USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=7 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 -120:sc= 0.992 USER MOD Set 1.2: A 61 SER OG : rot 92:sc= 0.668 USER MOD Single : A 8 SER OG : rot 39:sc= 0.445 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0615 K(o=-0.062,f=-0.94) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.467 X(o=0.47,f=0.73) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= 1.29 (180deg=0.445) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 1.955 -5.700 -3.377 1.00 0.00 N ATOM 24 CA CYS A 4 2.311 -7.015 -3.880 1.00 0.00 C ATOM 25 C CYS A 4 1.207 -7.481 -4.832 1.00 0.00 C ATOM 26 O CYS A 4 0.043 -7.569 -4.444 1.00 0.00 O ATOM 27 CB CYS A 4 2.542 -8.012 -2.743 1.00 0.00 C ATOM 28 SG CYS A 4 4.115 -7.790 -1.835 1.00 0.00 S ATOM 0 HA CYS A 4 3.255 -6.956 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.716 -7.933 -2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.515 -9.022 -3.153 1.00 0.00 H new ATOM 29 N ASP A 5 1.613 -7.768 -6.061 1.00 0.00 N ATOM 30 CA ASP A 5 0.702 -8.353 -7.031 1.00 0.00 C ATOM 31 C ASP A 5 1.488 -9.264 -7.976 1.00 0.00 C ATOM 32 O ASP A 5 1.100 -9.452 -9.127 1.00 0.00 O ATOM 33 CB ASP A 5 0.026 -7.270 -7.873 1.00 0.00 C ATOM 34 CG ASP A 5 -1.159 -7.751 -8.713 1.00 0.00 C ATOM 35 OD1 ASP A 5 -1.690 -8.850 -8.498 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.539 -6.934 -9.637 1.00 0.00 O ATOM 0 H ASP A 5 2.559 -7.607 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.058 -8.913 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.317 -6.476 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.769 -6.831 -8.538 1.00 0.00 H new ATOM 37 N CYS A 6 2.578 -9.806 -7.453 1.00 0.00 N ATOM 38 CA CYS A 6 3.482 -10.603 -8.267 1.00 0.00 C ATOM 39 C CYS A 6 3.040 -12.065 -8.183 1.00 0.00 C ATOM 40 O CYS A 6 2.572 -12.517 -7.140 1.00 0.00 O ATOM 41 CB CYS A 6 4.939 -10.421 -7.837 1.00 0.00 C ATOM 42 SG CYS A 6 6.157 -11.345 -8.842 1.00 0.00 S ATOM 0 H CYS A 6 2.856 -9.709 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 6 3.434 -10.269 -9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.185 -9.360 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.037 -10.731 -6.797 1.00 0.00 H new ATOM 43 N GLY A 7 3.206 -12.764 -9.295 1.00 0.00 N ATOM 44 CA GLY A 7 2.835 -14.168 -9.359 1.00 0.00 C ATOM 45 C GLY A 7 4.068 -15.066 -9.241 1.00 0.00 C ATOM 46 O GLY A 7 4.004 -16.140 -8.644 1.00 0.00 O ATOM 0 H GLY A 7 3.592 -12.385 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.134 -14.400 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.322 -14.370 -10.299 1.00 0.00 H new ATOM 47 N SER A 8 5.164 -14.594 -9.818 1.00 0.00 N ATOM 48 CA SER A 8 6.410 -15.340 -9.784 1.00 0.00 C ATOM 49 C SER A 8 7.581 -14.419 -10.130 1.00 0.00 C ATOM 50 O SER A 8 7.392 -13.377 -10.754 1.00 0.00 O ATOM 51 CB SER A 8 6.367 -16.529 -10.746 1.00 0.00 C ATOM 52 OG SER A 8 5.962 -17.729 -10.093 1.00 0.00 O ATOM 0 H SER A 8 5.214 -13.703 -10.312 1.00 0.00 H new ATOM 0 HA SER A 8 6.548 -15.729 -8.775 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.679 -16.310 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.352 -16.672 -11.190 1.00 0.00 H new ATOM 0 HG SER A 8 5.259 -17.525 -9.441 1.00 0.00 H new ATOM 53 N PRO A 9 8.797 -14.848 -9.697 1.00 0.00 N ATOM 54 CA PRO A 9 9.994 -14.057 -9.925 1.00 0.00 C ATOM 55 C PRO A 9 10.443 -14.147 -11.385 1.00 0.00 C ATOM 56 O PRO A 9 10.849 -13.148 -11.978 1.00 0.00 O ATOM 57 CB PRO A 9 