O GLN A 35 3.629 -8.118 -20.105 1.00 0.00 O ATOM 232 CB GLN A 35 2.806 -10.589 -20.918 1.00 0.00 C ATOM 233 CG GLN A 35 2.663 -9.873 -22.263 1.00 0.00 C ATOM 234 CD GLN A 35 3.968 -9.932 -23.058 1.00 0.00 C ATOM 235 OE1 GLN A 35 4.704 -8.965 -23.167 1.00 0.00 O ATOM 236 NE2 GLN A 35 4.215 -11.119 -23.606 1.00 0.00 N ATOM 0 H GLN A 35 0.431 -9.808 -21.200 1.00 0.00 H new ATOM 0 HA GLN A 35 2.072 -10.472 -18.920 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.858 -10.635 -20.636 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.456 -11.617 -21.010 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.861 -10.333 -22.840 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.381 -8.833 -22.097 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.557 -11.888 -23.476 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.062 -11.260 -24.156 1.00 0.00 H new ATOM 237 N CYS A 36 1.946 -7.777 -18.634 1.00 0.00 N ATOM 238 CA CYS A 36 2.519 -6.564 -18.073 1.00 0.00 C ATOM 239 C CYS A 36 1.374 -5.640 -17.657 1.00 0.00 C ATOM 240 O CYS A 36 1.513 -4.858 -16.718 1.00 0.00 O ATOM 241 CB CYS A 36 3.474 -5.884 -19.056 1.00 0.00 C ATOM 242 SG CYS A 36 5.235 -6.337 -18.855 1.00 0.00 S ATOM 0 H CYS A 36 1.018 -8.013 -18.282 1.00 0.00 H new ATOM 0 HA CYS A 36 3.119 -6.812 -17.198 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.164 -6.131 -20.071 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.377 -4.804 -18.947 1.00 0.00 H new ATOM 243 N ARG A 37 0.266 -5.760 -18.376 1.00 0.00 N ATOM 244 CA ARG A 37 -0.872 -4.887 -18.149 1.00 0.00 C ATOM 245 C ARG A 37 -2.150 -5.714 -17.985 1.00 0.00 C ATOM 246 O ARG A 37 -2.090 -6.933 -17.832 1.00 0.00 O ATOM 247 CB ARG A 37 -1.053 -3.905 -19.308 1.00 0.00 C ATOM 248 CG ARG A 37 -1.039 -2.459 -18.807 1.00 0.00 C ATOM 249 CD ARG A 37 -0.791 -1.483 -19.959 1.00 0.00 C ATOM 250 NE ARG A 37 -1.860 -1.617 -20.974 1.00 0.00 N ATOM 251 CZ ARG A 37 -1.777 -1.133 -22.221 1.00 0.00 C ATOM 252 NH1 ARG A 37 -0.770 -0.314 -22.556 1.00 0.00 N ATOM 253 NH2 ARG A 37 -2.701 -1.466 -23.132 1.00 0.00 N ATOM 0 H ARG A 37 0.134 -6.449 -19.116 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.680 -4.322 -17.237 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.257 -4.048 -20.039 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.995 -4.108 -19.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.990 -2.227 -18.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.263 -2.340 -18.051 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.763 -0.461 -19.581 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.180 -1.682 -20.413 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.713 -2.108 -20.708 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.067 -0.059 -21.862 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.707 0.055 -23.505 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.468 -2.088 -22.877 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.638 -1.097 -24.081 1.00 0.00 H new ATOM 254 N PHE A 38 -3.276 -5.016 -18.025 1.00 0.00 N ATOM 255 CA PHE A 38 -4.568 -5.675 -17.931 1.00 0.00 C ATOM 256 C PHE A 38 -5.086 -6.066 -19.315 1.00 0.00 C ATOM 257 O PHE A 38 -4.550 -5.625 -20.330 1.00 0.00 O ATOM 258 CB PHE A 38 -5.536 -4.672 -17.300 1.00 0.00 C ATOM 259 CG PHE A 38 -5.437 -4.584 -15.776 1.00 0.00 C ATOM 260 CD1 PHE A 38 -5.737 -5.667 -15.010 1.00 0.00 C ATOM 261 CD2 PHE A 38 -5.047 -3.422 -15.186 1.00 0.00 C ATOM 262 CE1 PHE A 38 -5.645 -5.585 -13.596 1.00 0.00 C ATOM 263 CE2 PHE A 38 -4.955 -3.340 -13.772 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.256 -4.423 -13.007 1.00 0.00 C ATOM 0 H PHE A 38 -3.320 -4.002 -18.121 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.480 -6.584 -17.337 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.347 -3.685 -17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.555 -4.946 -17.572 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.045 -6.590 -15.478 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.807 -2.562 -15.794 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.884 -6.445 -12.988 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.646 -2.417 -13.304 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.186 -4.360 -11.931 1.00 0.00 H new ATOM 265 N LYS A 39 -6.125 -6.890 -19.313 1.00 