USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 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 -170:sc= -0.162 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.241 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -110:sc= 1.14 (180deg=-0.428) USER MOD Set 2.2: A 43 THR OG1 : rot 127:sc= -0.708 USER MOD Single : A 8 SER OG : rot 42:sc= 0.56 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.46) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0867) USER MOD Single : A 26 GLN : amide:sc= -0.234 K(o=-0.23,f=-11!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.34 F(o=-1.9,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 2.760 -6.822 -2.999 1.00 0.00 N ATOM 24 CA CYS A 4 3.114 -7.501 -4.234 1.00 0.00 C ATOM 25 C CYS A 4 1.881 -7.524 -5.140 1.00 0.00 C ATOM 26 O CYS A 4 0.752 -7.438 -4.659 1.00 0.00 O ATOM 27 CB CYS A 4 3.655 -8.907 -3.971 1.00 0.00 C ATOM 28 SG CYS A 4 5.183 -8.966 -2.966 1.00 0.00 S ATOM 0 HA CYS A 4 3.919 -6.960 -4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.883 -9.490 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.847 -9.392 -4.928 1.00 0.00 H new ATOM 29 N ASP A 5 2.139 -7.641 -6.434 1.00 0.00 N ATOM 30 CA ASP A 5 1.064 -7.667 -7.411 1.00 0.00 C ATOM 31 C ASP A 5 1.500 -8.497 -8.621 1.00 0.00 C ATOM 32 O ASP A 5 1.139 -8.185 -9.755 1.00 0.00 O ATOM 33 CB ASP A 5 0.731 -6.256 -7.902 1.00 0.00 C ATOM 34 CG ASP A 5 0.149 -5.323 -6.838 1.00 0.00 C ATOM 35 OD1 ASP A 5 -1.084 -5.547 -6.532 1.00 0.00 O ATOM 36 OD2 ASP A 5 0.838 -4.428 -6.328 1.00 0.00 O ATOM 0 H ASP A 5 3.076 -7.719 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 5 0.185 -8.100 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.638 -5.804 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.021 -6.332 -8.725 1.00 0.00 H new ATOM 37 N CYS A 6 2.272 -9.536 -8.338 1.00 0.00 N ATOM 38 CA CYS A 6 2.914 -10.301 -9.393 1.00 0.00 C ATOM 39 C CYS A 6 2.326 -11.714 -9.388 1.00 0.00 C ATOM 40 O CYS A 6 1.524 -12.060 -10.253 1.00 0.00 O ATOM 41 CB CYS A 6 4.436 -10.315 -9.236 1.00 0.00 C ATOM 42 SG CYS A 6 5.338 -11.177 -10.574 1.00 0.00 S ATOM 0 H CYS A 6 2.467 -9.866 -7.393 1.00 0.00 H new ATOM 0 HA CYS A 6 2.719 -9.831 -10.357 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.791 -9.286 -9.182 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.685 -10.788 -8.286 1.00 0.00 H new ATOM 43 N GLY A 7 2.751 -12.492 -8.403 1.00 0.00 N ATOM 44 CA GLY A 7 2.339 -13.884 -8.319 1.00 0.00 C ATOM 45 C GLY A 7 3.539 -14.796 -8.052 1.00 0.00 C ATOM 46 O GLY A 7 3.422 -15.786 -7.333 1.00 0.00 O ATOM 0 H GLY A 7 3.376 -12.186 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.604 -14.002 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.853 -14.180 -9.249 1.00 0.00 H new ATOM 47 N SER A 8 4.664 -14.428 -8.646 1.00 0.00 N ATOM 48 CA SER A 8 5.885 -15.199 -8.481 1.00 0.00 C ATOM 49 C SER A 8 7.090 -14.379 -8.946 1.00 0.00 C ATOM 50 O SER A 8 6.943 -13.446 -9.734 1.00 0.00 O ATOM 51 CB SER A 8 5.811 -16.518 -9.252 1.00 0.00 C ATOM 52 OG SER A 8 5.361 -17.593 -8.431 1.00 0.00 O ATOM 0 H SER A 8 4.756 -13.606 -9.243 1.00 0.00 H new ATOM 0 HA SER A 8 6.001 -15.433 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.137 -16.404 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.795 -16.758 -9.656 1.00 0.00 H new ATOM 0 HG SER A 8 4.622 -17.286 -7.866 1.00 0.00 H new ATOM 53 N PRO A 9 8.285 -14.767 -8.425 1.00 0.00 N ATOM 54 CA PRO A 9 9.506 -14.044 -8.735 1.00 0.00 C ATOM 55 C PRO A 9 9.984 -14.358 -10.154 1.00 0.00 C ATOM 56 O PRO A 9 10.413 -13.464 -10.881 1.00 0.00 O ATOM 57 CB PRO A 9 10.499 -14.470 -7.666 1.00 0.00 C ATOM 58 CG PRO A 9 9.948 -15.759 -7.076 1.00 0.00 C ATOM 59 CD PRO A 9 8.504 -15.898 -7.529 1.00 0.00 C ATOM 0 HA PRO A 9 9.368 -12.963 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.489 -14.628 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.601 -13.702 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.537 -16.614 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.006 -15.736 -5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.339 -16.846 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.819 -15.870 -6.682 1.00 0.00 H new ATOM 60 N SER A 10 9.894 -15.632 -10.505 1.00 0.00 N ATOM 61 CA SER A 10 10.412 -16.095 -11.781 1.00 0.00 C ATOM 62 C SER A 10 9.844 -15.243 -12.917 1.00 0.00 C ATOM 63 O SER A 10 10.481 -15.082 -13.956 1.00 0.00 O ATOM 64 CB SER A 10 10.081 -17.571 -12.007 1.00 0.00 C ATOM 65 OG SER A 10 10.678 -18.076 -13.200 1.00 0.00 O ATOM 0 H SER A 10 9.470 -16.358 -9.928 1.00 0.00 H new ATOM 0 HA SER A 10 11.497 -15.992 -11.767 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.426 -18.155 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.000 -17.696 -12.062 1.00 0.00 H new ATOM 0 HG SER A 10 10.444 -19.022 -13.308 1.00 0.00 H new ATOM 66 N ASN A 11 8.650 -14.719 -12.681 1.00 0.00 N ATOM 67 CA ASN A 11 7.987 -13.890 -13.672 1.00 0.00 C ATOM 68 C ASN A 11 8.946 -12.793 -14.138 1.00 0.00 C ATOM 69 O ASN A 11 9.427 -12.000 -13.330 1.00 0.00 O ATOM 70 CB ASN A 11 6.746 -13.214 -13.085 1.00 0.00 C ATOM 71 CG ASN A 11 5.572 -14.193 -13.009 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.282 -14.775 -11.977 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.917 -14.342 -14.157 1.00 0.00 N ATOM 0 H ASN A 11 8.125 -14.853 -11.817 1.00 0.00 H new ATOM 0 HA ASN A 11 7.690 -14.531 -14.502 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.972 -12.833 -12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.470 -12.357 -13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.119 -14.975 -14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.213 -13.824 -14.984 1.00 0.00 H new ATOM 74 N PRO A 12 9.204 -12.783 -15.474 1.00 0.00 N ATOM 75 CA PRO A 12 10.029 -11.747 -16.069 1.00 0.00 C ATOM 76 C PRO A 12 9.263 -10.426 -16.172 1.00 0.00 C ATOM 77 O PRO A 12 9.827 -9.406 -16.565 1.00 0.00 O ATOM 78 CB PRO A 12 10.442 -12.301 -17.423 1.00 0.00 C ATOM 79 CG PRO A 12 9.460 -13.420 -17.732 1.00 0.00 C ATOM 80 CD PRO A 12 8.717 -13.755 -16.449 1.00 0.00 C ATOM 0 HA PRO A 12 10.906 -11.511 -15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.406 -11.527 -18.189 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.465 -12.676 -17.396 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.761 -13.111 -18.509 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.987 -14.297 -18.108 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.638 -13.675 -16.584 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.923 -14.776 -16.127 1.00 0.00 H new ATOM 81 N CYS A 13 7.990 -10.488 -15.812 1.00 0.00 N ATOM 82 CA CYS A 13 7.139 -9.312 -15.864 1.00 0.00 C ATOM 83 C CYS A 13 7.515 -8.394 -14.700 1.00 0.00 C ATOM 84 O CYS A 13 7.934 -7.256 -14.911 1.00 0.00 O ATOM 85 CB CYS A 13 5.655 -9.685 -15.839 1.00 0.00 C ATOM 86 SG CYS A 13 4.762 -9.382 -17.408 1.00 0.00 S ATOM 0 H CYS A 13 7.527 -11.335 -15.483 1.00 0.00 H new ATOM 0 HA CYS A 13 7.299 -8.787 -16.806 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.564 -10.741 -15.583 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.166 -9.121 -15.044 1.00 0.00 H new ATOM 87 N CYS A 14 7.355 -8.922 -13.495 1.00 0.00 N ATOM 88 CA CYS A 14 7.692 -8.172 -12.298 1.00 