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+ -168:sc= 1.34 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 130:sc= 1.01 USER MOD Set 2.1: A 8 SER OG : rot -147:sc= 1.21 USER MOD Set 2.2: A 11 ASN : amide:sc= 0.635 K(o=1.8,f=-0.93) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.23) USER MOD Single : A 35 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0726) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 61 SER OG : rot 180:sc= -0.308 USER MOD Single : A 62 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 2.339 -6.747 -4.262 1.00 0.00 N ATOM 24 CA CYS A 4 2.602 -8.128 -4.632 1.00 0.00 C ATOM 25 C CYS A 4 1.455 -8.613 -5.521 1.00 0.00 C ATOM 26 O CYS A 4 0.298 -8.609 -5.105 1.00 0.00 O ATOM 27 CB CYS A 4 2.786 -9.018 -3.402 1.00 0.00 C ATOM 28 SG CYS A 4 4.359 -8.766 -2.501 1.00 0.00 S ATOM 0 HA CYS A 4 3.540 -8.187 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.958 -8.841 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.725 -10.061 -3.713 1.00 0.00 H new ATOM 29 N ASP A 5 1.816 -9.019 -6.729 1.00 0.00 N ATOM 30 CA ASP A 5 0.846 -9.591 -7.648 1.00 0.00 C ATOM 31 C ASP A 5 1.584 -10.316 -8.775 1.00 0.00 C ATOM 32 O ASP A 5 1.277 -10.119 -9.950 1.00 0.00 O ATOM 33 CB ASP A 5 -0.024 -8.502 -8.277 1.00 0.00 C ATOM 34 CG ASP A 5 -1.296 -9.006 -8.963 1.00 0.00 C ATOM 35 OD1 ASP A 5 -2.228 -9.398 -8.162 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.391 -9.023 -10.199 1.00 0.00 O ATOM 0 H ASP A 5 2.767 -8.963 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 5 0.214 -10.279 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.305 -7.790 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.574 -7.958 -9.008 1.00 0.00 H new ATOM 37 N CYS A 6 2.542 -11.141 -8.378 1.00 0.00 N ATOM 38 CA CYS A 6 3.376 -11.838 -9.342 1.00 0.00 C ATOM 39 C CYS A 6 3.772 -13.191 -8.745 1.00 0.00 C ATOM 40 O CYS A 6 3.825 -13.343 -7.525 1.00 0.00 O ATOM 41 CB CYS A 6 4.600 -11.009 -9.736 1.00 0.00 C ATOM 42 SG CYS A 6 5.524 -11.644 -11.182 1.00 0.00 S ATOM 0 H CYS A 6 2.759 -11.342 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 6 2.815 -11.998 -10.263 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.278 -9.989 -9.948 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.277 -10.959 -8.883 1.00 0.00 H new ATOM 43 N GLY A 7 4.039 -14.138 -9.632 1.00 0.00 N ATOM 44 CA GLY A 7 4.453 -15.464 -9.208 1.00 0.00 C ATOM 45 C GLY A 7 5.636 -15.961 -10.041 1.00 0.00 C ATOM 46 O GLY A 7 5.751 -17.155 -10.313 1.00 0.00 O ATOM 0 H GLY A 7 3.977 -14.013 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.729 -15.443 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.618 -16.158 -9.305 1.00 0.00 H new ATOM 47 N SER A 8 6.487 -15.020 -10.423 1.00 0.00 N ATOM 48 CA SER A 8 7.677 -15.352 -11.187 1.00 0.00 C ATOM 49 C SER A 8 8.745 -14.275 -10.987 1.00 0.00 C ATOM 50 O SER A 8 8.469 -13.086 -11.139 1.00 0.00 O ATOM 51 CB SER A 8 7.351 -15.507 -12.674 1.00 0.00 C ATOM 52 OG SER A 8 8.524 -15.477 -13.483 1.00 0.00 O ATOM 0 H SER A 8 6.376 -14.027 -10.217 1.00 0.00 H new ATOM 0 HA SER A 8 8.061 -16.306 -10.825 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.824 -16.448 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.677 -14.708 -12.983 1.00 0.00 H new ATOM 0 HG SER A 8 8.316 -15.060 -14.345 1.00 0.00 H new ATOM 53 N PRO A 9 9.974 -14.741 -10.640 1.00 0.00 N ATOM 54 CA PRO A 9 11.106 -13.841 -10.505 1.00 0.00 C ATOM 55 C PRO A 9 11.623 -13.399 -11.876 1.00 0.00 C ATOM 56 O PRO A 9 11.918 -12.224 -12.083 1.00 0.00 O ATOM 57 CB PRO A 9 12.137 -14.621 -9.705 1.00 0.00 C ATOM 58 CG PRO A 9 11.735 -16.082 -9.821 1.00 0.00 C ATOM 59 CD PRO A 9 10.318 -16.134 -10.368 1.00 0.00 C ATOM 0 HA PRO A 9 10.846 -12.913 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.141 -14.460 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.148 -14.300 -8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.419 -16.615 -10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.787 -16.570 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.265 -16.739 -11.273 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.631 -16.578 -9.647 1.00 0.00 H new ATOM 60 N SER A 10 11.716 -14.367 -12.777 1.00 0.00 N ATOM 61 CA SER A 10 12.284 -14.114 -14.090 1.00 0.00 C ATOM 62 C SER A 10 11.421 -13.102 -14.847 1.00 0.00 C ATOM 63 O SER A 10 11.922 -12.366 -15.696 1.00 0.00 O ATOM 64 CB SER A 10 12.411 -15.409 -14.894 1.00 0.00 C ATOM 65 OG SER A 10 12.951 -15.181 -16.192 1.00 0.00 O ATOM 0 H SER A 10 11.408 -15.327 -12.623 1.00 0.00 H new ATOM 0 HA SER A 10 13.284 -13.702 -13.956 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.048 -16.110 -14.354 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.430 -15.876 -14.986 1.00 0.00 H new ATOM 0 HG SER A 10 13.018 -16.032 -16.673 1.00 0.00 H new ATOM 66 N ASN A 11 10.139 -13.097 -14.512 1.00 0.00 N ATOM 67 CA ASN A 11 9.202 -12.192 -15.153 1.00 0.00 C ATOM 68 C ASN A 11 9.750 -10.765 -15.085 1.00 0.00 C ATOM 69 O ASN A 11 9.946 -10.222 -13.999 1.00 0.00 O ATOM 70 CB ASN A 11 7.845 -12.211 -14.446 1.00 0.00 C ATOM 71 CG ASN A 11 6.860 -13.128 -15.174 1.00 0.00 C ATOM 72 OD1 ASN A 11 7.166 -14.256 -15.525 1.00 0.00 O ATOM 73 ND2 ASN A 11 5.665 -12.583 -15.379 1.00 0.00 N ATOM 0 H ASN A 11 9.728 -13.706 -13.805 1.00 0.00 H new ATOM 0 HA ASN A 11 9.075 -12.516 -16.186 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.971 -12.550 -13.418 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.440 -11.200 -14.401 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.937 -13.115 -15.856 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.476 -11.633 -15.059 1.00 0.00 H new ATOM 74 N PRO A 12 9.987 -10.182 -16.291 1.00 0.00 N ATOM 75 CA PRO A 12 10.495 -8.823 -16.379 1.00 0.00 C ATOM 76 C PRO A 12 9.395 -7.806 -16.065 1.00 0.00 C ATOM 77 O PRO A 12 9.658 -6.608 -15.987 1.00 0.00 O ATOM 78 CB PRO A 12 11.035 -8.696 -17.794 1.00 0.00 C ATOM 79 CG PRO A 12 10.396 -9.824 -18.587 1.00 0.00 C ATOM 80 CD PRO A 12 9.780 -10.799 -17.598 1.00 0.00 C ATOM 0 HA PRO A 12 11.278 -8.618 -15.649 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.783 -7.726 -18.223 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.122 -8.777 -17.806 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.635 -9.433 -19.262 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.141 -10.326 -19.