0.00 N ATOM 266 CA LYS A 39 -6.716 -7.352 -20.556 1.00 0.00 C ATOM 267 C LYS A 39 -8.078 -6.682 -20.749 1.00 0.00 C ATOM 268 O LYS A 39 -9.038 -7.009 -20.055 1.00 0.00 O ATOM 269 CB LYS A 39 -6.774 -8.880 -20.586 1.00 0.00 C ATOM 270 CG LYS A 39 -5.461 -9.489 -20.089 1.00 0.00 C ATOM 271 CD LYS A 39 -5.400 -10.986 -20.393 1.00 0.00 C ATOM 272 CE LYS A 39 -5.162 -11.233 -21.885 1.00 0.00 C ATOM 273 NZ LYS A 39 -6.299 -11.973 -22.476 1.00 0.00 N ATOM 0 H LYS A 39 -6.572 -7.249 -18.469 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.095 -7.062 -21.403 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.599 -9.228 -19.964 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.975 -9.220 -21.602 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.620 -8.984 -20.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.365 -9.328 -19.015 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.601 -11.446 -19.812 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.332 -11.461 -20.086 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.032 -10.282 -22.401 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.241 -11.799 -22.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.016 -12.367 -23.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.578 -12.747 -21.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.103 -11.326 -22.608 1.00 0.00 H new ATOM 274 N LYS A 40 -8.117 -5.755 -21.695 1.00 0.00 N ATOM 275 CA LYS A 40 -9.349 -5.048 -21.999 1.00 0.00 C ATOM 276 C LYS A 40 -10.466 -6.063 -22.251 1.00 0.00 C ATOM 277 O LYS A 40 -10.202 -7.251 -22.427 1.00 0.00 O ATOM 278 CB LYS A 40 -9.134 -4.070 -23.156 1.00 0.00 C ATOM 279 CG LYS A 40 -8.312 -2.860 -22.706 1.00 0.00 C ATOM 280 CD LYS A 40 -8.223 -1.813 -23.819 1.00 0.00 C ATOM 281 CE LYS A 40 -9.440 -0.888 -23.799 1.00 0.00 C ATOM 282 NZ LYS A 40 -9.282 0.156 -22.762 1.00 0.00 N ATOM 0 H LYS A 40 -7.315 -5.477 -22.261 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.658 -4.438 -21.150 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.623 -4.577 -23.975 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.098 -3.737 -23.539 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.766 -2.416 -21.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.310 -3.182 -22.423 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.313 -1.225 -23.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.155 -2.310 -24.787 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.566 -0.422 -24.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.342 -1.468 -23.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.118 0.775 -22.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.185 -0.293 -21.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.433 0.721 -22.965 1.00 0.00 H new ATOM 283 N LYS A 41 -11.691 -5.556 -22.260 1.00 0.00 N ATOM 284 CA LYS A 41 -12.853 -6.413 -22.424 1.00 0.00 C ATOM 285 C LYS A 41 -12.680 -7.262 -23.685 1.00 0.00 C ATOM 286 O LYS A 41 -11.831 -6.969 -24.524 1.00 0.00 O ATOM 287 CB LYS A 41 -14.136 -5.581 -22.414 1.00 0.00 C ATOM 288 CG LYS A 41 -15.195 -6.217 -21.511 1.00 0.00 C ATOM 289 CD LYS A 41 -16.538 -5.498 -21.651 1.00 0.00 C ATOM 290 CE LYS A 41 -16.449 -4.063 -21.125 1.00 0.00 C ATOM 291 NZ LYS A 41 -15.984 -4.054 -19.720 1.00 0.00 N ATOM 0 H LYS A 41 -11.903 -4.564 -22.156 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.941 -7.103 -21.584 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.916 -4.571 -22.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.524 -5.492 -23.429 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.313 -7.269 -21.769 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.864 -6.178 -20.473 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.842 -5.487 -22.698 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.306 -6.043 -21.102 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.764 -3.484 -21.745 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.425 -3.583 -21.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.229 -3.144 -19.