11.023 -14.610 -8.952 1.00 0.00 C ATOM 58 CG PRO A 9 10.515 -15.984 -8.548 1.00 0.00 C ATOM 59 CD PRO A 9 9.064 -16.093 -8.984 1.00 0.00 C ATOM 0 HA PRO A 9 9.833 -12.993 -9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.006 -14.678 -9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.128 -13.961 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.114 -16.765 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.601 -16.120 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.908 -16.959 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.401 -16.209 -8.127 1.00 0.00 H new ATOM 60 N SER A 10 10.353 -15.355 -11.924 1.00 0.00 N ATOM 61 CA SER A 10 10.803 -15.602 -13.283 1.00 0.00 C ATOM 62 C SER A 10 10.166 -14.590 -14.239 1.00 0.00 C ATOM 63 O SER A 10 10.762 -14.226 -15.251 1.00 0.00 O ATOM 64 CB SER A 10 10.470 -17.029 -13.722 1.00 0.00 C ATOM 65 OG SER A 10 10.840 -17.271 -15.077 1.00 0.00 O ATOM 0 H SER A 10 9.975 -16.172 -11.444 1.00 0.00 H new ATOM 0 HA SER A 10 11.886 -15.485 -13.311 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.985 -17.737 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.401 -17.205 -13.601 1.00 0.00 H new ATOM 0 HG SER A 10 10.613 -18.193 -15.319 1.00 0.00 H new ATOM 66 N ASN A 11 8.964 -14.166 -13.883 1.00 0.00 N ATOM 67 CA ASN A 11 8.241 -13.198 -14.692 1.00 0.00 C ATOM 68 C ASN A 11 9.050 -11.902 -14.771 1.00 0.00 C ATOM 69 O ASN A 11 9.491 -11.377 -13.749 1.00 0.00 O ATOM 70 CB ASN A 11 6.881 -12.869 -14.074 1.00 0.00 C ATOM 71 CG ASN A 11 5.865 -13.975 -14.365 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.749 -14.953 -13.644 1.00 0.00 O ATOM 73 ND2 ASN A 11 5.137 -13.767 -15.459 1.00 0.00 N ATOM 0 H ASN A 11 8.471 -14.474 -13.045 1.00 0.00 H new ATOM 0 HA ASN A 11 8.092 -13.630 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.988 -12.743 -12.997 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.517 -11.922 -14.471 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.431 -14.448 -15.739 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.285 -12.927 -16.018 1.00 0.00 H new ATOM 74 N PRO A 12 9.227 -11.410 -16.026 1.00 0.00 N ATOM 75 CA PRO A 12 9.910 -10.147 -16.247 1.00 0.00 C ATOM 76 C PRO A 12 9.011 -8.966 -15.873 1.00 0.00 C ATOM 77 O PRO A 12 9.447 -7.816 -15.901 1.00 0.00 O ATOM 78 CB PRO A 12 10.294 -10.159 -17.717 1.00 0.00 C ATOM 79 CG PRO A 12 9.413 -11.211 -18.371 1.00 0.00 C ATOM 80 CD PRO A 12 8.783 -12.043 -17.266 1.00 0.00 C ATOM 0 HA PRO A 12 10.794 -10.031 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.135 -9.180 -18.170 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.349 -10.401 -17.843 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.642 -10.739 -18.980 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.002 -11.843 -19.036 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.696 -12.045 -17.342 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.108 -13.082 -17.319 1.00 0.00 H new ATOM 81 N CYS A 13 7.772 -9.291 -15.533 1.00 0.00 N ATOM 82 CA CYS A 13 6.810 -8.272 -15.149 1.00 0.00 C ATOM 83 C CYS A 13 7.153 -7.798 -13.734 1.00 0.00 C ATOM 84 O CYS A 13 6.944 -6.634 -13.398 1.00 0.00 O ATOM 85 CB CYS A 13 5.373 -8.785 -15.247 1.00 0.00 C ATOM 86 SG CYS A 13 4.902 -9.438 -16.890 1.00 0.00 S ATOM 0 H CYS A 13 7.412 -10.245 -15.516 1.00 0.00 H new ATOM 0 HA CYS A 13 6.872 -7.430 -15.839 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.231 -9.571 -14.505 