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.720 -10.951 -17.800 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.259 -11.776 -17.655 1.00 0.00 H new ATOM 81 N CYS A 13 8.187 -8.323 -15.895 1.00 0.00 N ATOM 82 CA CYS A 13 7.054 -7.479 -15.553 1.00 0.00 C ATOM 83 C CYS A 13 7.131 -7.154 -14.060 1.00 0.00 C ATOM 84 O CYS A 13 6.528 -6.186 -13.600 1.00 0.00 O ATOM 85 CB CYS A 13 5.725 -8.139 -15.926 1.00 0.00 C ATOM 86 SG CYS A 13 5.499 -8.453 -17.714 1.00 0.00 S ATOM 0 H CYS A 13 7.968 -9.315 -15.988 1.00 0.00 H new ATOM 0 HA CYS A 13 7.099 -6.554 -16.128 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.643 -9.086 -15.392 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.910 -7.505 -15.577 1.00 0.00 H new ATOM 87 N CYS A 14 7.877 -7.983 -13.344 1.00 0.00 N ATOM 88 CA CYS A 14 7.891 -7.913 -11.892 1.00 0.00 C ATOM 89 C CYS A 14 9.334 -7.693 -11.435 1.00 0.00 C ATOM 90 O CYS A 14 10.266 -7.815 -12.229 1.00 0.00 O ATOM 91 CB CYS A 14 7.276 -9.164 -11.261 1.00 0.00 C ATOM 92 SG CYS A 14 5.953 -9.952 -12.249 1.00 0.00 S ATOM 0 H CYS A 14 8.476 -8.706 -13.742 1.00 0.00 H new ATOM 0 HA CYS A 14 7.275 -7.077 -11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.067 -9.894 -11.091 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.872 -8.899 -10.284 1.00 0.00 H new ATOM 93 N ASP A 15 9.474 -7.372 -10.158 1.00 0.00 N ATOM 94 CA ASP A 15 10.791 -7.243 -9.558 1.00 0.00 C ATOM 95 C ASP A 15 10.881 -8.155 -8.332 1.00 0.00 C ATOM 96 O ASP A 15 9.920 -8.276 -7.574 1.00 0.00 O ATOM 97 CB ASP A 15 11.049 -5.807 -9.099 1.00 0.00 C ATOM 98 CG ASP A 15 12.504 -5.344 -9.209 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.349 -5.693 -8.371 1.00 0.00 O ATOM 100 OD2 ASP A 15 12.760 -4.584 -10.219 1.00 0.00 O ATOM 0 H ASP A 15 8.697 -7.197 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 15 11.531 -7.520 -10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.424 -5.136 -9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.730 -5.710 -8.061 1.00 0.00 H new ATOM 101 N ALA A 16 12.043 -8.771 -8.177 1.00 0.00 N ATOM 102 CA ALA A 16 12.251 -9.714 -7.091 1.00 0.00 C ATOM 103 C ALA A 16 13.035 -9.029 -5.969 1.00 0.00 C ATOM 104 O ALA A 16 13.907 -9.640 -5.354 1.00 0.00 O ATOM 105 CB ALA A 16 12.963 -10.958 -7.624 1.00 0.00 C ATOM 0 H ALA A 16 12.851 -8.636 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 16 11.296 -10.038 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.119 -11.665 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.352 -11.424 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.927 -10.673 -8.046 1.00 0.00 H new ATOM 106 N ALA A 17 12.696 -7.769 -5.737 1.00 0.00 N ATOM 107 CA ALA A 17 13.361 -6.993 -4.705 1.00 0.00 C ATOM 108 C ALA A 17 12.393 -6.763 -3.542 1.00 0.00 C ATOM 109 O ALA A 17 12.689 -7.121 -2.403 1.00 0.00 O ATOM 110 CB ALA A 17 13.876 -5.682 -5.303 1.00 0.00 C ATOM 0 H ALA A 17 11.969 -7.267 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 17 14.223 -7.534 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.375 -5.100 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.582 -5.900 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.038 -5.111 -5.703 1.00 0.00 H new ATOM 111 N THR A 18 11.255 -6.168 -3.871 1.00 0.00 N ATOM 112 CA THR A 18 10.276 -5.816 -2.857 1.00 0.00 C ATOM 113 C THR A 18 8.932 -6.482 -3.160 1.00 0.00 C ATOM 114 O THR A 18 7.914 -6.136 -2.562 1.00 0.00 O ATOM 115 CB THR A 18 10.195 -4.290 -2.787 1.00 0.00 C ATOM 116 OG1 THR A 18 11.556 -3.869 -2.821 1.00 0.00 O ATOM 117 CG2 THR A 18 9.685 -3.792 -1.433 1.00 0.00 C ATOM 0 H THR A 18 10.990 -5.921 -4.825 1.00 0.00 H new ATOM 0 HA THR A 18 10.573 -6.185 -1.875 1.00 0.00 H new ATOM 0 HB THR A 18 9.540 -3.924 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.597 -2.891 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.647 -2.703 -1.437 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.686 -4.190 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.358 -4.129 -0.644 1.00 0.00 H new ATOM 118 N CYS A 19 8.972 -7.425 -4.090 1.00 0.00 N ATOM 119 CA CYS A 19 7.769 -8.140 -4.483 1.00 0.00 C ATOM 120 C CYS A 19 6.739 -7.117 -4.967 1.00 0.00 C ATOM 121 O CYS A 19 5.667 -6.984 -4.379 1.00 0.00 O ATOM 122 CB CYS A 19 7.225 -9.002 -3.343 1.00 0.00 C ATOM 123 SG CYS A 19 5.656 -9.868 -3.717 1.00 0.00 S ATOM 0 H CYS A 19 9.818 -7.711 -4.583 1.00 0.00 H new ATOM 0 HA CYS A 19 8.002 -8.831 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.978 -9.743 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.075 -8.370 -2.468 1.00 0.00 H new ATOM 124 N LYS A 20 7.101 -6.420 -6.034 1.00 0.00 N ATOM 125 CA LYS A 20 6.183 -5.488 -6.666 1.00 0.00 C ATOM 126 C LYS A 20 6.377 -5.537 -8.183 1.00 0.00 C ATOM 127 O LYS A 20 7.325 -6.149 -8.672 1.00 0.00 O ATOM 128 CB LYS A 20 6.345 -4.088 -6.070 1.00 0.00 C ATOM 129 CG LYS A 20 6.017 -4.087 -4.576 1.00 0.00 C ATOM 130 CD LYS A 20 5.927 -2.659 -4.035 1.00 0.00 C ATOM 131 CE LYS A 20 5.846 -2.655 -2.508 1.00 0.00 C ATOM 132 NZ LYS A 20 5.476 -1.310 -2.012 1.00 0.00 N ATOM 0 H LYS A 20 8.018 -6.482 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 20 5.151 -5.776 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.367 -3.740 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.690 -3.389 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.072 -4.604 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.784 -4.638 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.798 -2.089 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.049 -2.164 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.110 -3.387 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.806 -2.953 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.425 -1.325 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.193 -0.619 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.550 -1.040 -2.400 1.00 0.00 H new ATOM 133 N LEU A 21 5.463 -4.884 -8.886 1.00 0.00 N ATOM 134 CA LEU A 21 5.522 -4.845 -10.337 1.00 0.00 C ATOM 135 C LEU A 21 6.460 -3.719 -10.776 1.00 0.00 C ATOM 136 O LEU A 21 6.864 -2.890 -9.962 1.00 0.00 O ATOM 137 CB LEU A 21 4.115 -4.738 -10.928 1.00 0.00 C ATOM 138 CG LEU A 21 3.301 -6.034 -10.962 1.00 0.00 C ATOM 139 CD1 LEU A 21 3.750 -6.933 -12.116 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.364 -6.756 -9.615 1.00 0.00 C ATOM 0 H LEU A 21 4.677 -4.378 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 21 5.937 -5.775 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.557 -3.997 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.198 -4.358 -11.946 1.00 0.00 H new ATOM 0 HG LEU A 21 2.257 -5.777 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.156 -7.847 -12.118 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.611 -6.408 -13.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.803 -7.185 -11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.778 -7.673 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.400 -7.000 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.959 -6.110 -8.836 1.00 0.00 H new ATOM 141 N ARG A 22 6.781 -3.726 -12.062 1.00 0.00 N ATOM 142 CA ARG A 22 7.578 -2.658 -12.640 1.00 0.00 C ATOM 143 C ARG A 22 6.686 -1.474 -13.018 1.00 0.00 C ATOM 144 O ARG A 22 5.465 -1.607 -13.078 1.00 0.00 O ATOM 145 CB ARG A 22 8.326 -3.141 -13.884 1.00 0.00 C ATOM 146 CG ARG A 22 9.796 -3.424 -13.565 1.00 0.00 C ATOM 147 CD ARG A 22 9.945 -4.732 -12.785 1.00 0.00 C ATOM 148 NE ARG A 22 11.373 -4.985 -12.489 1.00 0.00 N ATOM 149 CZ ARG A 22 12.190 -5.695 -13.279 1.00 0.00 C ATOM 150 NH1 ARG A 22 11.818 -5.994 -14.531 1.00 0.00 N ATOM 151 NH2 ARG A 22 13.378 -6.107 -12.816 1.00 0.00 N ATOM 0 H ARG A 22 6.503 -4.455 -12.720 1.00 0.00 H new ATOM 0 HA ARG A 22 8.305 -2.345 -11.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.853 -4.045 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.259 -2.387 -14.668 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.368 -3.481 -14.