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.443 -4.827 -19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.953 -4.184 -19.695 1.00 0.00 H new ATOM 292 N ARG A 42 -13.502 -8.299 -23.777 1.00 0.00 N ATOM 293 CA ARG A 42 -13.443 -9.200 -24.915 1.00 0.00 C ATOM 294 C ARG A 42 -12.337 -10.239 -24.713 1.00 0.00 C ATOM 295 O ARG A 42 -11.915 -10.895 -25.664 1.00 0.00 O ATOM 296 CB ARG A 42 -13.181 -8.433 -26.212 1.00 0.00 C ATOM 297 CG ARG A 42 -13.792 -9.160 -27.412 1.00 0.00 C ATOM 298 CD ARG A 42 -13.393 -8.484 -28.725 1.00 0.00 C ATOM 299 NE ARG A 42 -13.915 -9.259 -29.873 1.00 0.00 N ATOM 300 CZ ARG A 42 -13.681 -8.952 -31.156 1.00 0.00 C ATOM 301 NH1 ARG A 42 -12.954 -7.869 -31.463 1.00 0.00 N ATOM 302 NH2 ARG A 42 -14.174 -9.726 -32.131 1.00 0.00 N ATOM 0 H ARG A 42 -14.211 -8.534 -23.083 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.408 -9.701 -24.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.602 -7.430 -26.137 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.107 -8.318 -26.360 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.462 -10.199 -27.419 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.878 -9.171 -27.320 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.785 -7.467 -28.754 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.308 -8.409 -28.790 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.489 -10.078 -29.675 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.579 -7.279 -30.720 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.775 -7.635 -32.440 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.728 -10.550 -31.897 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.996 -9.492 -33.108 1.00 0.00 H new ATOM 303 N THR A 43 -11.900 -10.357 -23.468 1.00 0.00 N ATOM 304 CA THR A 43 -10.934 -11.381 -23.107 1.00 0.00 C ATOM 305 C THR A 43 -11.629 -12.542 -22.392 1.00 0.00 C ATOM 306 O THR A 43 -12.446 -12.325 -21.499 1.00 0.00 O ATOM 307 CB THR A 43 -9.837 -10.721 -22.269 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.661 -10.865 -23.062 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.524 -11.504 -20.992 1.00 0.00 C ATOM 0 H THR A 43 -12.197 -9.760 -22.696 1.00 0.00 H new ATOM 0 HA THR A 43 -10.470 -11.817 -23.992 1.00 0.00 H new ATOM 0 HB THR A 43 -10.140 -9.707 -22.007 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.299 -9.979 -23.273 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.739 -10.992 -20.435 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.421 -11.571 -20.377 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.188 -12.507 -21.254 1.00 0.00 H new ATOM 310 N ILE A 44 -11.278 -13.747 -22.813 1.00 0.00 N ATOM 311 CA ILE A 44 -11.912 -14.940 -22.277 1.00 0.00 C ATOM 312 C ILE A 44 -11.180 -15.373 -21.004 1.00 0.00 C ATOM 313 O ILE A 44 -10.021 -15.783 -21.059 1.00 0.00 O ATOM 314 CB ILE A 44 -11.987 -16.033 -23.345 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.508 -15.471 -24.669 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.821 -17.220 -22.858 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.810 -14.695 -24.460 1.00 0.00 C ATOM 0 H ILE A 44 -10.563 -13.924 -23.519 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.944 -14.730 -21.996 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.978 -16.402 -23.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.757 -14.816 -25.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.675 -16.286 -25.374 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.858 -17.982 -23.636 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.367 -17.640 -21.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.833 -16.885 -22.630 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.159 -14.306 -25.416 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.566 -15.359 -24.040 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.634 -13.867 -23.774 1.00 0.00 H new ATOM 318 N CYS A 45 -11.887 -15.267 -19.889 1.00 0.00 N ATOM 319 CA CYS A 45 -11.335 -15.686 -18.612 1.00 0.00 C ATOM 320 C CYS A 45 -11.904 -17.064 -18.271 1.00 0.00 C ATOM 321 O CYS A 45 -11.321 -17.801 -17.476 1.00 0.00 O ATOM 322 CB CYS A 45 -11.621 -14.663 -17.509 1.00 0.00 C ATOM 323 SG CYS A 45 -13.161 -14.961 -16.567 1.00 0.00 S ATOM 0 H CYS A 45 -12.837 -14.897 -19.843 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.249 -15.750 -18.686 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.782 -14.655 -16.813 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.672 -13.671 -17.957 1.00 0.00 H new ATOM 324 N ARG A 46 -13.034 -17.372 -18.889 1.00 0.00 N ATOM 325 CA ARG A 46 -13.673 -18.661 -18.682 1.00 0.00 C ATOM 326 C ARG A 46 -14.385 -19.111 -19.959 1.00 0.00 C ATOM 327 O ARG A 46 -15.269 -18.416 -20.460 1.00 0.00 O ATOM 328 CB ARG A 46 -14.687 -18.594 -17.537 1.00 0.00 C ATOM 329 CG ARG A 46 -14.653 -19.874 -16.700 1.00 0.00 C ATOM 330 CD ARG A 46 -15.711 -19.837 -15.597 1.00 0.00 C ATOM 331 NE ARG A 46 -15.353 -18.818 -14.584 1.00 0.00 N ATOM 332 CZ ARG A 46 -16.179 -18.395 -13.619 1.00 0.00 C ATOM 333 NH1 ARG A 46 -17.376 -18.976 -13.459 1.00 0.00 N ATOM 334 NH2 ARG A 46 -15.809 -17.392 -12.811 1.00 0.00 N ATOM 0 H ARG A 46 -13.524 -16.752 -19.533 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.896 -19.380 -18.423 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.469 -17.735 -16.903 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.688 -18.446 -17.941 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.823 -20.738 -17.343 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.665 -19.996 -16.257 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.687 -19.608 -16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.791 -20.817 -15.126 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.418 -18.413 -14.624 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.658 -19.741 -14.072 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.005 -18.654 -12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.897 -16.950 -12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.439 -17.070 -12.076 1.00 0.00 H new ATOM 335 N ILE A 47 -13.975 -20.271 -20.450 1.00 0.00 N ATOM 336 CA ILE A 47 -14.575 -20.831 -21.649 1.00 0.00 C ATOM 337 C ILE A 47 -15.889 -21.524 -21.280 1.00 0.00 C ATOM 338 O ILE A 47 -16.085 -21.919 -20.132 1.00 0.00 O ATOM 339 CB ILE A 47 -13.581 -21.743 -22.369 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.169 -21.153 -22.332 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.041 -22.035 -23.799 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.217 -22.060 -21.549 1.00 0.00 C ATOM 0 H ILE A 47 -13.234 -20.839 -20.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.819 -20.040 -22.358 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.547 -22.695 -21.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.799 -21.022 -23.349 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.196 -20.165 -21.873 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.316 -22.686 -24.289 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.013 -22.528 -23.775 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.122 -21.100 -24.353 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.221 -21.618 -21.538 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.577 -22.169 -20.526 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.174 -23.040 -22.025 1.00 0.00 H new ATOM 343 N ALA A 48 -16.754 -21.649 -22.276 1.00 0.00 N ATOM 344 CA ALA A 48 -18.044 -22.285 -22.070 1.00 0.00 C ATOM 345 C ALA A 48 -17.912 -23.790 -22.315 1.00 0.00 C ATOM 346 O ALA A 48 -17.331 -24.211 -23.313 1.00 0.00 O ATOM 347 CB ALA A 48 -19.085 -21.635 -22.983 1.00 0.00 C ATOM 0 H ALA A 48 -16.587 -21.321 -23.227 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.380 -22.147 -21.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.053 -22.112 -22.829 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.162 -20.573 -22.749 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.783 -21.756 -24.023 1.00 0.00 H new ATOM 348 N ARG A 49 -18.461 -24.559 -21.386 1.00 0.00 N ATOM 349 CA ARG A 49 -18.434 -26.006 -21.501 1.00 0.00 C ATOM 350 C ARG A 49 -19.806 -26.530 -21.934 1.00 0.00 C ATOM 351 O ARG A 49 -20.472 -27.235 -21.178 1.00 0.00 O ATOM 352 CB ARG A 49 -18.045 -26.658 -20.172 1.00 0.00 C ATOM 353 CG ARG A 49 -17.243 -27.940 -20.405 1.00 0.00 C ATOM 354 CD ARG A 49 -18.144 -29.063 -20.924 1.00 0.00 C ATOM 355 NE ARG A 49 -17.387 -30.334 -20.982 1.00 0.00 N ATOM 356 CZ ARG A 49 -16.649 -30.722 -22.031 1.00 0.00 C ATOM 357 NH1 ARG A 49 -16.426 -29.872 -23.043 1.00 0.00 N ATOM 358 NH2 ARG A 49 -16.135 -31.959 -22.067 1.00 0.00 N ATOM 0 H ARG A 49 -18.927 -24.206 -20.550 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.688 -26.264 -22.252 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.456 -25.959 -19.578 