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.694 -7.974 -14.986 1.00 0.00 H new ATOM 87 N CYS A 14 7.672 -8.726 -12.944 1.00 0.00 N ATOM 88 CA CYS A 14 8.058 -8.414 -11.578 1.00 0.00 C ATOM 89 C CYS A 14 9.516 -7.948 -11.586 1.00 0.00 C ATOM 90 O CYS A 14 10.249 -8.209 -12.538 1.00 0.00 O ATOM 91 CB CYS A 14 7.847 -9.607 -10.643 1.00 0.00 C ATOM 92 SG CYS A 14 6.141 -10.269 -10.619 1.00 0.00 S ATOM 0 H CYS A 14 7.834 -9.694 -13.223 1.00 0.00 H new ATOM 0 HA CYS A 14 7.423 -7.617 -11.192 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.528 -10.406 -10.937 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.121 -9.310 -9.631 1.00 0.00 H new ATOM 93 N ASP A 15 9.892 -7.265 -10.514 1.00 0.00 N ATOM 94 CA ASP A 15 11.266 -6.822 -10.353 1.00 0.00 C ATOM 95 C ASP A 15 11.974 -7.726 -9.343 1.00 0.00 C ATOM 96 O ASP A 15 13.044 -7.384 -8.843 1.00 0.00 O ATOM 97 CB ASP A 15 11.323 -5.387 -9.825 1.00 0.00 C ATOM 98 CG ASP A 15 12.635 -4.649 -10.097 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.000 -4.401 -11.255 1.00 0.00 O ATOM 100 OD2 ASP A 15 13.304 -4.320 -9.044 1.00 0.00 O ATOM 0 H ASP A 15 9.269 -7.008 -9.749 1.00 0.00 H new ATOM 0 HA ASP A 15 11.752 -6.867 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.506 -4.820 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.150 -5.405 -8.749 1.00 0.00 H new ATOM 101 N ALA A 16 11.349 -8.862 -9.073 1.00 0.00 N ATOM 102 CA ALA A 16 11.915 -9.827 -8.147 1.00 0.00 C ATOM 103 C ALA A 16 12.801 -9.097 -7.135 1.00 0.00 C ATOM 104 O ALA A 16 14.023 -9.246 -7.153 1.00 0.00 O ATOM 105 CB ALA A 16 12.682 -10.896 -8.929 1.00 0.00 C ATOM 0 H ALA A 16 10.455 -9.136 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 16 11.126 -10.333 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.107 -11.620 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.002 -11.405 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.484 -10.425 -9.498 1.00 0.00 H new ATOM 106 N ALA A 17 12.151 -8.323 -6.278 1.00 0.00 N ATOM 107 CA ALA A 17 12.866 -7.559 -5.270 1.00 0.00 C ATOM 108 C ALA A 17 11.883 -7.104 -4.190 1.00 0.00 C ATOM 109 O ALA A 17 11.921 -7.594 -3.063 1.00 0.00 O ATOM 110 CB ALA A 17 13.588 -6.385 -5.934 1.00 0.00 C ATOM 0 H ALA A 17 11.138 -8.209 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 17 13.624 -8.176 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.124 -5.812 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.296 -6.763 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.859 -5.742 -6.427 1.00 0.00 H new ATOM 111 N THR A 18 11.024 -6.170 -4.572 1.00 0.00 N ATOM 112 CA THR A 18 10.164 -5.505 -3.609 1.00 0.00 C ATOM 113 C THR A 18 8.763 -6.121 -3.631 1.00 0.00 C ATOM 114 O THR A 18 7.814 -5.533 -3.115 1.00 0.00 O ATOM 115 CB THR A 18 10.172 -4.008 -3.922 1.00 0.00 C ATOM 116 OG1 THR A 18 10.194 -3.950 -5.346 1.00 0.00 O ATOM 117 CG2 THR A 18 11.478 -3.329 -3.502 1.00 0.00 C ATOM 0 H THR A 18 10.906 -5.858 -5.536 1.00 0.00 H new ATOM 0 HA THR A 18 10.531 -5.642 -2.592 1.00 0.00 H new ATOM 0 HB THR A 18 9.334 -3.528 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.199 -3.014 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.431 -2.268 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.621 -3.448 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.313 -3.787 -4.032 1.00 0.00 H new ATOM 118 N CYS A 19 8.680 -7.299 -4.232 1.00 0.00 N ATOM 119 CA CYS A 19 7.423 -8.029 -4.277 1.00 0.00 C ATOM 120 C CYS A 19 6.441 -7.240 -5.144 1.00 