0.00 C ATOM 89 C CYS A 14 9.188 -8.341 -12.030 1.00 0.00 C ATOM 90 O CYS A 14 9.868 -9.088 -12.733 1.00 0.00 O ATOM 91 CB CYS A 14 6.845 -8.607 -11.100 1.00 0.00 C ATOM 92 SG CYS A 14 7.209 -10.288 -10.473 1.00 0.00 S ATOM 0 H CYS A 14 6.996 -9.861 -13.323 1.00 0.00 H new ATOM 0 HA CYS A 14 7.469 -7.116 -12.453 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.992 -7.893 -10.290 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.793 -8.559 -11.380 1.00 0.00 H new ATOM 93 N ASP A 15 9.659 -7.636 -11.012 1.00 0.00 N ATOM 94 CA ASP A 15 11.055 -7.725 -10.622 1.00 0.00 C ATOM 95 C ASP A 15 11.180 -8.618 -9.386 1.00 0.00 C ATOM 96 O ASP A 15 10.230 -8.752 -8.615 1.00 0.00 O ATOM 97 CB ASP A 15 11.617 -6.346 -10.267 1.00 0.00 C ATOM 98 CG ASP A 15 13.137 -6.219 -10.377 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.805 -6.874 -9.487 1.00 0.00 O ATOM 100 OD2 ASP A 15 13.658 -5.531 -11.267 1.00 0.00 O ATOM 0 H ASP A 15 9.098 -7.000 -10.445 1.00 0.00 H new ATOM 0 HA ASP A 15 11.613 -8.137 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.157 -5.604 -10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.320 -6.101 -9.247 1.00 0.00 H new ATOM 101 N ALA A 16 12.357 -9.205 -9.235 1.00 0.00 N ATOM 102 CA ALA A 16 12.612 -10.097 -8.117 1.00 0.00 C ATOM 103 C ALA A 16 12.827 -9.268 -6.849 1.00 0.00 C ATOM 104 O ALA A 16 12.464 -9.695 -5.754 1.00 0.00 O ATOM 105 CB ALA A 16 13.810 -10.991 -8.439 1.00 0.00 C ATOM 0 H ALA A 16 13.146 -9.080 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 16 11.756 -10.750 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.001 -11.660 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.595 -11.580 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.689 -10.371 -8.616 1.00 0.00 H new ATOM 106 N ALA A 17 13.419 -8.097 -7.039 1.00 0.00 N ATOM 107 CA ALA A 17 13.666 -7.194 -5.927 1.00 0.00 C ATOM 108 C ALA A 17 12.525 -6.180 -5.836 1.00 0.00 C ATOM 109 O ALA A 17 12.613 -5.206 -5.091 1.00 0.00 O ATOM 110 CB ALA A 17 15.029 -6.524 -6.108 1.00 0.00 C ATOM 0 H ALA A 17 13.735 -7.753 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 17 13.695 -7.742 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.215 -5.847 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.808 -7.286 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.037 -5.961 -7.041 1.00 0.00 H new ATOM 111 N THR A 18 11.479 -6.442 -6.607 1.00 0.00 N ATOM 112 CA THR A 18 10.344 -5.537 -6.662 1.00 0.00 C ATOM 113 C THR A 18 9.091 -6.281 -7.128 1.00 0.00 C ATOM 114 O THR A 18 8.508 -5.940 -8.156 1.00 0.00 O ATOM 115 CB THR A 18 10.722 -4.360 -7.564 1.00 0.00 C ATOM 116 OG1 THR A 18 12.137 -4.462 -7.695 1.00 0.00 O ATOM 117 CG2 THR A 18 10.508 -3.007 -6.882 1.00 0.00 C ATOM 0 H THR A 18 11.394 -7.269 -7.199 1.00 0.00 H new ATOM 0 HA THR A 18 10.102 -5.145 -5.674 1.00 0.00 H new ATOM 0 HB THR A 18 10.133 -4.402 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.466 -3.737 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.791 -2.206 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.458 -2.898 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.122 -2.951 -5.983 1.00 0.00 H new ATOM 118 N CYS A 19 8.714 -7.284 -6.348 1.00 0.00 N ATOM 119 CA CYS A 19 7.492 -8.023 -6.619 1.00 0.00 C ATOM 120 C CYS A 19 6.398 -7.021 -6.992 1.00 0.00 C ATOM 121 O CYS A 19 5.462 -7.359 -7.717 1.00 0.00 O ATOM 122 CB CYS A 19 7.085 -8.896 -5.431 1.00 0.00 C ATOM 123 SG CYS A 19 6.605 -7.970 -3.926 1.00 0.00 S ATOM 0 H CYS A 19 9.233 -7.602 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 19 7.655 -8.708 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.251 -9.529 -5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.915 -9.558 -5.184 1.00 0.00 H new ATOM 124 N LYS A 20 6.551 -5.809 -6.480 1.00 0.00 N ATOM 125 CA LYS A 20 5.687 -4.712 -6.884 1.00 0.00 C ATOM 126 C LYS A 20 6.202 -4.121 -8.198 1.00 0.00 C ATOM 127 O LYS A 20 7.318 -3.609 -8.258 1.00 0.00 O ATOM 128 CB LYS A 20 5.562 -3.685 -5.757 1.00 0.00 C ATOM 129 CG LYS A 20 4.298 -2.838 -5.924 1.00 0.00 C ATOM 130 CD LYS A 20 4.232 -1.737 -4.864 1.00 0.00 C ATOM 131 CE LYS A 20 2.895 -0.996 -4.926 1.00 0.00 C ATOM 132 NZ LYS A 20 2.766 -0.265 -6.205 1.00 0.00 N ATOM 0 H LYS A 20 7.260 -5.562 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 20 4.675 -5.073 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.537 -4.197 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.439 -3.038 -5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.284 -2.392 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.417 -3.475 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.365 -2.172 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.050 -1.032 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.074 -1.706 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.821 -0.298 -4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.929 0.351 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.616 0.314 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.662 -0.945 -6.985 1.00 0.00 H new ATOM 133 N LEU A 21 5.362 -4.211 -9.219 1.00 0.00 N ATOM 134 CA LEU A 21 5.813 -3.981 -10.581 1.00 0.00 C ATOM 135 C LEU A 21 6.318 -2.543 -10.711 1.00 0.00 C ATOM 136 O LEU A 21 6.055 -1.708 -9.847 1.00 0.00 O ATOM 137 CB LEU A 21 4.709 -4.337 -11.579 1.00 0.00 C ATOM 138 CG LEU A 21 4.405 -5.828 -11.740 1.00 0.00 C ATOM 139 CD1 LEU A 21 3.108 -6.205 -11.022 1.00 0.00 C ATOM 140 CD2 LEU A 21 4.379 -6.225 -13.218 1.00 0.00 C ATOM 0 H LEU A 21 4.372 -4.440 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 21 6.651 -4.636 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.793 -3.831 -11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.985 -3.935 -12.554 1.00 0.00 H new ATOM 0 HG LEU A 21 5.209 -6.393 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.916 -7.270 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.202 -5.981 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.280 -5.633 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.161 -7.289 -13.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.608 -5.653 -13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.349 -6.015 -13.668 1.00 0.00 H new ATOM 141 N ARG A 22 7.037 -2.298 -11.797 1.00 0.00 N ATOM 142 CA ARG A 22 7.468 -0.949 -12.121 1.00 0.00 C ATOM 143 C ARG A 22 6.356 -0.198 -12.856 1.00 0.00 C ATOM 144 O ARG A 22 5.395 -0.807 -13.323 1.00 0.00 O ATOM 145 CB ARG A 22 8.724 -0.966 -12.993 1.00 0.00 C ATOM 146 CG ARG A 22 9.981 -0.757 -12.147 1.00 0.00 C ATOM 147 CD ARG A 22 11.241 -0.810 -13.015 1.00 0.00 C ATOM 148 NE ARG A 22 11.450 -2.185 -13.519 1.00 0.00 N ATOM 149 CZ ARG A 22 12.150 -3.125 -12.870 1.00 0.00 C ATOM 150 NH1 ARG A 22 12.524 -2.925 -11.599 1.00 0.00 N ATOM 151 NH2 ARG A 22 12.476 -4.267 -13.492 1.00 0.00 N ATOM 0 H ARG A 22 7.332 -3.011 -12.464 1.00 0.00 H new ATOM 0 HA ARG A 22 7.697 -0.441 -11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.791 -1.917 -13.522 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.656 -0.184 -13.750 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.926 0.205 -11.638 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.035 -1.523 -11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.146 -0.118 -13.851 