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.943 -26.886 -19.598 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.445 -27.749 -21.122 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.768 -28.250 -19.474 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.010 -29.176 -20.272 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.521 -28.809 -21.915 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.430 -30.953 -20.173 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.818 -28.931 -23.014 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.864 -30.166 -23.842 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.306 -32.605 -21.296 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.573 -32.255 -22.865 1.00 0.00 H new ATOM 359 N GLY A 50 -20.186 -26.163 -23.149 1.00 0.00 N ATOM 360 CA GLY A 50 -21.478 -26.565 -23.681 1.00 0.00 C ATOM 361 C GLY A 50 -21.917 -25.634 -24.813 1.00 0.00 C ATOM 362 O GLY A 50 -21.092 -25.180 -25.603 1.00 0.00 O ATOM 0 H GLY A 50 -19.623 -25.592 -23.780 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -21.421 -27.589 -24.049 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -22.223 -26.553 -22.885 1.00 0.00 H new ATOM 363 N ASP A 51 -23.217 -25.378 -24.855 1.00 0.00 N ATOM 364 CA ASP A 51 -23.777 -24.520 -25.885 1.00 0.00 C ATOM 365 C ASP A 51 -24.082 -23.145 -25.287 1.00 0.00 C ATOM 366 O ASP A 51 -25.137 -22.571 -25.549 1.00 0.00 O ATOM 367 CB ASP A 51 -25.084 -25.098 -26.432 1.00 0.00 C ATOM 368 CG ASP A 51 -25.602 -24.432 -27.708 1.00 0.00 C ATOM 369 OD1 ASP A 51 -24.880 -24.633 -28.759 1.00 0.00 O ATOM 370 OD2 ASP A 51 -26.641 -23.756 -27.700 1.00 0.00 O ATOM 0 H ASP A 51 -23.898 -25.750 -24.193 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.050 -24.444 -26.693 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -24.940 -26.161 -26.628 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -25.850 -25.017 -25.661 1.00 0.00 H new ATOM 371 N PHE A 52 -23.139 -22.658 -24.494 1.00 0.00 N ATOM 372 CA PHE A 52 -23.291 -21.358 -23.863 1.00 0.00 C ATOM 373 C PHE A 52 -22.214 -20.385 -24.347 1.00 0.00 C ATOM 374 O PHE A 52 -21.180 -20.805 -24.866 1.00 0.00 O ATOM 375 CB PHE A 52 -23.129 -21.569 -22.356 1.00 0.00 C ATOM 376 CG PHE A 52 -23.648 -22.920 -21.859 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.963 -23.238 -22.001 1.00 0.00 C ATOM 378 CD2 PHE A 52 -22.794 -23.804 -21.275 1.00 0.00 C ATOM 379 CE1 PHE A 52 -25.444 -24.491 -21.539 1.00 0.00 C ATOM 380 CE2 PHE A 52 -23.276 -25.058 -20.814 1.00 0.00 C ATOM 381 CZ PHE A 52 -24.590 -25.374 -20.955 1.00 0.00 C ATOM 0 H PHE A 52 -22.267 -23.140 -24.274 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.264 -20.936 -24.112 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.074 -21.479 -22.098 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -23.655 -20.773 -21.829 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.641 -22.537 -22.465 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -21.750 -23.552 -21.162 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -26.488 -24.743 -21.651 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -22.598 -25.760 -20.351 1.00 0.00 H new ATOM 0 HZ PHE A 52 -24.957 -26.327 -20.603 1.00 0.00 H new ATOM 382 N PRO A 53 -22.499 -19.069 -24.157 1.00 0.00 N ATOM 383 CA PRO A 53 -21.546 -18.035 -24.522 1.00 0.00 C ATOM 384 C PRO A 53 -20.399 -17.967 -23.514 1.00 0.00 C ATOM 385 O PRO A 53 -20.615 -18.099 -22.310 1.00 0.00 O ATOM 386 CB PRO A 53 -22.360 -16.753 -24.583 1.00 0.00 C ATOM 387 CG PRO A 53 -23.634 -17.030 -23.801 1.00 0.00 C ATOM 388 CD PRO A 53 -23.734 -18.532 -23.591 1.00 0.00 C ATOM 0 HA PRO A 53 -21.061 -18.229 -25.479 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -21.809 -15.919 -24.148 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -22.586 -16.483 -25.614 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.614 -16.511 -22.843 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.504 -16.662 -24.345 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.825 -18.779 -22.533 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.611 -18.944 -24.091 1.00 0.00 H new ATOM 389 N ASP A 54 -19.200 -17.762 -24.042 1.00 0.00 N ATOM 390 CA ASP A 54 -18.021 -17.647 -23.201 1.00 0.00 C ATOM 391 C ASP A 54 -18.161 -16.419 -22.298 1.00 