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.211 -2.600 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.377 -4.678 -11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.533 -5.559 -13.363 1.00 0.00 H new ATOM 0 HE ARG A 22 11.759 -4.594 -11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.913 -5.681 -14.883 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.440 -6.534 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.660 -5.880 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.000 -6.647 -13.417 1.00 0.00 H new ATOM 152 N PRO A 23 7.347 -0.313 -13.268 1.00 0.00 N ATOM 153 CA PRO A 23 6.631 0.882 -13.681 1.00 0.00 C ATOM 154 C PRO A 23 6.189 0.779 -15.142 1.00 0.00 C ATOM 155 O PRO A 23 7.022 0.670 -16.040 1.00 0.00 O ATOM 156 CB PRO A 23 7.601 2.027 -13.433 1.00 0.00 C ATOM 157 CG PRO A 23 8.978 1.392 -13.332 1.00 0.00 C ATOM 158 CD PRO A 23 8.789 -0.107 -13.165 1.00 0.00 C ATOM 0 HA PRO A 23 5.707 1.032 -13.123 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.564 2.753 -14.245 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.349 2.561 -12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.563 1.606 -14.226 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.527 1.804 -12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.324 -0.662 -13.936 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.170 -0.449 -12.203 1.00 0.00 H new ATOM 159 N GLY A 24 4.878 0.818 -15.334 1.00 0.00 N ATOM 160 CA GLY A 24 4.305 0.536 -16.639 1.00 0.00 C ATOM 161 C GLY A 24 3.748 -0.888 -16.697 1.00 0.00 C ATOM 162 O GLY A 24 3.344 -1.357 -17.760 1.00 0.00 O ATOM 0 H GLY A 24 4.197 1.041 -14.608 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.510 1.250 -16.853 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.065 0.665 -17.409 1.00 0.00 H new ATOM 163 N ALA A 25 3.744 -1.535 -15.541 1.00 0.00 N ATOM 164 CA ALA A 25 3.182 -2.871 -15.433 1.00 0.00 C ATOM 165 C ALA A 25 2.224 -2.922 -14.241 1.00 0.00 C ATOM 166 O ALA A 25 2.587 -2.536 -13.131 1.00 0.00 O ATOM 167 CB ALA A 25 4.315 -3.893 -15.315 1.00 0.00 C ATOM 0 H ALA A 25 4.121 -1.159 -14.671 1.00 0.00 H new ATOM 0 HA ALA A 25 2.610 -3.120 -16.326 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.894 -4.895 -15.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.950 -3.836 -16.199 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.909 -3.676 -14.427 1.00 0.00 H new ATOM 168 N GLN A 26 1.019 -3.402 -14.512 1.00 0.00 N ATOM 169 CA GLN A 26 -0.023 -3.423 -13.499 1.00 0.00 C ATOM 170 C GLN A 26 -0.116 -4.811 -12.863 1.00 0.00 C ATOM 171 O GLN A 26 -0.515 -4.942 -11.707 1.00 0.00 O ATOM 172 CB GLN A 26 -1.369 -2.998 -14.089 1.00 0.00 C ATOM 173 CG GLN A 26 -2.337 -2.561 -12.987 1.00 0.00 C ATOM 174 CD GLN A 26 -1.955 -1.185 -12.438 1.00 0.00 C ATOM 175 OE1 GLN A 26 -1.303 -1.056 -11.414 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.395 -0.167 -13.172 1.00 0.00 N ATOM 0 H GLN A 26 0.741 -3.779 -15.418 1.00 0.00 H new ATOM 0 HA GLN A 26 0.238 -2.705 -12.721 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.219 -2.179 -14.793 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.802 -3.826 -14.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.353 -2.530 -13.381 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.330 -3.294 -12.180 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.936 -0.345 -14.018 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.192 0.792 -12.889 1.00 0.00 H new ATOM 177 N CYS A 27 0.259 -5.812 -13.646 1.00 0.00 N ATOM 178 CA CYS A 27 0.124 -7.193 -13.211 1.00 0.00 C ATOM 179 C CYS A 27 1.144 -8.038 -13.976 1.00 0.00 C ATOM 180 O CYS A 27 1.831 -7.536 -14.865 1.00 0.00 O ATOM 181 CB CYS A 27 -1.303 -7.709 -13.402 1.00 0.00 C ATOM 182 SG CYS A 27 -1.943 -7.583 -15.111 1.00 0.00 S ATOM 0 H CYS A 27 0.656 -5.695 -14.578 1.00 0.00 H new ATOM 0 HA CYS A 27 0.325 -7.262 -12.142 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.341 -8.753 -13.091 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.967 -7.154 -12.739 1.00 0.00 H new ATOM 183 N ALA A 28 1.211 -9.308 -13.604 1.00 0.00 N ATOM 184 CA ALA A 28 2.211 -10.201 -14.164 1.00 0.00 C ATOM 185 C ALA A 28 1.594 -10.987 -15.323 1.00 0.00 C ATOM 186 O ALA A 28 2.064 -10.899 -16.457 1.00 0.00 O ATOM 187 CB ALA A 28 2.754 -11.115 -13.064 1.00 0.00 C ATOM 0 H ALA A 28 0.588 -9.740 -12.921 1.00 0.00 H new ATOM 0 HA ALA A 28 3.053 -9.634 -14.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.504 -11.785 -13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.207 -10.510 -12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.938 -11.703 -12.643 1.00 0.00 H new ATOM 188 N ASP A 29 0.552 -11.738 -14.999 1.00 0.00 N ATOM 189 CA ASP A 29 -0.088 -12.594 -15.983 1.00 0.00 C ATOM 190 C ASP A 29 -1.386 -13.155 -15.397 1.00 0.00 C ATOM 191 O ASP A 29 -1.547 -13.214 -14.179 1.00 0.00 O ATOM 192 CB ASP A 29 0.811 -13.775 -16.354 1.00 0.00 C ATOM 193 CG ASP A 29 1.126 -13.904 -17.845 1.00 0.00 C ATOM 194 OD1 ASP A 29 2.042 -13.106 -18.280 1.00 0.00 O ATOM 195 OD2 ASP A 29 0.528 -14.725 -18.556 1.00 0.00 O ATOM 0 H ASP A 29 0.135 -11.771 -14.069 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.284 -11.996 -16.873 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.749 -13.684 -15.806 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.333 -14.695 -16.018 1.00 0.00 H new ATOM 196 N GLY A 30 -2.279 -13.551 -16.292 1.00 0.00 N ATOM 197 CA GLY A 30 -3.556 -14.108 -15.879 1.00 0.00 C ATOM 198 C GLY A 30 -4.500 -14.260 -17.073 1.00 0.00 C ATOM 199 O GLY A 30 -4.100 -14.044 -18.216 1.00 0.00 O ATOM 0 H GLY A 30 -2.144 -13.497 -17.302 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.398 -15.079 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.013 -13.462 -15.129 1.00 0.00 H new ATOM 200 N LEU A 31 -5.735 -14.630 -16.767 1.00 0.00 N ATOM 201 CA LEU A 31 -6.741 -14.806 -17.801 1.00 0.00 C ATOM 202 C LEU A 31 -7.201 -13.434 -18.297 1.00 0.00 C ATOM 203 O LEU A 31 -7.641 -13.298 -19.438 1.00 0.00 O ATOM 204 CB LEU A 31 -7.881 -15.691 -17.294 1.00 0.00 C ATOM 205 CG LEU A 31 -7.564 -17.182 -17.159 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.548 -17.868 -16.209 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.525 -17.860 -18.530 1.00 0.00 C ATOM 0 H LEU A 31 -6.062 -14.813 -15.818 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.319 -15.330 -18.658 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.199 -15.318 -16.320 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.729 -15.580 -17.970 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.571 -17.282 -16.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.300 -18.927 -16.