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.107 -0.491 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 22 11.035 -2.433 -14.417 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.276 -2.057 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.057 -3.641 -11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.191 -4.420 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.009 -4.983 -12.998 1.00 0.00 H new ATOM 152 N PRO A 23 6.527 1.148 -12.938 1.00 0.00 N ATOM 153 CA PRO A 23 5.535 1.992 -13.582 1.00 0.00 C ATOM 154 C PRO A 23 5.608 1.856 -15.105 1.00 0.00 C ATOM 155 O PRO A 23 6.635 2.156 -15.711 1.00 0.00 O ATOM 156 CB PRO A 23 5.840 3.400 -13.097 1.00 0.00 C ATOM 157 CG PRO A 23 7.266 3.359 -12.571 1.00 0.00 C ATOM 158 CD PRO A 23 7.666 1.901 -12.420 1.00 0.00 C ATOM 0 HA PRO A 23 4.513 1.711 -13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.743 4.122 -13.908 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.144 3.703 -12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.941 3.871 -13.257 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.334 3.875 -11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.575 1.680 -12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.865 1.651 -11.378 1.00 0.00 H new ATOM 159 N GLY A 24 4.502 1.404 -15.679 1.00 0.00 N ATOM 160 CA GLY A 24 4.491 1.019 -17.080 1.00 0.00 C ATOM 161 C GLY A 24 3.768 -0.316 -17.277 1.00 0.00 C ATOM 162 O GLY A 24 3.070 -0.507 -18.271 1.00 0.00 O ATOM 0 H GLY A 24 3.608 1.296 -15.200 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.000 1.793 -17.670 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.514 0.940 -17.447 1.00 0.00 H new ATOM 163 N ALA A 25 3.961 -1.204 -16.313 1.00 0.00 N ATOM 164 CA ALA A 25 3.257 -2.474 -16.314 1.00 0.00 C ATOM 165 C ALA A 25 2.218 -2.475 -15.190 1.00 0.00 C ATOM 166 O ALA A 25 2.467 -1.946 -14.108 1.00 0.00 O ATOM 167 CB ALA A 25 4.263 -3.617 -16.178 1.00 0.00 C ATOM 0 H ALA A 25 4.595 -1.069 -15.526 1.00 0.00 H new ATOM 0 HA ALA A 25 2.727 -2.618 -17.255 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.734 -4.570 -16.179 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.961 -3.589 -17.015 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.813 -3.508 -15.243 1.00 0.00 H new ATOM 168 N GLN A 26 1.074 -3.077 -15.486 1.00 0.00 N ATOM 169 CA GLN A 26 -0.060 -3.017 -14.579 1.00 0.00 C ATOM 170 C GLN A 26 -0.165 -4.315 -13.776 1.00 0.00 C ATOM 171 O GLN A 26 -0.665 -4.314 -12.651 1.00 0.00 O ATOM 172 CB GLN A 26 -1.357 -2.736 -15.340 1.00 0.00 C ATOM 173 CG GLN A 26 -1.661 -1.237 -15.371 1.00 0.00 C ATOM 174 CD GLN A 26 -0.855 -0.537 -16.467 1.00 0.00 C ATOM 175 OE1 GLN A 26 -1.278 -0.417 -17.605 1.00 0.00 O ATOM 176 NE2 GLN A 26 0.329 -0.082 -16.063 1.00 0.00 N ATOM 0 H GLN A 26 0.909 -3.608 -16.341 1.00 0.00 H new ATOM 0 HA GLN A 26 0.099 -2.193 -13.883 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.275 -3.115 -16.359 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.183 -3.268 -14.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.726 -1.082 -15.542 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.426 -0.795 -14.403 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.624 -0.215 -15.096 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.942 0.400 -16.721 1.00 0.00 H new ATOM 177 N CYS A 27 0.312 -5.391 -14.383 1.00 0.00 N ATOM 178 CA CYS A 27 0.175 -6.709 -13.788 1.00 0.00 C ATOM 179 C CYS A 27 1.262 -7.615 -14.372 1.00 0.00 C ATOM 180 O CYS A 27 1.900 -7.264 -15.364 1.00 0.00 O ATOM 181 CB CYS A 27 -1.225 -7.284 -14.005 1.00 0.00 C ATOM 182 SG CYS A 27 -1.265 -8.909 -14.847 1.00 0.00 S ATOM 0 H CYS A 27 0.794 -5.377 -15.282 1.00 0.00 H new ATOM 0 HA CYS A 27 0.304 -6.639 -12.708 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.717 -7.380 -13.037 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.808 -6.573 -14.590 1.00 0.00 H new ATOM 183 N ALA A 28 1.438 -8.761 -13.733 1.00 0.00 N ATOM 184 CA ALA A 28 2.412 -9.735 -14.197 1.00 0.00 C ATOM 185 C ALA A 28 1.679 -10.935 -14.800 1.00 0.00 C ATOM 186 O ALA A 28 2.069 -11.441 -15.852 1.00 0.00 O ATOM 187 CB ALA A 28 3.328 -10.133 -13.039 1.00 0.00 C ATOM 0 H ALA A 28 0.923 -9.038 -12.897 1.00 0.00 H new ATOM 0 HA ALA A 28 3.041 -9.307 -14.977 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.058 -10.863 -13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.847 -9.250 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.732 -10.569 -12.237 1.00 0.00 H new ATOM 188 N ASP A 29 0.631 -11.357 -14.107 1.00 0.00 N ATOM 189 CA ASP A 29 -0.033 -12.605 -14.443 1.00 0.00 C ATOM 190 C ASP A 29 -1.547 -12.421 -14.318 1.00 0.00 C ATOM 191 O ASP A 29 -2.016 -11.654 -13.478 1.00 0.00 O ATOM 192 CB ASP A 29 0.386 -13.726 -13.489 1.00 0.00 C ATOM 193 CG ASP A 29 -0.126 -15.117 -13.863 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.450 -15.389 -15.029 1.00 0.00 O ATOM 195 OD2 ASP A 29 -0.190 -15.956 -12.883 1.00 0.00 O ATOM 0 H ASP A 29 0.226 -10.857 -13.315 1.00 0.00 H new ATOM 0 HA ASP A 29 0.248 -12.873 -15.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.475 -13.756 -13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.032 -13.482 -12.488 1.00 0.00 H new ATOM 196 N GLY A 30 -2.270 -13.138 -15.166 1.00 0.00 N ATOM 197 CA GLY A 30 -3.722 -13.077 -15.149 1.00 0.00 C ATOM 198 C GLY A 30 -4.302 -13.435 -16.519 1.00 0.00 C ATOM 199 O GLY A 30 -3.717 -13.106 -17.550 1.00 0.00 O ATOM 0 H GLY A 30 -1.878 -13.764 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.110 -13.763 -14.396 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.044 -12.075 -14.864 1.00 0.00 H new ATOM 200 N LEU A 31 -5.445 -14.105 -16.486 1.00 0.00 N ATOM 201 CA LEU A 31 -6.127 -14.483 -17.712 1.00 0.00 C ATOM 202 C LEU A 31 -6.548 -13.219 -18.466 1.00 0.00 C ATOM 203 O LEU A 31 -6.661 -13.233 -19.691 1.00 0.00 O ATOM 204 CB LEU A 31 -7.287 -15.433 -17.408 1.00 0.00 C ATOM 205 CG LEU A 31 -6.944 -16.924 -17.388 1.00 0.00 C ATOM 206 CD1 LEU A 31 -7.879 -17.689 -16.449 1.00 0.00 C ATOM 207 CD2 LEU A 31 -6.949 -17.507 -18.802 1.00 0.00 C ATOM 0 H LEU A 31 -5.916 -14.396 -15.629 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.455 -15.037 -18.367 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.707 -15.164 -16.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.068 -15.270 -18.150 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.933 -17.037 -16.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.614 -18.746 -16.453 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.781 -17.294 -15.438 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.909 -17.572 -16.786 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.702 -18.568 -18.759 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.938 -17.382 -19.