0.00 C ATOM 392 O ASP A 54 -18.918 -15.499 -22.608 1.00 0.00 O ATOM 393 CB ASP A 54 -16.757 -17.472 -24.044 1.00 0.00 C ATOM 394 CG ASP A 54 -16.822 -16.348 -25.081 1.00 0.00 C ATOM 395 OD1 ASP A 54 -16.947 -15.161 -24.590 1.00 0.00 O ATOM 396 OD2 ASP A 54 -16.756 -16.593 -26.294 1.00 0.00 O ATOM 0 H ASP A 54 -19.021 -17.673 -25.042 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.938 -18.560 -22.612 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.917 -17.282 -23.376 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.549 -18.410 -24.559 1.00 0.00 H new ATOM 397 N ASP A 55 -17.420 -16.443 -21.200 1.00 0.00 N ATOM 398 CA ASP A 55 -17.500 -15.375 -20.220 1.00 0.00 C ATOM 399 C ASP A 55 -16.275 -14.469 -20.359 1.00 0.00 C ATOM 400 O ASP A 55 -15.140 -14.938 -20.295 1.00 0.00 O ATOM 401 CB ASP A 55 -17.515 -15.933 -18.796 1.00 0.00 C ATOM 402 CG ASP A 55 -17.096 -14.944 -17.708 1.00 0.00 C ATOM 403 OD1 ASP A 55 -17.573 -13.799 -17.667 1.00 0.00 O ATOM 404 OD2 ASP A 55 -16.230 -15.394 -16.865 1.00 0.00 O ATOM 0 H ASP A 55 -16.761 -17.186 -20.968 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.421 -14.821 -20.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.520 -16.290 -18.573 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.853 -16.798 -18.754 1.00 0.00 H new ATOM 405 N ARG A 56 -16.547 -13.185 -20.546 1.00 0.00 N ATOM 406 CA ARG A 56 -15.483 -12.217 -20.749 1.00 0.00 C ATOM 407 C ARG A 56 -15.209 -11.448 -19.454 1.00 0.00 C ATOM 408 O ARG A 56 -16.056 -11.407 -18.562 1.00 0.00 O ATOM 409 CB ARG A 56 -15.844 -11.225 -21.856 1.00 0.00 C ATOM 410 CG ARG A 56 -15.642 -11.848 -23.239 1.00 0.00 C ATOM 411 CD ARG A 56 -16.839 -11.565 -24.149 1.00 0.00 C ATOM 412 NE ARG A 56 -17.971 -12.447 -23.785 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.145 -12.467 -24.430 1.00 0.00 C ATOM 414 NH1 ARG A 56 -19.390 -11.579 -25.403 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.073 -13.376 -24.103 1.00 0.00 N ATOM 0 H ARG A 56 -17.489 -12.793 -20.561 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.589 -12.766 -21.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.882 -10.911 -21.743 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.228 -10.331 -21.763 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.734 -11.449 -23.692 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.503 -12.925 -23.140 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.137 -10.521 -24.058 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.561 -11.727 -25.190 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.849 -13.079 -22.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.683 -10.888 -25.653 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.284 -11.594 -25.894 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.886 -14.053 -23.363 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.967 -13.391 -24.594 1.00 0.00 H new ATOM 416 N CYS A 57 -14.025 -10.858 -19.393 1.00 0.00 N ATOM 417 CA CYS A 57 -13.603 -10.149 -18.197 1.00 0.00 C ATOM 418 C CYS A 57 -13.949 -8.668 -18.368 1.00 0.00 C ATOM 419 O CYS A 57 -14.587 -8.286 -19.348 1.00 0.00 O ATOM 420 CB CYS A 57 -12.116 -10.358 -17.909 1.00 0.00 C ATOM 421 SG CYS A 57 -11.718 -10.758 -16.168 1.00 0.00 S ATOM 0 H CYS A 57 -13.344 -10.856 -20.153 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.132 -10.547 -17.331 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.747 -11.163 -18.545 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.575 -9.455 -18.192 1.00 0.00 H new ATOM 422 N THR A 58 -13.511 -7.875 -17.402 1.00 0.00 N ATOM 423 CA THR A 58 -13.773 -6.446 -17.431 1.00 0.00 C ATOM 424 C THR A 58 -12.550 -5.691 -17.958 1.00 0.00 C ATOM 425 O THR A 58 -12.686 -4.750 -18.737 1.00 0.00 O ATOM 426 CB THR A 58 -14.194 -6.014 -16.026 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.044 -6.266 -15.224 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.269 -6.927 -15.431 1.00 0.00 C ATOM 0 H THR A 58 -12.976 -8.195 -16.594 1.00 0.00 H new ATOM 0 HA THR A 58 -14.585 -6.206 -18.117 1.00 0.00 H new ATOM 0 HB THR A 58 -14.563 -4.989 -16.058 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.230 -6.012 -14.296 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.532 -6.577 -14.433 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.154 -6.909 -16.067 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.887 -7.946 -15.369 1.00 0.00 H new ATOM 429 N GLY A 59 -11.383 -6.132 -17.509 1.00 0.00 N ATOM 430 CA GLY A 59 -10.141 -5.485 -17.893 1.00 0.00 C ATOM 431 C GLY A 59 -9.716 -4.451 -16.847 1.00 0.00 C ATOM 432 O GLY A 59 -9.041 -3.475 -17.174 1.00 0.00 O ATOM 0 H GLY A 59 -11.273 -6.930 -16.