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.484 -17.407 -15.224 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.562 -17.760 -16.595 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.298 -18.919 -18.406 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.494 -17.751 -19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.755 -17.393 -19.145 1.00 0.00 H new ATOM 208 N CYS A 32 -7.083 -12.452 -17.416 1.00 0.00 N ATOM 209 CA CYS A 32 -7.562 -11.113 -17.719 1.00 0.00 C ATOM 210 C CYS A 32 -6.397 -10.137 -17.546 1.00 0.00 C ATOM 211 O CYS A 32 -6.607 -8.932 -17.415 1.00 0.00 O ATOM 212 CB CYS A 32 -8.761 -10.731 -16.850 1.00 0.00 C ATOM 213 SG CYS A 32 -10.217 -11.825 -17.027 1.00 0.00 S ATOM 0 H CYS A 32 -6.663 -12.556 -16.492 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.917 -11.075 -18.749 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.449 -10.731 -15.806 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.059 -9.711 -17.094 1.00 0.00 H new ATOM 214 N CYS A 33 -5.194 -10.693 -17.551 1.00 0.00 N ATOM 215 CA CYS A 33 -3.996 -9.887 -17.387 1.00 0.00 C ATOM 216 C CYS A 33 -3.032 -10.222 -18.527 1.00 0.00 C ATOM 217 O CYS A 33 -2.714 -11.388 -18.752 1.00 0.00 O ATOM 218 CB CYS A 33 -3.354 -10.100 -16.015 1.00 0.00 C ATOM 219 SG CYS A 33 -1.658 -9.434 -15.850 1.00 0.00 S ATOM 0 H CYS A 33 -5.023 -11.692 -17.666 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.257 -8.830 -17.432 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.986 -9.637 -15.258 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.332 -11.169 -15.802 1.00 0.00 H new ATOM 220 N ASP A 34 -2.595 -9.178 -19.216 1.00 0.00 N ATOM 221 CA ASP A 34 -1.607 -9.337 -20.269 1.00 0.00 C ATOM 222 C ASP A 34 -0.232 -9.572 -19.642 1.00 0.00 C ATOM 223 O ASP A 34 -0.104 -9.629 -18.420 1.00 0.00 O ATOM 224 CB ASP A 34 -1.522 -8.082 -21.139 1.00 0.00 C ATOM 225 CG ASP A 34 -1.226 -8.338 -22.618 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.908 -9.137 -23.277 1.00 0.00 O ATOM 227 OD2 ASP A 34 -0.234 -7.668 -23.100 1.00 0.00 O ATOM 0 H ASP A 34 -2.907 -8.219 -19.065 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.906 -10.184 -20.886 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.465 -7.540 -21.061 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.746 -7.431 -20.736 1.00 0.00 H new ATOM 228 N GLN A 35 0.764 -9.702 -20.507 1.00 0.00 N ATOM 229 CA GLN A 35 2.119 -9.966 -20.055 1.00 0.00 C ATOM 230 C GLN A 35 2.773 -8.675 -19.556 1.00 0.00 C ATOM 231 O GLN A 35 3.881 -8.337 -19.969 1.00 0.00 O ATOM 232 CB GLN A 35 2.952 -10.609 -21.165 1.00 0.00 C ATOM 233 CG GLN A 35 2.990 -9.718 -22.408 1.00 0.00 C ATOM 234 CD GLN A 35 4.382 -9.721 -23.043 1.00 0.00 C ATOM 235 OE1 GLN A 35 4.627 -10.346 -24.061 1.00 0.00 O ATOM 236 NE2 GLN A 35 5.278 -8.989 -22.386 1.00 0.00 N ATOM 0 H GLN A 35 0.659 -9.629 -21.519 1.00 0.00 H new ATOM 0 HA GLN A 35 2.073 -10.672 -19.225 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.967 -10.784 -20.808 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.532 -11.581 -21.423 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.255 -10.068 -23.133 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.712 -8.699 -22.138 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.006 -8.490 -21.539 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.236 -8.927 -22.729 1.00 0.00 H new ATOM 237 N CYS A 36 2.059 -7.991 -18.674 1.00 0.00 N ATOM 238 CA CYS A 36 2.641 -6.878 -17.942 1.00 0.00 C ATOM 239 C CYS A 36 1.505 -5.969 -17.468 1.00 0.00 C ATOM 240 O CYS A 36 1.581 -5.389 -16.386 1.00 0.00 O ATOM 241 CB CYS A 36 3.665 -6.119 -18.788 1.00 0.00 C ATOM 242 SG CYS A 36 5.407 -6.592 -18.492 1.00 0.00 S ATOM 0 H CYS A 36 1.083 -8.186 -18.450 1.00 0.00 H new ATOM 0 HA CYS A 36 3.189 -7.254 -17.078 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.434 -6.278 -19.841 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.555 -5.052 -18.595 1.00 0.00 H new ATOM 243 N ARG A 37 0.479 -5.874 -18.300 1.00 0.00 N ATOM 244 CA ARG A 37 -0.579 -4.904 -18.076 1.00 0.00 C ATOM 245 C ARG A 37 -1.947 -5.587 -18.133 1.00 0.00 C ATOM 246 O ARG A 37 -2.038 -6.779 -18.422 1.00 0.00 O ATOM 247 CB ARG A 37 -0.531 -3.786 -19.120 1.00 0.00 C ATOM 248 CG ARG A 37 0.575 -2.779 -18.795 1.00 0.00 C ATOM 249 CD ARG A 37 0.073 -1.708 -17.824 1.00 0.00 C ATOM 250 NE ARG A 37 -0.728 -0.699 -18.554 1.00 0.00 N ATOM 251 CZ ARG A 37 -1.258 0.393 -17.986 1.00 0.00 C ATOM 252 NH1 ARG A 37 -1.117 0.599 -16.670 1.00 0.00 N ATOM 253 NH2 ARG A 37 -1.928 1.279 -18.735 1.00 0.00 N ATOM 0 H ARG A 37 0.358 -6.453 -19.131 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.427 -4.470 -17.088 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.360 -4.213 -20.108 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.493 -3.276 -19.156 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.428 -3.299 -18.359 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.924 -2.307 -19.714 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.531 -2.168 -17.042 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.918 -1.227 -17.332 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.886 -0.844 -19.551 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.606 -0.075 -16.100 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.520 1.430 -16.238 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.035 1.122 -19.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.332 2.110 -18.303 1.00 0.00 H new ATOM 254 N PHE A 38 -2.977 -4.802 -17.853 1.00 0.00 N ATOM 255 CA PHE A 38 -4.339 -5.301 -17.923 1.00 0.00 C ATOM 256 C PHE A 38 -4.749 -5.573 -19.372 1.00 0.00 C ATOM 257 O PHE A 38 -4.101 -5.099 -20.304 1.00 0.00 O ATOM 258 CB PHE A 38 -5.245 -4.213 -17.345 1.00 0.00 C ATOM 259 CG PHE A 38 -5.438 -4.304 -15.830 1.00 0.00 C ATOM 260 CD1 PHE A 38 -4.556 -5.010 -15.073 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.491 -3.678 -15.239 1.00 0.00 C ATOM 262 CE1 PHE A 38 -4.734 -5.095 -13.667 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.670 -3.762 -13.833 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.787 -4.469 -13.077 1.00 0.00 C ATOM 0 H PHE A 38 -2.895 -3.823 -17.577 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.422 -6.236 -17.368 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.825 -3.237 -17.590 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.220 -4.271 -17.829 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.719 -5.507 -15.542 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.191 -3.117 -15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.034 -5.656 -13.067 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.506 -3.265 -13.364 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.923 -4.533 -12.007 1.00 0.00 H new ATOM 265 N LYS A 39 -5.824 -6.334 -19.517 1.00 0.00 N ATOM 266 CA LYS A 39 -6.379 -6.602 -20.833 1.00 0.00 C ATOM 267 C LYS A 39 -7.606 -5.715 -21.054 1.00 0.00 C ATOM 268 O LYS A 39 -8.003 -4.966 -20.163 1.00 0.00 O ATOM 269 CB LYS A 39 -6.663 -8.097 -21.000 1.00 0.00 C ATOM 270 CG LYS A 39 -5.415 -8.929 -20.696 1.00 0.00 C ATOM 271 CD LYS A 39 -5.593 -10.374 -21.165 1.00 0.00 C ATOM 272 CE LYS A 39 -5.285 -10.508 -22.658 1.00 0.00 C ATOM 273 NZ LYS A 39 -6.238 -11.438 -23.302 1.00 0.00 N ATOM 0 H LYS A 39 -6.325 -6.773 -18.745 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.658 -6.349 -21.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.473 -8.394 -20.334 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.998 -8.296 -22.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.549 -8.487 -21.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.214 -8.912 -19.625 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.935 -11.029 -20.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.615 -10.700 -20.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.342 -9.530 -23.136 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.266 -10.870 -22.