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.211 -16.987 -19.413 1.00 0.00 H new ATOM 208 N CYS A 32 -6.769 -12.159 -17.703 1.00 0.00 N ATOM 209 CA CYS A 32 -7.242 -10.910 -18.276 1.00 0.00 C ATOM 210 C CYS A 32 -6.105 -9.889 -18.205 1.00 0.00 C ATOM 211 O CYS A 32 -6.334 -8.720 -17.895 1.00 0.00 O ATOM 212 CB CYS A 32 -8.505 -10.408 -17.574 1.00 0.00 C ATOM 213 SG CYS A 32 -9.862 -11.632 -17.467 1.00 0.00 S ATOM 0 H CYS A 32 -6.629 -12.139 -16.693 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.523 -11.068 -19.317 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.241 -10.090 -16.565 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.870 -9.526 -18.101 1.00 0.00 H new ATOM 214 N CYS A 33 -4.903 -10.365 -18.496 1.00 0.00 N ATOM 215 CA CYS A 33 -3.728 -9.514 -18.442 1.00 0.00 C ATOM 216 C CYS A 33 -2.830 -9.858 -19.632 1.00 0.00 C ATOM 217 O CYS A 33 -2.193 -10.911 -19.650 1.00 0.00 O ATOM 218 CB CYS A 33 -2.988 -9.656 -17.111 1.00 0.00 C ATOM 219 SG CYS A 33 -1.686 -8.404 -16.818 1.00 0.00 S ATOM 0 H CYS A 33 -4.718 -11.330 -18.770 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.030 -8.469 -18.506 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.714 -9.601 -16.300 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.536 -10.647 -17.067 1.00 0.00 H new ATOM 220 N ASP A 34 -2.810 -8.951 -20.598 1.00 0.00 N ATOM 221 CA ASP A 34 -2.039 -9.168 -21.811 1.00 0.00 C ATOM 222 C ASP A 34 -0.813 -8.252 -21.800 1.00 0.00 C ATOM 223 O ASP A 34 -0.902 -7.095 -21.393 1.00 0.00 O ATOM 224 CB ASP A 34 -2.866 -8.837 -23.055 1.00 0.00 C ATOM 225 CG ASP A 34 -2.595 -9.730 -24.268 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.468 -10.205 -24.472 1.00 0.00 O ATOM 227 OD2 ASP A 34 -3.613 -9.933 -25.032 1.00 0.00 O ATOM 0 H ASP A 34 -3.315 -8.065 -20.566 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.745 -10.217 -21.842 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.923 -8.908 -22.799 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.675 -7.801 -23.335 1.00 0.00 H new ATOM 228 N GLN A 35 0.303 -8.805 -22.253 1.00 0.00 N ATOM 229 CA GLN A 35 1.541 -8.048 -22.318 1.00 0.00 C ATOM 230 C GLN A 35 1.750 -7.261 -21.022 1.00 0.00 C ATOM 231 O GLN A 35 2.070 -6.075 -21.056 1.00 0.00 O ATOM 232 CB GLN A 35 1.552 -7.117 -23.531 1.00 0.00 C ATOM 233 CG GLN A 35 0.470 -7.514 -24.538 1.00 0.00 C ATOM 234 CD GLN A 35 0.646 -6.762 -25.859 1.00 0.00 C ATOM 235 OE1 GLN A 35 0.027 -5.742 -26.109 1.00 0.00 O ATOM 236 NE2 GLN A 35 1.522 -7.323 -26.687 1.00 0.00 N ATOM 0 H GLN A 35 0.375 -9.769 -22.579 1.00 0.00 H new ATOM 0 HA GLN A 35 2.367 -8.750 -22.433 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.392 -6.089 -23.206 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.530 -7.151 -24.011 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.513 -8.588 -24.719 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.515 -7.300 -24.122 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.006 -8.178 -26.414 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.710 -6.898 -27.595 1.00 0.00 H new ATOM 237 N CYS A 36 1.562 -7.956 -19.909 1.00 0.00 N ATOM 238 CA CYS A 36 1.976 -7.430 -18.620 1.00 0.00 C ATOM 239 C CYS A 36 1.047 -6.271 -18.252 1.00 0.00 C ATOM 240 O CYS A 36 1.341 -5.501 -17.339 1.00 0.00 O ATOM 241 CB CYS A 36 3.445 -7.004 -18.629 1.00 0.00 C ATOM 242 SG CYS A 36 4.354 -7.349 -17.078 1.00 0.00 S ATOM 0 H CYS A 36 1.129 -8.879 -19.874 1.00 0.00 H new ATOM 0 HA CYS A 36 1.897 -8.211 -17.863 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.951 -7.511 -19.451 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.497 -5.935 -18.834 1.00 0.00 H new ATOM 243 N ARG A 37 -0.054 -6.183 -18.982 1.00 0.00 N ATOM 244 CA ARG A 37 -1.016 -5.117 -18.762 1.00 0.00 C ATOM 245 C ARG A 37 -2.441 -5.636 -18.962 1.00 0.00 C ATOM 246 O ARG A 37 -2.637 -6.771 -19.391 1.00 0.00 O ATOM 247 CB ARG A 37 -0.768 -3.946 -19.715 1.00 0.00 C ATOM 248 CG ARG A 37 0.475 -3.156 -19.303 1.00 0.00 C ATOM 249 CD ARG A 37 0.771 -2.038 -20.305 1.00 0.00 C ATOM 250 NE ARG A 37 0.006 -0.823 -19.948 1.00 0.00 N ATOM 251 CZ ARG A 37 0.510 0.418 -19.977 1.00 0.00 C ATOM 252 NH1 ARG A 37 1.610 0.679 -20.697 1.00 0.00 N ATOM 253 NH2 ARG A 37 -0.086 1.400 -19.286 1.00 0.00 N ATOM 0 H ARG A 37 -0.302 -6.833 -19.728 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.894 -4.768 -17.736 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.645 -4.320 -20.731 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.636 -3.287 -19.721 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.327 -2.730 -18.311 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.332 -3.827 -19.238 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.838 -1.817 -20.311 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.507 -2.361 -21.312 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.966 -0.937 -19.662 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.064 -0.067 -21.223 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.993 1.624 -20.719 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.923 1.202 -18.738 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.298 2.345 -19.308 1.00 0.00 H new ATOM 254 N PHE A 38 -3.399 -4.780 -18.640 1.00 0.00 N ATOM 255 CA PHE A 38 -4.800 -5.133 -18.792 1.00 0.00 C ATOM 256 C PHE A 38 -5.199 -5.174 -20.269 1.00 0.00 C ATOM 257 O PHE A 38 -4.547 -4.556 -21.108 1.00 0.00 O ATOM 258 CB PHE A 38 -5.615 -4.048 -18.086 1.00 0.00 C ATOM 259 CG PHE A 38 -5.616 -4.165 -16.560 1.00 0.00 C ATOM 260 CD1 PHE A 38 -6.218 -5.226 -15.961 1.00 0.00 C ATOM 261 CD2 PHE A 38 -5.017 -3.205 -15.804 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.219 -5.335 -14.544 1.00 0.00 C ATOM 263 CE2 PHE A 38 -5.019 -3.315 -14.388 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.620 -4.376 -13.788 1.00 0.00 C ATOM 0 H PHE A 38 -3.233 -3.842 -18.274 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.982 -6.120 -18.367 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.220 -3.071 -18.365 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.644 -4.090 -18.444 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.695 -5.986 -16.562 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.541 -2.361 -16.280 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.695 -6.179 -14.068 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.542 -2.555 -13.787 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.622 -4.458 -12.711 1.00 0.00 H new ATOM 265 N LYS A 39 -6.268 -5.908 -20.540 1.00 0.00 N ATOM 266 CA LYS A 39 -6.867 -5.897 -21.863 1.00 0.00 C ATOM 267 C LYS A 39 -8.374 -5.671 -21.735 1.00 0.00 C ATOM 268 O LYS A 39 -8.998 -6.144 -20.786 1.00 0.00 O ATOM 269 CB LYS A 39 -6.499 -7.170 -22.630 1.00 0.00 C ATOM 270 CG LYS A 39 -6.646 -8.406 -21.740 1.00 0.00 C ATOM 271 CD LYS A 39 -6.566 -9.690 -22.568 1.00 0.00 C ATOM 272 CE LYS A 39 -5.813 -10.786 -21.810 1.00 0.00 C ATOM 273 NZ LYS A 39 -6.452 -12.102 -22.033 1.00 0.00 N ATOM 0 H LYS A 39 -6.735 -6.514 -19.865 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.470 -5.071 -22.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.140 -7.270 -23.506 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.473 -7.098 -22.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.862 -8.408 -20.982 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.599 -8.368 -21.213 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.572 -10.035 -22.809 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.064 -9.486 -23.514 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.775 -10.818 -22.141 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.801 -10.557 -20.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.911 -12.418 -21.