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.357 -6.234 -18.009 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.264 -4.999 -18.861 1.00 0.00 H new ATOM 433 N LEU A 60 -10.129 -4.700 -15.613 1.00 0.00 N ATOM 434 CA LEU A 60 -9.764 -3.825 -14.512 1.00 0.00 C ATOM 435 C LEU A 60 -9.344 -4.673 -13.310 1.00 0.00 C ATOM 436 O LEU A 60 -9.221 -4.162 -12.198 1.00 0.00 O ATOM 437 CB LEU A 60 -10.901 -2.846 -14.208 1.00 0.00 C ATOM 438 CG LEU A 60 -11.244 -1.851 -15.317 1.00 0.00 C ATOM 439 CD1 LEU A 60 -12.624 -1.231 -15.091 1.00 0.00 C ATOM 440 CD2 LEU A 60 -10.153 -0.785 -15.454 1.00 0.00 C ATOM 0 H LEU A 60 -10.713 -5.495 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.906 -3.209 -14.782 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.797 -3.422 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.640 -2.284 -13.311 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.286 -2.394 -16.261 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.843 -0.527 -15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.379 -2.017 -15.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.635 -0.706 -14.136 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.421 -0.090 -16.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.056 -0.241 -14.514 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.204 -1.264 -15.696 1.00 0.00 H new ATOM 441 N SER A 61 -9.137 -5.954 -13.574 1.00 0.00 N ATOM 442 CA SER A 61 -8.807 -6.894 -12.516 1.00 0.00 C ATOM 443 C SER A 61 -8.126 -8.130 -13.105 1.00 0.00 C ATOM 444 O SER A 61 -8.162 -8.344 -14.316 1.00 0.00 O ATOM 445 CB SER A 61 -10.057 -7.299 -11.731 1.00 0.00 C ATOM 446 OG SER A 61 -10.957 -6.208 -11.558 1.00 0.00 O ATOM 0 H SER A 61 -9.191 -6.364 -14.506 1.00 0.00 H new ATOM 0 HA SER A 61 -8.119 -6.404 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.566 -8.109 -12.253 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.763 -7.684 -10.755 1.00 0.00 H new ATOM 0 HG SER A 61 -11.742 -6.508 -11.054 1.00 0.00 H new ATOM 447 N ASN A 62 -7.522 -8.912 -12.222 1.00 0.00 N ATOM 448 CA ASN A 62 -6.853 -10.132 -12.637 1.00 0.00 C ATOM 449 C ASN A 62 -7.788 -11.323 -12.414 1.00 0.00 C ATOM 450 O ASN A 62 -7.613 -12.377 -13.021 1.00 0.00 O ATOM 451 CB ASN A 62 -5.582 -10.370 -11.820 1.00 0.00 C ATOM 452 CG ASN A 62 -5.406 -11.855 -11.499 1.00 0.00 C ATOM 453 OD1 ASN A 62 -5.703 -12.322 -10.412 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.905 -12.569 -12.503 1.00 0.00 N ATOM 0 H ASN A 62 -7.482 -8.724 -11.220 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.591 -10.030 -13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.716 -10.009 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.628 -9.797 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.748 -13.570 -12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.678 -12.115 -13.388 1.00 0.00 H new ATOM 455 N ASP A 63 -8.762 -11.113 -11.539 1.00 0.00 N ATOM 456 CA ASP A 63 -9.672 -12.181 -11.164 1.00 0.00 C ATOM 457 C ASP A 63 -10.574 -12.518 -12.352 1.00 0.00 C ATOM 458 O ASP A 63 -10.605 -11.785 -13.341 1.00 0.00 O ATOM 459 CB ASP A 63 -10.566 -11.757 -9.997 1.00 0.00 C ATOM 460 CG ASP A 63 -9.911 -10.808 -8.991 1.00 0.00 C ATOM 461 OD1 ASP A 63 -8.685 -10.625 -8.991 1.00 0.00 O ATOM 462 OD2 ASP A 63 -10.726 -10.235 -8.172 1.00 0.00 O ATOM 0 H ASP A 63 -8.940 -10.220 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.076 -13.044 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.458 -11.277 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.896 -12.651 -9.468 1.00 0.00 H new ATOM 463 N CYS A 64 -11.288 -13.626 -12.218 1.00 0.00 N ATOM 464 CA CYS A 64 -12.126 -14.112 -13.300 1.00 0.00 C ATOM 465 C CYS A 64 -13.538 -14.334 -12.751 1.00 0.00 C ATOM 466 O CYS A 64 -13.864 -15.428 -12.293 1.00 0.00 O ATOM 467 CB CYS A 64 -11.554 -15.381 -13.933 1.00 0.00 C ATOM 468 SG CYS A 64 -12.677 -16.228 -15.105 1.00 0.00 S