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.899 -11.676 -24.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.313 -12.306 -22.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.172 -10.986 -23.369 1.00 0.00 H new ATOM 274 N LYS A 40 -8.171 -5.829 -22.247 1.00 0.00 N ATOM 275 CA LYS A 40 -9.364 -5.071 -22.585 1.00 0.00 C ATOM 276 C LYS A 40 -10.567 -6.015 -22.628 1.00 0.00 C ATOM 277 O LYS A 40 -10.404 -7.234 -22.653 1.00 0.00 O ATOM 278 CB LYS A 40 -9.151 -4.287 -23.882 1.00 0.00 C ATOM 279 CG LYS A 40 -7.993 -3.298 -23.741 1.00 0.00 C ATOM 280 CD LYS A 40 -7.845 -2.443 -25.001 1.00 0.00 C ATOM 281 CE LYS A 40 -6.564 -1.608 -24.950 1.00 0.00 C ATOM 282 NZ LYS A 40 -6.632 -0.619 -23.851 1.00 0.00 N ATOM 0 H LYS A 40 -7.825 -6.435 -22.991 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.571 -4.324 -21.818 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.946 -4.978 -24.699 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.063 -3.750 -24.140 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.163 -2.654 -22.878 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.067 -3.841 -23.555 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.829 -3.086 -25.881 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.708 -1.785 -25.102 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.703 -2.261 -24.807 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.420 -1.094 -25.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.801 0.005 -23.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.498 -0.051 -23.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.645 -1.116 -22.937 1.00 0.00 H new ATOM 283 N LYS A 41 -11.749 -5.416 -22.634 1.00 0.00 N ATOM 284 CA LYS A 41 -12.978 -6.187 -22.708 1.00 0.00 C ATOM 285 C LYS A 41 -12.925 -7.108 -23.928 1.00 0.00 C ATOM 286 O LYS A 41 -12.096 -6.920 -24.817 1.00 0.00 O ATOM 287 CB LYS A 41 -14.194 -5.259 -22.690 1.00 0.00 C ATOM 288 CG LYS A 41 -15.457 -6.017 -22.277 1.00 0.00 C ATOM 289 CD LYS A 41 -16.476 -5.076 -21.631 1.00 0.00 C ATOM 290 CE LYS A 41 -17.691 -5.851 -21.119 1.00 0.00 C ATOM 291 NZ LYS A 41 -18.592 -4.958 -20.356 1.00 0.00 N ATOM 0 H LYS A 41 -11.881 -4.406 -22.589 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.080 -6.826 -21.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.017 -4.436 -21.998 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.336 -4.820 -23.678 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.901 -6.494 -23.151 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.196 -6.811 -21.578 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.008 -4.539 -20.805 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.797 -4.328 -22.356 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.230 -6.290 -21.959 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.363 -6.675 -20.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.412 -5.500 -20.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.079 -4.559 -19.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.919 -4.186 -20.972 1.00 0.00 H new ATOM 292 N ARG A 42 -13.821 -8.084 -23.932 1.00 0.00 N ATOM 293 CA ARG A 42 -13.941 -8.985 -25.066 1.00 0.00 C ATOM 294 C ARG A 42 -12.764 -9.963 -25.094 1.00 0.00 C ATOM 295 O ARG A 42 -12.471 -10.557 -26.130 1.00 0.00 O ATOM 296 CB ARG A 42 -13.982 -8.210 -26.384 1.00 0.00 C ATOM 297 CG ARG A 42 -15.006 -7.075 -26.320 1.00 0.00 C ATOM 298 CD ARG A 42 -15.189 -6.424 -27.693 1.00 0.00 C ATOM 299 NE ARG A 42 -15.629 -5.020 -27.533 1.00 0.00 N ATOM 300 CZ ARG A 42 -14.799 -3.994 -27.302 1.00 0.00 C ATOM 301 NH1 ARG A 42 -13.509 -4.225 -27.024 1.00 0.00 N ATOM 302 NH2 ARG A 42 -15.259 -2.736 -27.350 1.00 0.00 N ATOM 0 H ARG A 42 -14.471 -8.271 -23.168 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.874 -9.537 -24.953 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.995 -7.802 -26.601 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.234 -8.887 -27.200 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.962 -7.462 -25.967 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.679 -6.326 -25.599 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.252 -6.459 -28.249 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.925 -6.981 -28.273 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.627 -4.821 -27.603 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.158 -5.182 -26.988 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.877 -3.444 -26.848 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.241 -2.560 -27.562 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.627 -1.955 -27.174 1.00 0.00 H new ATOM 303 N THR A 43 -12.122 -10.099 -23.943 1.00 0.00 N ATOM 304 CA THR A 43 -11.071 -11.089 -23.785 1.00 0.00 C ATOM 305 C THR A 43 -11.644 -12.390 -23.219 1.00 0.00 C ATOM 306 O THR A 43 -12.378 -12.372 -22.232 1.00 0.00 O ATOM 307 CB THR A 43 -9.973 -10.479 -22.912 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.808 -10.533 -23.730 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.625 -11.358 -21.709 1.00 0.00 C ATOM 0 H THR A 43 -12.310 -9.540 -23.111 1.00 0.00 H new ATOM 0 HA THR A 43 -10.632 -11.355 -24.746 1.00 0.00 H new ATOM 0 HB THR A 43 -10.291 -9.496 -22.563 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.375 -9.654 -23.742 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.841 -10.879 -21.123 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.511 -11.493 -21.088 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.275 -12.330 -22.057 1.00 0.00 H new ATOM 310 N ILE A 44 -11.288 -13.488 -23.869 1.00 0.00 N ATOM 311 CA ILE A 44 -11.788 -14.792 -23.467 1.00 0.00 C ATOM 312 C ILE A 44 -11.071 -15.238 -22.191 1.00 0.00 C ATOM 313 O ILE A 44 -9.899 -15.607 -22.230 1.00 0.00 O ATOM 314 CB ILE A 44 -11.670 -15.790 -24.620 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.404 -15.283 -25.863 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.152 -17.179 -24.195 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.913 -15.508 -25.738 1.00 0.00 C ATOM 0 H ILE A 44 -10.659 -13.502 -24.672 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.851 -14.736 -23.232 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.617 -15.882 -24.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.201 -14.221 -26.