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.165 -12.019 -22.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.730 -12.795 -22.315 1.00 0.00 H new ATOM 274 N LYS A 40 -8.917 -4.948 -22.703 1.00 0.00 N ATOM 275 CA LYS A 40 -10.255 -4.397 -22.566 1.00 0.00 C ATOM 276 C LYS A 40 -11.276 -5.536 -22.594 1.00 0.00 C ATOM 277 O LYS A 40 -10.910 -6.700 -22.747 1.00 0.00 O ATOM 278 CB LYS A 40 -10.503 -3.323 -23.627 1.00 0.00 C ATOM 279 CG LYS A 40 -11.049 -3.940 -24.916 1.00 0.00 C ATOM 280 CD LYS A 40 -10.033 -4.902 -25.536 1.00 0.00 C ATOM 281 CE LYS A 40 -10.496 -5.372 -26.917 1.00 0.00 C ATOM 282 NZ LYS A 40 -10.150 -4.369 -27.949 1.00 0.00 N ATOM 0 H LYS A 40 -8.455 -4.731 -23.586 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.364 -3.894 -21.605 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.209 -2.586 -23.245 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.574 -2.794 -23.838 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.977 -4.472 -24.704 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.289 -3.151 -25.628 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.065 -4.409 -25.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.896 -5.763 -24.882 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.029 -6.327 -27.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.573 -5.537 -26.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.471 -4.704 -28.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.616 -3.466 -27.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.119 -4.231 -27.967 1.00 0.00 H new ATOM 283 N LYS A 41 -12.538 -5.161 -22.444 1.00 0.00 N ATOM 284 CA LYS A 41 -13.612 -6.139 -22.422 1.00 0.00 C ATOM 285 C LYS A 41 -13.561 -6.975 -23.702 1.00 0.00 C ATOM 286 O LYS A 41 -12.734 -6.727 -24.577 1.00 0.00 O ATOM 287 CB LYS A 41 -14.959 -5.451 -22.189 1.00 0.00 C ATOM 288 CG LYS A 41 -15.945 -6.396 -21.500 1.00 0.00 C ATOM 289 CD LYS A 41 -16.810 -5.642 -20.488 1.00 0.00 C ATOM 290 CE LYS A 41 -17.809 -4.724 -21.197 1.00 0.00 C ATOM 291 NZ LYS A 41 -18.723 -4.097 -20.216 1.00 0.00 N ATOM 0 H LYS A 41 -12.841 -4.193 -22.336 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.484 -6.827 -21.586 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.815 -4.560 -21.577 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.372 -5.120 -23.142 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.582 -6.870 -22.247 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.399 -7.193 -20.995 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.347 -6.354 -19.861 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.174 -5.052 -19.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.274 -3.952 -21.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.384 -5.296 -21.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.394 -3.478 -20.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.247 -4.837 -19.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.171 -3.535 -19.537 1.00 0.00 H new ATOM 292 N ARG A 42 -14.458 -7.948 -23.771 1.00 0.00 N ATOM 293 CA ARG A 42 -14.532 -8.815 -24.935 1.00 0.00 C ATOM 294 C ARG A 42 -13.283 -9.694 -25.023 1.00 0.00 C ATOM 295 O ARG A 42 -12.796 -9.977 -26.117 1.00 0.00 O ATOM 296 CB ARG A 42 -14.666 -7.999 -26.222 1.00 0.00 C ATOM 297 CG ARG A 42 -15.873 -7.061 -26.153 1.00 0.00 C ATOM 298 CD ARG A 42 -16.286 -6.596 -27.551 1.00 0.00 C ATOM 299 NE ARG A 42 -17.571 -5.866 -27.482 1.00 0.00 N ATOM 300 CZ ARG A 42 -17.674 -4.533 -27.396 1.00 0.00 C ATOM 301 NH1 ARG A 42 -16.603 -3.798 -27.068 1.00 0.00 N ATOM 302 NH2 ARG A 42 -18.849 -3.934 -27.637 1.00 0.00 N ATOM 0 H ARG A 42 -15.139 -8.155 -23.040 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.415 -9.444 -24.824 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.758 -7.418 -26.385 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.771 -8.671 -27.074 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.708 -7.572 -25.674 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.631 -6.196 -25.535 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.514 -5.951 -27.972 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.381 -7.455 -28.216 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.432 -6.412 -27.501 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.709 -4.253 -26.884 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.682 -2.783 -27.003 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.665 -4.493 -27.886 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.927 -2.919 -27.571 1.00 0.00 H new ATOM 303 N THR A 43 -12.801 -10.101 -23.858 1.00 0.00 N ATOM 304 CA THR A 43 -11.690 -11.035 -23.794 1.00 0.00 C ATOM 305 C THR A 43 -12.110 -12.311 -23.059 1.00 0.00 C ATOM 306 O THR A 43 -12.749 -12.247 -22.011 1.00 0.00 O ATOM 307 CB THR A 43 -10.507 -10.320 -23.140 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.430 -10.525 -24.051 1.00 0.00 O ATOM 309 CG2 THR A 43 -10.043 -11.008 -21.855 1.00 0.00 C ATOM 0 H THR A 43 -13.159 -9.801 -22.951 1.00 0.00 H new ATOM 0 HA THR A 43 -11.384 -11.355 -24.790 1.00 0.00 H new ATOM 0 HB THR A 43 -10.784 -9.289 -22.920 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.027 -9.662 -24.280 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.201 -10.459 -21.432 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.862 -11.027 -21.136 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.734 -12.029 -22.080 1.00 0.00 H new ATOM 310 N ILE A 44 -11.732 -13.440 -23.640 1.00 0.00 N ATOM 311 CA ILE A 44 -12.157 -14.728 -23.119 1.00 0.00 C ATOM 312 C ILE A 44 -11.230 -15.141 -21.973 1.00 0.00 C ATOM 313 O ILE A 44 -10.037 -15.357 -22.182 1.00 0.00 O ATOM 314 CB ILE A 44 -12.242 -15.761 -24.245 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.181 -15.287 -25.355 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.644 -17.133 -23.700 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.644 -15.535 -24.978 1.00 0.00 C ATOM 0 H ILE A 44 -11.136 -13.490 -24.466 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.163 -14.658 -22.706 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.251 -15.867 -24.687 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.024 -14.224 -25.540 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.947 -15.810 -26.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.697 -17.849 -24.520 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.903 -17.467 -22.974 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.619 -17.061 -23.