ATOM 0 H CYS A 64 -11.303 -14.201 -11.376 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.159 -13.371 -14.098 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.632 -15.126 -14.455 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.288 -16.078 -13.139 1.00 0.00 H new ATOM 469 N PRO A 65 -14.358 -13.251 -12.818 1.00 0.00 N ATOM 470 CA PRO A 65 -15.720 -13.313 -12.317 1.00 0.00 C ATOM 471 C PRO A 65 -16.621 -14.097 -13.274 1.00 0.00 C ATOM 472 O PRO A 65 -16.229 -14.389 -14.402 1.00 0.00 O ATOM 473 CB PRO A 65 -16.145 -11.863 -12.156 1.00 0.00 C ATOM 474 CG PRO A 65 -15.183 -11.048 -13.005 1.00 0.00 C ATOM 475 CD PRO A 65 -14.011 -11.945 -13.369 1.00 0.00 C ATOM 0 HA PRO A 65 -15.796 -13.845 -11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.174 -11.719 -12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.099 -11.557 -11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.680 -10.685 -13.905 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.838 -10.172 -12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.871 -11.995 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.079 -11.571 -12.944 1.00 0.00 H new ATOM 476 N ARG A 66 -17.811 -14.415 -12.788 1.00 0.00 N ATOM 477 CA ARG A 66 -18.776 -15.151 -13.589 1.00 0.00 C ATOM 478 C ARG A 66 -19.419 -14.228 -14.625 1.00 0.00 C ATOM 479 O ARG A 66 -19.256 -13.009 -14.562 1.00 0.00 O ATOM 480 CB ARG A 66 -19.869 -15.762 -12.711 1.00 0.00 C ATOM 481 CG ARG A 66 -19.270 -16.409 -11.460 1.00 0.00 C ATOM 482 CD ARG A 66 -20.233 -17.435 -10.859 1.00 0.00 C ATOM 483 NE ARG A 66 -20.034 -17.519 -9.396 1.00 0.00 N ATOM 484 CZ ARG A 66 -20.565 -16.659 -8.515 1.00 0.00 C ATOM 485 NH1 ARG A 66 -21.241 -15.586 -8.950 1.00 0.00 N ATOM 486 NH2 ARG A 66 -20.422 -16.872 -7.200 1.00 0.00 N ATOM 0 H ARG A 66 -18.130 -14.177 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.242 -15.955 -14.096 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -20.581 -14.989 -12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -20.423 -16.508 -13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.327 -16.894 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.044 -15.640 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -21.262 -17.152 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.067 -18.412 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.457 -18.278 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.351 -15.424 -9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.645 -14.932 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.909 -17.689 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.826 -16.217 -6.530 1.00 0.00 H new ATOM 487 N TRP A 67 -20.137 -14.842 -15.554 1.00 0.00 N ATOM 488 CA TRP A 67 -20.907 -14.086 -16.526 1.00 0.00 C ATOM 489 C TRP A 67 -22.111 -13.476 -15.805 1.00 0.00 C ATOM 490 O TRP A 67 -23.166 -14.103 -15.711 1.00 0.00 O ATOM 491 CB TRP A 67 -21.304 -14.964 -17.714 1.00 0.00 C ATOM 492 CG TRP A 67 -21.354 -14.218 -19.050 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.394 -13.475 -19.615 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.464 -14.176 -19.970 1.00 0.00 C ATOM 495 NE1 TRP A 67 -20.803 -12.957 -20.827 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.102 -13.398 -21.050 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.734 -14.776 -19.891 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -22.953 -13.147 -22.133 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.572 -14.515 -20.982 1.00 0.00 C ATOM 500 CH2 TRP A 67 -24.222 -13.734 -22.077 1.00 0.00 C ATOM 0 H TRP A 67 -20.201 -15.855 -15.654 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.308 -13.279 -16.948 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -20.596 -15.788 -17.796 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -22.282 -15.403 -17.518 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.422 -13.303 -19.177 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -20.253 -12.360 -21.445 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -24.038 -15.389 -19.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -22.646 -12.533 -22.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.560 -14.951 -20.972 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -24.926 -13.581 -22.881 1.00 0.00 H new