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.028 -15.798 -26.747 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.057 -17.869 -25.033 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.546 -17.535 -23.362 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.196 -17.123 -23.887 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.411 -15.139 -26.634 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.114 -16.573 -25.624 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.290 -14.972 -24.867 1.00 0.00 H new ATOM 318 N CYS A 45 -11.806 -15.188 -21.090 1.00 0.00 N ATOM 319 CA CYS A 45 -11.231 -15.499 -19.792 1.00 0.00 C ATOM 320 C CYS A 45 -11.608 -16.937 -19.431 1.00 0.00 C ATOM 321 O CYS A 45 -10.903 -17.595 -18.668 1.00 0.00 O ATOM 322 CB CYS A 45 -11.683 -14.505 -18.721 1.00 0.00 C ATOM 323 SG CYS A 45 -13.189 -14.995 -17.804 1.00 0.00 S ATOM 0 H CYS A 45 -12.794 -14.937 -21.070 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.146 -15.411 -19.842 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.870 -14.366 -18.008 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.861 -13.539 -19.194 1.00 0.00 H new ATOM 324 N ARG A 46 -12.720 -17.383 -19.997 1.00 0.00 N ATOM 325 CA ARG A 46 -13.180 -18.743 -19.774 1.00 0.00 C ATOM 326 C ARG A 46 -14.088 -19.192 -20.921 1.00 0.00 C ATOM 327 O ARG A 46 -14.687 -18.362 -21.604 1.00 0.00 O ATOM 328 CB ARG A 46 -13.944 -18.856 -18.453 1.00 0.00 C ATOM 329 CG ARG A 46 -13.092 -19.541 -17.383 1.00 0.00 C ATOM 330 CD ARG A 46 -12.901 -21.025 -17.701 1.00 0.00 C ATOM 331 NE ARG A 46 -14.214 -21.708 -17.736 1.00 0.00 N ATOM 332 CZ ARG A 46 -14.391 -22.975 -18.136 1.00 0.00 C ATOM 333 NH1 ARG A 46 -13.332 -23.774 -18.320 1.00 0.00 N ATOM 334 NH2 ARG A 46 -15.628 -23.442 -18.352 1.00 0.00 N ATOM 0 H ARG A 46 -13.316 -16.826 -20.610 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.302 -19.387 -19.729 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.234 -17.863 -18.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.863 -19.421 -18.608 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.120 -19.051 -17.318 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.569 -19.433 -16.409 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.397 -21.138 -18.661 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.261 -21.487 -16.949 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.035 -21.182 -17.437 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.390 -23.418 -18.156 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.467 -24.738 -18.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.435 -22.833 -18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.763 -24.406 -18.656 1.00 0.00 H new ATOM 335 N ILE A 47 -14.163 -20.503 -21.096 1.00 0.00 N ATOM 336 CA ILE A 47 -15.038 -21.074 -22.105 1.00 0.00 C ATOM 337 C ILE A 47 -16.354 -21.499 -21.450 1.00 0.00 C ATOM 338 O ILE A 47 -16.412 -21.701 -20.238 1.00 0.00 O ATOM 339 CB ILE A 47 -14.329 -22.206 -22.851 1.00 0.00 C ATOM 340 CG1 ILE A 47 -12.864 -21.855 -23.116 1.00 0.00 C ATOM 341 CG2 ILE A 47 -15.074 -22.565 -24.138 1.00 0.00 C ATOM 342 CD1 ILE A 47 -12.749 -20.663 -24.068 1.00 0.00 C ATOM 0 H ILE A 47 -13.632 -21.186 -20.556 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.283 -20.329 -22.862 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.338 -23.092 -22.216 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.366 -21.622 -22.175 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.351 -22.717 -23.543 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.549 -23.372 -24.649 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.086 -22.887 -23.895 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.118 -21.692 -24.789 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.697 -20.434 -24.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.227 -20.908 -25.017 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.241 -19.796 -23.627 1.00 0.00 H new ATOM 343 N ALA A 48 -17.379 -21.622 -22.280 1.00 0.00 N ATOM 344 CA ALA A 48 -18.686 -22.037 -21.800 1.00 0.00 C ATOM 345 C ALA A 48 -18.673 -23.544 -21.535 1.00 0.00 C ATOM 346 O ALA A 48 -17.858 -24.270 -22.101 1.00 0.00 O ATOM 347 CB ALA A 48 -19.756 -21.633 -22.817 1.00 0.00 C ATOM 0 H ALA A 48 -17.331 -21.441 -23.283 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.925 -21.539 -20.860 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.736 -21.944 -22.457 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.744 -20.551 -22.947 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.550 -22.116 -23.772 1.00 0.00 H new ATOM 348 N ARG A 49 -19.586 -23.969 -20.674 1.00 0.00 N ATOM 349 CA ARG A 49 -19.752 -25.386 -20.399 1.00 0.00 C ATOM 350 C ARG A 49 -20.804 -25.989 -21.332 1.00 0.00 C ATOM 351 O ARG A 49 -20.769 -27.184 -21.623 1.00 0.00 O ATOM 352 CB ARG A 49 -20.176 -25.618 -18.947 1.00 0.00 C ATOM 353 CG ARG A 49 -18.969 -25.569 -18.009 1.00 0.00 C ATOM 354 CD ARG A 49 -19.394 -25.788 -16.556 1.00 0.00 C ATOM 355 NE ARG A 49 -18.279 -26.384 -15.786 1.00 0.00 N ATOM 356 CZ ARG A 49 -17.103 -25.777 -15.576 1.00 0.00 C ATOM 357 NH1 ARG A 49 -16.978 -24.462 -15.803 1.00 0.00 N ATOM 358 NH2 ARG A 49 -16.052 -26.484 -15.139 1.00 0.00 N ATOM 0 H ARG A 49 -20.218 -23.357 -20.158 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.791 -25.871 -20.568 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.902 -24.861 -18.651 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.670 -26.585 -18.859 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.247 -26.332 -18.299 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.469 -24.605 -18.104 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.690 -24.839 -16.108 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.264 -26.443 -16.518 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.414 -27.315 -15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.778 -23.924 -16.136 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.083 -24.000 -15.643 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.147 -27.485 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.157 -26.021 -14.979 1.00 0.00 H new ATOM 359 N GLY A 50 -21.714 -25.135 -21.777 1.00 0.00 N ATOM 360 CA GLY A 50 -22.747 -25.558 -22.707 1.00 0.00 C ATOM 361 C GLY A 50 -23.993 -24.681 -22.579 1.00 0.00 C ATOM 362 O GLY A 50 -24.358 -24.272 -21.478 1.00 0.00 O ATOM 0 H GLY A 50 -21.757 -24.151 -21.510 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.366 -25.507 -23.727 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.009 -26.599 -22.516 1.00 0.00 H new ATOM 363 N ASP A 51 -24.612 -24.417 -23.720 1.00 0.00 N ATOM 364 CA ASP A 51 -25.850 -23.657 -23.742 1.00 0.00 C ATOM 365 C ASP A 51 -25.570 -22.221 -23.292 1.00 0.00 C ATOM 366 O ASP A 51 -26.493 -21.482 -22.955 1.00 0.00 O ATOM 367 CB ASP A 51 -26.883 -24.259 -22.787 1.00 0.00 C ATOM 368 CG ASP A 51 -28.268 -23.612 -22.841 1.00 0.00 C ATOM 369 OD1 ASP A 51 -28.806 -23.574 -24.013 1.00 0.00 O ATOM 370 OD2 ASP A 51 -28.806 -23.167 -21.816 1.00 0.00 O ATOM 0 H ASP A 51 -24.279 -24.716 -24.637 1.00 0.00 H new ATOM 0 HA ASP A 51 -26.242 -23.681 -24.759 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -26.986 -25.321 -23.010 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.502 -24.182 -21.769 1.00 0.00 H new ATOM 371 N PHE A 52 -24.293 -21.870 -23.303 1.00 0.00 N ATOM 372 CA PHE A 52 -23.891 -20.499 -23.039 1.00 0.00 C ATOM 373 C PHE A 52 -22.785 -20.058 -23.999 1.00 0.00 C ATOM 374 O PHE A 52 -22.037 -20.888 -24.515 1.00 0.00 O ATOM 375 CB PHE A 52 -23.355 -20.458 -21.607 1.00 0.00 C ATOM 376 CG PHE A 52 -24.148 -21.317 -20.620 1.00 0.00 C ATOM 377 CD1 PHE A 52 -25.475 -21.086 -20.432 1.00 0.00 C ATOM 378 CD2 PHE A 52 -23.526 -22.311 -19.931 1.00 0.00 C ATOM 379 CE1 PHE A 52 -26.211 -21.884 -19.516 1.00 0.00 C ATOM 380 CE2 PHE A 52 -24.262 -23.108 -19.016 1.00 0.00 C ATOM 381 CZ PHE A 52 -25.589 -22.878 -18.827 1.00 0.00 C ATOM 0 H PHE A 52 -23.523 -22.512 -23.491 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.740 -19.829 -23.174 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.317 -20.790 -21.609 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -23.359 -19.425 -21.258 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.969 -20.296 -20.979 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -22.472 -22.494 -20.080 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -27.265 -21.701 -19.367 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -23.768 -23.898 -18.469 1.00 0.00 H new ATOM 0 HZ PHE A 52 -26.149 -23.484 -18.130 1.00 0.00 H new ATOM 382 N PRO A 53 -22.712 -18.717 -24.215 1.00 0.00 N ATOM 383 CA PRO A 53 -21.599 -18.136 -24.947 1.00 0.00 C ATOM 384 C PRO A 53 -20.336 -18.100 -24.085 1.00 0.00 C ATOM 385 O PRO A 53 -20.416 -18.139 -22.858 1.00 0.00 O ATOM 386 CB PRO A 53 -22.078 -16.753 -25.358 1.00 0.00 C ATOM 387 CG PRO A 53 -23.255 -16.432 -24.450 1.00 0.00 C ATOM 388 CD PRO A 53 -23.684 -17.722 -23.771 1.00 0.00 C ATOM 0 HA PRO A 53 -21.319 -18.722 -25.822 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -21.284 -16.015 -25.244 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -22.378 -16.739 -26.406 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -22.972 -15.686 -23.708 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.079 -16.012 -25.027 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.678 -17.619 -22.686 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.697 -18.003 -24.059 1.00 0.00 H new ATOM 389 N ASP A 54 -19.199 -18.024 -24.761 1.00 0.00 N ATOM 390 CA ASP A 54 -17.923 -17.927 -24.072 1.00 0.00 C ATOM 391 C ASP A 54 -17.967 -16.755 -23.090 1.00 0.00 C ATOM 392 O ASP A 54 -18.682 -15.780 -23.313 1.00 0.00 O ATOM 393 CB ASP A 54 -16.782 -17.675 -25.059 1.00 0.00 C ATOM 394 CG ASP A 54 -17.030 -16.544 -26.059 1.00 0.00 C ATOM 395 OD1 ASP A 54 -16.954 -15.354 -25.566 1.00 0.00 O ATOM 396 OD2 ASP A 54 -17.282 -16.787 -27.248 1.00 0.00 O ATOM 0 H ASP A 54 -19.135 -18.028 -25.779 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.748 -18.869 -23.552 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.877 -17.449 -24.495 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.591 -18.594 -25.613 1.00 0.00 H new ATOM 397 N ASP A 55 -17.194 -16.890 -22.022 1.00 0.00 N ATOM 398 CA ASP A 55 -17.206 -15.899 -20.959 1.00 0.00 C ATOM 399 C ASP A 55 -16.037 -14.932 -21.156 1.00 0.00 C ATOM 400 O ASP A 55 -14.880 -15.348 -21.185 1.00 0.00 O ATOM 401 CB ASP A 55 -17.047 -16.560 -19.589 1.00 0.00 C ATOM 402 CG ASP A 55 -16.652 -15.612 -18.455 1.00 0.00 C ATOM 403 OD1 ASP A 55 -16.826 -14.388 -18.556 1.00 0.00 O ATOM 404 OD2 ASP A 55 -16.137 -16.184 -17.420 1.00 0.00 O ATOM 0 H ASP A 55 -16.555 -17.671 -21.870 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.160 -15.374 -20.998 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.987 -17.046 -19.326 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.294 -17.344 -19.666 1.00 0.00 H new ATOM 405 N ARG A 56 -16.381 -13.658 -21.286 1.00 0.00 N ATOM 406 CA ARG A 56 -15.379 -12.635 -21.535 1.00 0.00 C ATOM 407 C ARG A 56 -15.225 -11.734 -20.309 1.00 0.00 C ATOM 408 O ARG A 56 -16.159 -11.584 -19.522 1.00 0.00 O ATOM 409 CB ARG A 56 -15.757 -11.778 -22.745 1.00 0.00 C ATOM 410 CG ARG A 56 -16.850 -12.454 -23.576 1.00 0.00 C ATOM 411 CD ARG A 56 -16.952 -11.821 -24.965 1.00 0.00 C ATOM 412 NE ARG A 56 -15.733 -12.122 -25.749 1.00 0.00 N ATOM 413 CZ ARG A 56 -15.572 -11.801 -27.040 1.00 0.00 C ATOM 414 NH1 ARG A 56 -16.586 -11.258 -27.727 1.00 0.00 N ATOM 415 NH2 ARG A 56 -14.396 -12.022 -27.644 1.00 0.00 N ATOM 0 H ARG A 56 -17.338 -13.312 -21.224 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.434 -13.138 -21.741 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.103 -10.800 -22.409 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.876 -11.609 -23.365 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.633 -13.518 -23.672 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -17.808 -12.369 -23.062 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.831 -12.202 -25.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.079 -10.742 -24.874 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.968 -12.604 -25.277 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.481 -11.089 -27.267 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.463 -11.014 -28.710 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.624 -12.435 -27.121 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.274 -11.778 -28.627 1.00 0.00 H new ATOM 416 N CYS A 57 -14.039 -11.157 -20.183 1.00 0.00 N ATOM 417 CA CYS A 57 -13.722 -10.340 -19.024 1.00 0.00 C ATOM 418 C CYS A 57 -14.254 -8.927 -19.272 1.00 0.00 C ATOM 419 O CYS A 57 -14.905 -8.674 -20.285 1.00 0.00 O ATOM 420 CB CYS A 57 -12.222 -10.342 -18.723 1.00 0.00 C ATOM 421 SG CYS A 57 -11.794 -10.521 -16.953 1.00 0.00 S ATOM 0 H CYS A 57 -13.285 -11.239 -20.865 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.203 -10.757 -18.139 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.755 -11.155 -19.279 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.790 -9.413 -19.094 1.00 0.00 H new ATOM 422 N THR A 58 -13.955 -8.043 -18.331 1.00 0.00 N ATOM 423 CA THR A 58 -14.371 -6.656 -18.449 1.00 0.00 C ATOM 424 C THR A 58 -13.215 -5.795 -18.961 1.00 0.00 C ATOM 425 O THR A 58 -13.436 -4.784 -19.626 1.00 0.00 O ATOM 426 CB THR A 58 -14.908 -6.206 -17.089 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.796 -6.355 -16.210 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.958 -7.167 -16.528 1.00 0.00 C ATOM 0 H THR A 58 -13.430 -8.260 -17.484 1.00 0.00 H new ATOM 0 HA THR A 58 -15.169 -6.543 -19.183 1.00 0.00 H new ATOM 0 HB THR A 58 -15.340 -5.209 -17.181 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.056 -6.083 -15.305 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.306 -6.802 -15.562 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.800 -7.229 -17.218 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.517 -8.156 -16.404 1.00 0.00 H new ATOM 429 N GLY A 59 -12.006 -6.227 -18.632 1.00 0.00 N ATOM 430 CA GLY A 59 -10.813 -5.545 -19.104 1.00 0.00 C ATOM 431 C GLY A 59 -10.355 -4.484 -18.101 1.00 0.00 C ATOM 432 O GLY A 59 -9.777 -3.469 -18.486 1.00 0.00 O ATOM 0 H GLY A 59 -11.827 -7.041 -18.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.014 -6.270 -19.263 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.015 -5.077 -20.067 1.00 0.00 H new ATOM 433 N LEU A 60 -10.630 -4.756 -16.833 1.00 0.00 N ATOM 434 CA LEU A 60 -10.175 -3.883 -15.765 1.00 0.00 C ATOM 435 C LEU A 60 -9.908 -4.717 -14.510 1.00 0.00 C ATOM 436 O LEU A 60 -10.012 -4.213 -13.392 1.00 0.00 O ATOM 437 CB LEU A 60 -11.171 -2.743 -15.545 1.00 0.00 C ATOM 438 CG LEU A 60 -12.525 -3.139 -14.953 1.00 0.00 C ATOM 439 CD1 LEU A 60 -12.754 -2.457 -13.603 1.00 0.00 C ATOM 440 CD2 LEU A 60 -13.659 -2.853 -15.940 1.00 0.00 C ATOM 0 H LEU A 60 -11.162 -5.569 -16.522 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.234 -3.405 -16.037 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.710 -2.007 -14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.345 -2.250 -16.501 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.518 -4.214 -14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.724 -2.756 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.969 -2.754 -12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.733 -1.375 -13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.611 -3.143 -15.