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.291 -15.189 -25.784 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.803 -16.601 -24.818 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.881 -14.991 -24.064 1.00 0.00 H new ATOM 318 N CYS A 45 -11.814 -15.239 -20.788 1.00 0.00 N ATOM 319 CA CYS A 45 -11.067 -15.671 -19.619 1.00 0.00 C ATOM 320 C CYS A 45 -11.365 -17.152 -19.380 1.00 0.00 C ATOM 321 O CYS A 45 -10.568 -17.858 -18.762 1.00 0.00 O ATOM 322 CB CYS A 45 -11.393 -14.818 -18.392 1.00 0.00 C ATOM 323 SG CYS A 45 -12.800 -15.422 -17.389 1.00 0.00 S ATOM 0 H CYS A 45 -12.796 -15.027 -20.612 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.000 -15.540 -19.797 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.508 -14.766 -17.757 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.609 -13.801 -18.721 1.00 0.00 H new ATOM 324 N ARG A 46 -12.514 -17.581 -19.882 1.00 0.00 N ATOM 325 CA ARG A 46 -12.912 -18.973 -19.759 1.00 0.00 C ATOM 326 C ARG A 46 -13.939 -19.328 -20.836 1.00 0.00 C ATOM 327 O ARG A 46 -14.951 -18.645 -20.982 1.00 0.00 O ATOM 328 CB ARG A 46 -13.509 -19.255 -18.379 1.00 0.00 C ATOM 329 CG ARG A 46 -13.532 -20.757 -18.089 1.00 0.00 C ATOM 330 CD ARG A 46 -12.319 -21.172 -17.253 1.00 0.00 C ATOM 331 NE ARG A 46 -11.105 -21.194 -18.099 1.00 0.00 N ATOM 332 CZ ARG A 46 -9.865 -20.986 -17.637 1.00 0.00 C ATOM 333 NH1 ARG A 46 -9.616 -21.062 -16.323 1.00 0.00 N ATOM 334 NH2 ARG A 46 -8.871 -20.702 -18.491 1.00 0.00 N ATOM 0 H ARG A 46 -13.182 -16.989 -20.375 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.020 -19.586 -19.887 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.925 -18.742 -17.614 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.522 -18.855 -18.328 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.449 -21.015 -17.559 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.539 -21.312 -19.027 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.183 -20.477 -16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.487 -22.157 -16.818 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.220 -21.379 -19.096 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.371 -21.279 -15.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.671 -20.903 -15.973 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.059 -20.644 -19.492 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.927 -20.543 -18.140 1.00 0.00 H new ATOM 335 N ILE A 47 -13.645 -20.398 -21.560 1.00 0.00 N ATOM 336 CA ILE A 47 -14.566 -20.897 -22.567 1.00 0.00 C ATOM 337 C ILE A 47 -15.619 -21.781 -21.895 1.00 0.00 C ATOM 338 O ILE A 47 -15.376 -22.338 -20.825 1.00 0.00 O ATOM 339 CB ILE A 47 -13.802 -21.597 -23.692 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.500 -20.860 -24.012 1.00 0.00 C ATOM 341 CG2 ILE A 47 -14.683 -21.768 -24.930 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.284 -21.742 -23.721 1.00 0.00 C ATOM 0 H ILE A 47 -12.782 -20.933 -21.469 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.097 -20.071 -23.040 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.531 -22.596 -23.350 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.495 -20.562 -25.061 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.441 -19.946 -23.421 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.115 -22.268 -25.714 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.556 -22.368 -24.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.007 -20.789 -25.284 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.372 -21.194 -23.957 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.279 -22.018 -22.667 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.334 -22.643 -24.332 1.00 0.00 H new ATOM 343 N ALA A 48 -16.766 -21.882 -22.550 1.00 0.00 N ATOM 344 CA ALA A 48 -17.872 -22.652 -22.008 1.00 0.00 C ATOM 345 C ALA A 48 -17.646 -24.137 -22.299 1.00 0.00 C ATOM 346 O ALA A 48 -17.174 -24.497 -23.376 1.00 0.00 O ATOM 347 CB ALA A 48 -19.188 -22.137 -22.595 1.00 0.00 C ATOM 0 H ALA A 48 -16.953 -21.443 -23.452 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.928 -22.533 -20.926 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.018 -22.714 -22.189 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.316 -21.086 -22.335 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.169 -22.243 -23.680 1.00 0.00 H new ATOM 348 N ARG A 49 -17.993 -24.958 -21.319 1.00 0.00 N ATOM 349 CA ARG A 49 -17.913 -26.399 -21.487 1.00 0.00 C ATOM 350 C ARG A 49 -19.317 -27.003 -21.569 1.00 0.00 C ATOM 351 O ARG A 49 -19.705 -27.797 -20.713 1.00 0.00 O ATOM 352 CB ARG A 49 -17.153 -27.048 -20.329 1.00 0.00 C ATOM 353 CG ARG A 49 -15.707 -26.550 -20.274 1.00 0.00 C ATOM 354 CD ARG A 49 -14.826 -27.313 -21.266 1.00 0.00 C ATOM 355 NE ARG A 49 -13.552 -26.591 -21.472 1.00 0.00 N ATOM 356 CZ ARG A 49 -13.319 -25.750 -22.488 1.00 0.00 C ATOM 357 NH1 ARG A 49 -14.341 -25.292 -23.225 1.00 0.00 N ATOM 358 NH2 ARG A 49 -12.067 -25.366 -22.768 1.00 0.00 N ATOM 0 H ARG A 49 -18.330 -24.653 -20.406 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.375 -26.595 -22.414 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.655 -26.822 -19.388 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -17.164 -28.132 -20.444 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.677 -25.484 -20.500 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.315 -26.673 -19.265 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.628 -28.317 -20.891 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.348 -27.425 -22.217 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.803 -26.743 -20.797 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.295 -25.584 -23.012 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.165 -24.651 -23.999 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.289 -25.714 -22.207 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.891 -24.725 -23.542 1.00 0.00 H new ATOM 359 N GLY A 50 -20.038 -26.605 -22.605 1.00 0.00 N ATOM 360 CA GLY A 50 -21.395 -27.086 -22.802 1.00 0.00 C ATOM 361 C GLY A 50 -22.165 -26.177 -23.761 1.00 0.00 C ATOM 362 O GLY A 50 -21.597 -25.651 -24.717 1.00 0.00 O ATOM 0 H GLY A 50 -19.709 -25.954 -23.318 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -21.371 -28.101 -23.198 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.912 -27.130 -21.843 1.00 0.00 H new ATOM 363 N ASP A 51 -23.449 -26.018 -23.472 1.00 0.00 N ATOM 364 CA ASP A 51 -24.309 -25.200 -24.310 1.00 0.00 C ATOM 365 C ASP A 51 -24.520 -23.840 -23.641 1.00 0.00 C ATOM 366 O ASP A 51 -25.635 -23.323 -23.617 1.00 0.00 O ATOM 367 CB ASP A 51 -25.680 -25.853 -24.496 1.00 0.00 C ATOM 368 CG ASP A 51 -26.576 -25.190 -25.545 1.00 0.00 C ATOM 369 OD1 ASP A 51 -26.104 -24.772 -26.613 1.00 0.00 O ATOM 370 OD2 ASP A 51 -27.823 -25.111 -25.226 1.00 0.00 O ATOM 0 H ASP A 51 -23.914 -26.442 -22.669 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.828 -25.090 -25.282 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -25.534 -26.897 -24.773 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.201 -25.847 -23.539 1.00 0.00 H new ATOM 371 N PHE A 52 -23.430 -23.300 -23.115 1.00 0.00 N ATOM 372 CA PHE A 52 -23.480 -22.005 -22.458 1.00 0.00 C ATOM 373 C PHE A 52 -22.579 -20.994 -23.172 1.00 0.00 C ATOM 374 O PHE A 52 -21.677 -21.377 -23.914 1.00 0.00 O ATOM 375 CB PHE A 52 -22.968 -22.208 -21.031 1.00 0.00 C ATOM 376 CG PHE A 52 -23.264 -23.593 -20.454 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.552 -23.994 -20.276 1.00 0.00 C ATOM 378 CD2 PHE A 52 -22.241 -24.425 -20.120 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.827 -25.280 -19.740 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.517 -25.710 -19.585 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.805 -26.111 -19.406 1.00 0.00 C ATOM 0 H PHE A 52 -22.508 -23.735 -23.131 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.499 -21.618 -22.473 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -21.891 -22.042 -21.016 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -23.416 -21.453 -20.385 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.365 -23.335 -20.542 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -21.219 -24.108 -20.262 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.849 -25.598 -19.598 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.704 -26.370 -19.320 1.00 0.00 H new ATOM 0 HZ PHE A 52 -24.015 -27.089 -18.999 1.00 0.00 H new ATOM 382 N PRO A 53 -22.863 -19.689 -22.913 1.00 0.00 N ATOM 383 CA PRO A 53 -22.055 -18.622 -23.478 1.00 0.00 C ATOM 384 C PRO A 53 -20.711 -18.508 -22.754 1.00 0.00 C ATOM 385 O PRO A 53 -20.660 -18.540 -21.525 1.00 0.00 O ATOM 386 CB PRO A 53 -22.908 -17.371 -23.345 1.00 0.00 C ATOM 387 CG PRO A 53 -23.961 -17.693 -22.298 1.00 0.00 C ATOM 388 CD PRO A 53 -23.956 -19.198 -22.080 1.00 0.00 C ATOM 0 HA PRO A 53 -21.792 -18.801 -24.521 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.303 -16.517 -23.041 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.371 -17.111 -24.297 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.744 -17.171 -21.366 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.944 -17.358 -22.630 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.796 -19.446 -21.031 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.907 -19.644 -22.371 1.00 0.00 H new ATOM 389 N ASP A 54 -19.658 -18.380 -23.546 1.00 0.00 N ATOM 390 CA ASP A 54 -18.324 -18.207 -22.995 1.00 0.00 C ATOM 391 C ASP A 54 -18.291 -16.940 -22.138 1.00 0.00 C ATOM 392 O ASP A 54 -19.103 -16.037 -22.329 1.00 0.00 O ATOM 393 CB ASP A 54 -17.285 -18.053 -24.107 1.00 0.00 C ATOM 394 CG ASP A 54 -17.631 -17.014 -25.176 1.00 0.00 C ATOM 395 OD1 ASP A 54 -18.358 -16.045 -24.913 1.00 0.00 O ATOM 396 OD2 ASP A 54 -17.112 -17.233 -26.336 1.00 0.00 O ATOM 0 H ASP A 54 -19.700 -18.392 -24.565 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.088 -19.089 -22.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.330 -17.784 -23.656 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.148 -19.019 -24.592 1.00 0.00 H new ATOM 397 N ASP A 55 -17.343 -16.916 -21.212 1.00 0.00 N ATOM 398 CA ASP A 55 -17.266 -15.830 -20.250 1.00 0.00 C ATOM 399 C ASP A 55 -16.230 -14.808 -20.721 1.00 0.00 C ATOM 400 O ASP A 55 -15.109 -15.173 -21.075 1.00 0.00 O ATOM 401 CB ASP A 55 -16.832 -16.344 -18.875 1.00 0.00 C ATOM 402 CG ASP A 55 -16.424 -15.257 -17.878 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.512 -14.459 -18.140 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.097 -15.247 -16.777 1.00 0.00 O ATOM 0 H ASP A 55 -16.623 -17.631 -21.108 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.255 -15.378 -20.172 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.650 -16.922 -18.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.994 -17.028 -19.007 1.00 0.00 H new ATOM 405 N ARG A 56 -16.639 -13.549 -20.710 1.00 0.00 N ATOM 406 CA ARG A 56 -15.733 -12.463 -21.044 1.00 0.00 C ATOM 407 C ARG A 56 -15.413 -11.636 -19.798 1.00 0.00 C ATOM 408 O ARG A 56 -16.217 -11.570 -18.870 1.00 0.00 O ATOM 409 CB ARG A 56 -16.337 -11.550 -22.113 1.00 0.00 C ATOM 410 CG ARG A 56 -16.098 -12.114 -23.515 1.00 0.00 C ATOM 411 CD ARG A 56 -17.361 -12.005 -24.373 1.00 0.00 C ATOM 412 NE ARG A 56 -18.383 -12.963 -23.893 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.558 -13.174 -24.501 1.00 0.00 C ATOM 414 NH1 ARG A 56 -19.914 -12.423 -25.552 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.379 -14.134 -24.056 1.00 0.00 N ATOM 0 H ARG A 56 -17.587 -13.256 -20.475 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.817 -12.905 -21.436 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.407 -11.439 -21.939 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.897 -10.555 -22.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.281 -11.574 -23.994 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.791 -13.158 -23.444 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.754 -10.989 -24.329 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.121 -12.209 -25.416 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.180 -13.495 -23.047 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.290 -11.690 -25.890 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.809 -12.584 -26.014 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.110 -14.704 -23.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.274 -14.295 -24.519 1.00 0.00 H new ATOM 416 N CYS A 57 -14.238 -11.025 -19.818 1.00 0.00 N ATOM 417 CA CYS A 57 -13.750 -10.302 -18.655 1.00 0.00 C ATOM 418 C CYS A 57 -14.396 -8.914 -18.647 1.00 0.00 C ATOM 419 O CYS A 57 -15.436 -8.706 -19.270 1.00 0.00 O ATOM 420 CB CYS A 57 -12.223 -10.221 -18.640 1.00 0.00 C ATOM 421 SG CYS A 57 -11.462 -10.408 -16.985 1.00 0.00 S ATOM 0 H CYS A 57 -13.609 -11.015 -20.621 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.029 -10.837 -17.747 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.825 -10.995 -19.297 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.920 -9.261 -19.058 1.00 0.00 H new ATOM 422 N THR A 58 -13.752 -8.002 -17.934 1.00 0.00 N ATOM 423 CA THR A 58 -14.264 -6.647 -17.813 1.00 0.00 C ATOM 424 C THR A 58 -13.295 -5.652 -18.455 1.00 0.00 C ATOM 425 O THR A 58 -13.678 -4.889 -19.339 1.00 0.00 O ATOM 426 CB THR A 58 -14.527 -6.371 -16.332 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.249 -6.516 -15.720 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.381 -7.458 -15.677 1.00 0.00 C ATOM 0 H THR A 58 -12.880 -8.174 -17.434 1.00 0.00 H new ATOM 0 HA THR A 58 -15.205 -6.530 -18.351 1.00 0.00 H new ATOM 0 HB THR A 58 -15.023 -5.407 -16.225 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.351 -6.511 -14.745 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.538 -7.214 -14.626 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.344 -7.518 -16.183 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.870 -8.418 -15.754 1.00 0.00 H new ATOM 429 N GLY A 59 -12.057 -5.694 -17.984 1.00 0.00 N ATOM 430 CA GLY A 59 -11.017 -4.842 -18.537 1.00 0.00 C ATOM 431 C GLY A 59 -10.177 -4.211 -17.424 1.00 0.00 C ATOM 432 O GLY A 59 -9.025 -3.842 -17.645 1.00 0.00 O ATOM 0 H GLY A 59 -11.751 -6.304 -17.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.375 -5.427 -19.196 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.469 -4.059 -19.145 1.00 0.00 H new ATOM 433 N LEU A 60 -10.787 -4.108 -16.252 1.00 0.00 N ATOM 434 CA LEU A 60 -10.142 -3.449 -15.129 1.00 0.00 C ATOM 435 C LEU A 60 -9.833 -4.484 -14.045 1.00 0.00 C ATOM 436 O LEU A 60 -9.753 -4.146 -12.865 1.00 0.00 O ATOM 437 CB LEU A 60 -10.992 -2.276 -14.635 1.00 0.00 C ATOM 438 CG LEU A 60 -12.495 -2.541 -14.516 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.152 -2.596 -15.897 1.00 0.00 C ATOM 440 CD2 LEU A 60 -12.765 -3.807 -13.701 1.00 0.00 C ATOM 0 H LEU A 60 -11.720 -4.470 -16.056 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.191 -3.015 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.619 -1.968 -13.658 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.844 -1.435 -15.312 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.948 -1.709 -13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.220 -2.785 -15.785 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.004 -1.645 -16.408 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.701 -3.397 -16.