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.678 -1.789 -16.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.497 -3.423 -16.855 1.00 0.00 H new ATOM 441 N SER A 61 -9.568 -5.977 -14.737 1.00 0.00 N ATOM 442 CA SER A 61 -9.310 -6.892 -13.638 1.00 0.00 C ATOM 443 C SER A 61 -8.392 -8.024 -14.104 1.00 0.00 C ATOM 444 O SER A 61 -8.249 -8.258 -15.303 1.00 0.00 O ATOM 445 CB SER A 61 -10.614 -7.462 -13.078 1.00 0.00 C ATOM 446 OG SER A 61 -11.658 -6.493 -13.064 1.00 0.00 O ATOM 0 H SER A 61 -9.465 -6.386 -15.666 1.00 0.00 H new ATOM 0 HA SER A 61 -8.816 -6.337 -12.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.922 -8.318 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.445 -7.827 -12.065 1.00 0.00 H new ATOM 0 HG SER A 61 -12.474 -6.896 -12.701 1.00 0.00 H new ATOM 447 N ASN A 62 -7.794 -8.696 -13.132 1.00 0.00 N ATOM 448 CA ASN A 62 -6.940 -9.835 -13.424 1.00 0.00 C ATOM 449 C ASN A 62 -7.739 -11.127 -13.237 1.00 0.00 C ATOM 450 O ASN A 62 -7.425 -12.149 -13.845 1.00 0.00 O ATOM 451 CB ASN A 62 -5.739 -9.880 -12.479 1.00 0.00 C ATOM 452 CG ASN A 62 -5.367 -11.324 -12.132 1.00 0.00 C ATOM 453 OD1 ASN A 62 -5.715 -11.847 -11.087 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.644 -11.935 -13.066 1.00 0.00 N ATOM 0 H ASN A 62 -7.884 -8.474 -12.141 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.587 -9.737 -14.450 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.887 -9.383 -12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.969 -9.331 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.346 -12.901 -12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.387 -11.438 -13.919 1.00 0.00 H new ATOM 455 N ASP A 63 -8.755 -11.039 -12.392 1.00 0.00 N ATOM 456 CA ASP A 63 -9.583 -12.196 -12.094 1.00 0.00 C ATOM 457 C ASP A 63 -10.550 -12.438 -13.256 1.00 0.00 C ATOM 458 O ASP A 63 -10.720 -11.576 -14.116 1.00 0.00 O ATOM 459 CB ASP A 63 -10.412 -11.969 -10.829 1.00 0.00 C ATOM 460 CG ASP A 63 -9.782 -11.024 -9.804 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.549 -9.830 -10.234 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.527 -11.409 -8.653 1.00 0.00 O ATOM 0 H ASP A 63 -9.024 -10.185 -11.904 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.925 -13.052 -11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.385 -11.572 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.590 -12.933 -10.351 1.00 0.00 H new ATOM 463 N CYS A 64 -11.157 -13.616 -13.242 1.00 0.00 N ATOM 464 CA CYS A 64 -12.061 -14.004 -14.312 1.00 0.00 C ATOM 465 C CYS A 64 -13.411 -14.367 -13.692 1.00 0.00 C ATOM 466 O CYS A 64 -13.566 -15.444 -13.119 1.00 0.00 O ATOM 467 CB CYS A 64 -11.489 -15.151 -15.147 1.00 0.00 C ATOM 468 SG CYS A 64 -12.706 -16.005 -16.214 1.00 0.00 S ATOM 0 H CYS A 64 -11.041 -14.314 -12.507 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.192 -13.170 -15.002 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.688 -14.760 -15.774 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.040 -15.882 -14.475 1.00 0.00 H new ATOM 469 N PRO A 65 -14.380 -13.422 -13.830 1.00 0.00 N ATOM 470 CA PRO A 65 -15.717 -13.639 -13.304 1.00 0.00 C ATOM 471 C PRO A 65 -16.499 -14.620 -14.179 1.00 0.00 C ATOM 472 O PRO A 65 -16.444 -14.543 -15.405 1.00 0.00 O ATOM 473 CB PRO A 65 -16.347 -12.257 -13.251 1.00 0.00 C ATOM 474 CG PRO A 65 -15.517 -11.384 -14.179 1.00 0.00 C ATOM 475 CD PRO A 65 -14.229 -12.129 -14.490 1.00 0.00 C ATOM 0 HA PRO A 65 -15.711 -14.098 -12.315 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.388 -12.290 -13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.340 -11.863 -12.235 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.066 -11.172 -15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.300 -10.425 -13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.089 -12.247 -15.565 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.359 -11.591 -14.113 1.00 0.00 H new ATOM 476 N ARG A 66 -17.209 -15.519 -13.514 1.00 0.00 N ATOM 477 CA ARG A 66 -17.913 -16.581 -14.213 1.00 0.00 C ATOM 478 C ARG A 66 -19.155 -16.024 -14.912 1.00 0.00 C ATOM 479 O ARG A 66 -19.706 -15.009 -14.491 1.00 0.00 O ATOM 480 CB ARG A 66 -18.335 -17.690 -13.247 1.00 0.00 C ATOM 481 CG ARG A 66 -17.195 -18.050 -12.293 1.00 0.00 C ATOM 482 CD ARG A 66 -15.890 -18.278 -13.059 1.00 0.00 C ATOM 483 NE ARG A 66 -14.893 -18.927 -12.179 1.00 0.00 N ATOM 484 CZ ARG A 66 -13.575 -18.938 -12.418 1.00 0.00 C ATOM 485 NH1 ARG A 66 -13.099 -18.456 -13.574 1.00 0.00 N ATOM 486 NH2 ARG A 66 -12.731 -19.431 -11.501 1.00 0.00 N ATOM 0 H ARG A 66 -17.312 -15.534 -12.499 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.231 -16.999 -14.954 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.205 -17.367 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.635 -18.573 -13.811 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.059 -17.250 -11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.454 -18.949 -11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.076 -18.902 -13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.501 -17.327 -13.423 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.230 -19.395 -11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.740 -18.080 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.095 -18.465 -13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.092 -19.798 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.728 -19.439 -11.684 1.00 0.00 H new ATOM 487 N TRP A 67 -19.559 -16.713 -15.969 1.00 0.00 N ATOM 488 CA TRP A 67 -20.768 -16.346 -16.685 1.00 0.00 C ATOM 489 C TRP A 67 -21.966 -16.679 -15.793 1.00 0.00 C ATOM 490 O TRP A 67 -22.425 -17.819 -15.765 1.00 0.00 O ATOM 491 CB TRP A 67 -20.830 -17.035 -18.050 1.00 0.00 C ATOM 492 CG TRP A 67 -21.449 -16.176 -19.154 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.858 -15.221 -19.885 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.811 -16.234 -19.626 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.737 -14.661 -20.790 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.962 -15.296 -20.627 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.881 -17.051 -19.220 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -24.169 -15.087 -21.307 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -25.080 -16.830 -19.909 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.248 -15.890 -20.919 1.00 0.00 C ATOM 0 H TRP A 67 -19.070 -17.524 -16.347 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.779 -15.277 -16.899 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.821 -17.319 -18.348 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.405 -17.956 -17.955 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.824 -14.927 -19.779 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.526 -13.918 -21.456 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.786 -17.790 -18.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.262 -14.347 -22.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.934 -17.432 -19.636 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.207 -15.780 -21.403 1.00 0.00 H new