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.840 -3.973 -13.631 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.297 -4.661 -14.190 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.350 -3.690 -12.700 1.00 0.00 H new ATOM 441 N SER A 61 -9.668 -5.723 -14.485 1.00 0.00 N ATOM 442 CA SER A 61 -9.305 -6.797 -13.576 1.00 0.00 C ATOM 443 C SER A 61 -8.505 -7.867 -14.323 1.00 0.00 C ATOM 444 O SER A 61 -8.668 -8.038 -15.530 1.00 0.00 O ATOM 445 CB SER A 61 -10.546 -7.416 -12.931 1.00 0.00 C ATOM 446 OG SER A 61 -11.539 -6.438 -12.637 1.00 0.00 O ATOM 0 H SER A 61 -9.779 -6.007 -15.458 1.00 0.00 H new ATOM 0 HA SER A 61 -8.687 -6.378 -12.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.965 -8.168 -13.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.260 -7.929 -12.013 1.00 0.00 H new ATOM 0 HG SER A 61 -12.316 -6.873 -12.228 1.00 0.00 H new ATOM 447 N ASN A 62 -7.659 -8.557 -13.575 1.00 0.00 N ATOM 448 CA ASN A 62 -6.794 -9.568 -14.162 1.00 0.00 C ATOM 449 C ASN A 62 -7.384 -10.954 -13.894 1.00 0.00 C ATOM 450 O ASN A 62 -7.015 -11.927 -14.550 1.00 0.00 O ATOM 451 CB ASN A 62 -5.395 -9.522 -13.543 1.00 0.00 C ATOM 452 CG ASN A 62 -5.037 -8.101 -13.103 1.00 0.00 C ATOM 453 OD1 ASN A 62 -4.209 -7.471 -13.930 1.00 0.00 O flip ATOM 454 ND2 ASN A 62 -5.483 -7.610 -12.078 1.00 0.00 N flip ATOM 0 H ASN A 62 -7.553 -8.437 -12.568 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.722 -9.371 -15.232 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.350 -10.194 -12.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.661 -9.878 -14.266 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.115 -8.150 -11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.223 -6.660 -11.813 1.00 0.00 H new ATOM 455 N ASP A 63 -8.290 -11.001 -12.929 1.00 0.00 N ATOM 456 CA ASP A 63 -8.865 -12.265 -12.502 1.00 0.00 C ATOM 457 C ASP A 63 -9.914 -12.713 -13.522 1.00 0.00 C ATOM 458 O ASP A 63 -10.188 -12.004 -14.489 1.00 0.00 O ATOM 459 CB ASP A 63 -9.555 -12.127 -11.144 1.00 0.00 C ATOM 460 CG ASP A 63 -8.917 -11.110 -10.195 1.00 0.00 C ATOM 461 OD1 ASP A 63 -8.933 -9.897 -10.454 1.00 0.00 O ATOM 462 OD2 ASP A 63 -8.378 -11.615 -9.137 1.00 0.00 O ATOM 0 H ASP A 63 -8.640 -10.183 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.057 -12.993 -12.423 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.595 -11.845 -11.309 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.562 -13.102 -10.656 1.00 0.00 H new ATOM 463 N CYS A 64 -10.474 -13.887 -13.271 1.00 0.00 N ATOM 464 CA CYS A 64 -11.457 -14.457 -14.176 1.00 0.00 C ATOM 465 C CYS A 64 -12.707 -14.812 -13.368 1.00 0.00 C ATOM 466 O CYS A 64 -12.837 -15.935 -12.881 1.00 0.00 O ATOM 467 CB CYS A 64 -10.899 -15.668 -14.927 1.00 0.00 C ATOM 468 SG CYS A 64 -12.123 -16.566 -15.951 1.00 0.00 S ATOM 0 H CYS A 64 -10.265 -14.459 -12.453 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.717 -13.726 -14.941 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.083 -15.336 -15.569 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.473 -16.362 -14.203 1.00 0.00 H new ATOM 469 N PRO A 65 -13.617 -13.809 -13.246 1.00 0.00 N ATOM 470 CA PRO A 65 -14.855 -14.007 -12.511 1.00 0.00 C ATOM 471 C PRO A 65 -15.842 -14.852 -13.319 1.00 0.00 C ATOM 472 O PRO A 65 -15.760 -14.906 -14.545 1.00 0.00 O ATOM 473 CB PRO A 65 -15.370 -12.606 -12.222 1.00 0.00 C ATOM 474 CG PRO A 65 -14.653 -11.689 -13.200 1.00 0.00 C ATOM 475 CD PRO A 65 -13.492 -12.464 -13.801 1.00 0.00 C ATOM 0 HA PRO A 65 -14.710 -14.562 -11.584 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.450 -12.552 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.161 -12.318 -11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.336 -11.357 -13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.292 -10.795 -12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.547 -12.478 -14.890 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.536 -12.013 -13.536 1.00 0.00 H new ATOM 476 N ARG A 66 -16.753 -15.490 -12.599 1.00 0.00 N ATOM 477 CA ARG A 66 -17.747 -16.340 -13.233 1.00 0.00 C ATOM 478 C ARG A 66 -18.776 -15.488 -13.980 1.00 0.00 C ATOM 479 O ARG A 66 -19.009 -14.334 -13.622 1.00 0.00 O ATOM 480 CB ARG A 66 -18.468 -17.208 -12.201 1.00 0.00 C ATOM 481 CG ARG A 66 -17.473 -17.840 -11.225 1.00 0.00 C ATOM 482 CD ARG A 66 -18.022 -19.149 -10.652 1.00 0.00 C ATOM 483 NE ARG A 66 -17.430 -19.406 -9.320 1.00 0.00 N ATOM 484 CZ ARG A 66 -16.229 -19.969 -9.128 1.00 0.00 C ATOM 485 NH1 ARG A 66 -15.444 -20.248 -10.178 1.00 0.00 N ATOM 486 NH2 ARG A 66 -15.814 -20.254 -7.886 1.00 0.00 N ATOM 0 H ARG A 66 -16.824 -15.436 -11.583 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.227 -16.989 -13.938 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.188 -16.602 -11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.032 -17.991 -12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.529 -18.030 -11.735 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.262 -17.144 -10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.108 -19.094 -10.572 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.794 -19.975 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.970 -19.138 -8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.761 -20.032 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.530 -20.676 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.412 -20.042 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.900 -20.682 -7.739 1.00 0.00 H new ATOM 487 N TRP A 67 -19.364 -16.089 -15.003 1.00 0.00 N ATOM 488 CA TRP A 67 -20.387 -15.411 -15.781 1.00 0.00 C ATOM 489 C TRP A 67 -21.704 -15.496 -15.008 1.00 0.00 C ATOM 490 O TRP A 67 -22.401 -16.508 -15.071 1.00 0.00 O ATOM 491 CB TRP A 67 -20.482 -15.999 -17.190 1.00 0.00 C ATOM 492 CG TRP A 67 -20.694 -14.954 -18.288 1.00 0.00 C ATOM 493 CD1 TRP A 67 -19.786 -14.133 -18.833 1.00 0.00 C ATOM 494 CD2 TRP A 67 -21.937 -14.649 -18.956 1.00 0.00 C ATOM 495 NE1 TRP A 67 -20.350 -13.325 -19.799 1.00 0.00 N ATOM 496 CE2 TRP A 67 -21.699 -13.649 -19.876 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.219 -15.201 -18.788 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -22.695 -13.114 -20.701 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.204 -14.654 -19.620 1.00 0.00 C ATOM 500 CH2 TRP A 67 -23.980 -13.647 -20.551 1.00 0.00 C ATOM 0 H TRP A 67 -19.152 -17.038 -15.312 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.133 -14.360 -15.920 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.569 -16.555 -17.403 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.304 -16.714 -17.220 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -18.744 -14.107 -18.552 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -19.866 -12.620 -20.354 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.428 -15.984 -18.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -22.483 -12.332 -21.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.208 -15.042 -19.532 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -24.794 -13.277 -21.156 1.00 0.00 H new