0.00 C ATOM 121 O CYS A 19 5.257 -7.568 -5.202 1.00 0.00 O ATOM 122 CB CYS A 19 6.869 -8.286 -2.875 1.00 0.00 C ATOM 123 SG CYS A 19 5.295 -9.220 -2.832 1.00 0.00 S ATOM 0 H CYS A 19 9.462 -7.766 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 19 7.585 -9.013 -4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.616 -8.833 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.721 -7.328 -2.377 1.00 0.00 H new ATOM 124 N LYS A 20 6.968 -6.214 -5.797 1.00 0.00 N ATOM 125 CA LYS A 20 6.129 -5.288 -6.540 1.00 0.00 C ATOM 126 C LYS A 20 6.539 -5.307 -8.014 1.00 0.00 C ATOM 127 O LYS A 20 7.675 -5.645 -8.342 1.00 0.00 O ATOM 128 CB LYS A 20 6.176 -3.897 -5.906 1.00 0.00 C ATOM 129 CG LYS A 20 4.884 -3.125 -6.182 1.00 0.00 C ATOM 130 CD LYS A 20 4.834 -1.831 -5.369 1.00 0.00 C ATOM 131 CE LYS A 20 5.874 -0.827 -5.870 1.00 0.00 C ATOM 132 NZ LYS A 20 5.613 0.515 -5.306 1.00 0.00 N ATOM 0 H LYS A 20 7.966 -6.004 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 20 5.085 -5.598 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.326 -3.989 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.027 -3.342 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.814 -2.894 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.024 -3.748 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.838 -1.393 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.014 -2.051 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.873 -1.158 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.849 -0.781 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.328 1.184 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.667 0.836 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.660 0.470 -4.268 1.00 0.00 H new ATOM 133 N LEU A 21 5.591 -4.939 -8.862 1.00 0.00 N ATOM 134 CA LEU A 21 5.781 -5.065 -10.298 1.00 0.00 C ATOM 135 C LEU A 21 6.809 -4.032 -10.764 1.00 0.00 C ATOM 136 O LEU A 21 7.181 -3.136 -10.008 1.00 0.00 O ATOM 137 CB LEU A 21 4.439 -4.969 -11.027 1.00 0.00 C ATOM 138 CG LEU A 21 3.563 -6.224 -10.987 1.00 0.00 C ATOM 139 CD1 LEU A 21 4.077 -7.282 -11.966 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.450 -6.769 -9.561 1.00 0.00 C ATOM 0 H LEU A 21 4.689 -4.553 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 21 6.181 -6.048 -10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.874 -4.141 -10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.632 -4.717 -12.070 1.00 0.00 H new ATOM 0 HG LEU A 21 2.558 -5.950 -11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.437 -8.163 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.063 -6.878 -12.978 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.097 -7.559 -11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.823 -7.660 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.442 -7.024 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.004 -6.011 -8.916 1.00 0.00 H new ATOM 141 N ARG A 22 7.238 -4.192 -12.007 1.00 0.00 N ATOM 142 CA ARG A 22 8.119 -3.216 -12.626 1.00 0.00 C ATOM 143 C ARG A 22 7.305 -2.056 -13.202 1.00 0.00 C ATOM 144 O ARG A 22 6.088 -2.160 -13.349 1.00 0.00 O ATOM 145 CB ARG A 22 8.948 -3.853 -13.743 1.00 0.00 C ATOM 146 CG ARG A 22 10.267 -4.407 -13.201 1.00 0.00 C ATOM 147 CD ARG A 22 11.134 -4.963 -14.332 1.00 0.00 C ATOM 148 NE ARG A 22 11.585 -3.864 -15.214 1.00 0.00 N ATOM 149 CZ ARG A 22 12.624 -3.062 -14.943 1.00 0.00 C ATOM 150 NH1 ARG A 22 13.288 -3.192 -13.787 1.00 0.00 N ATOM 151 NH2 ARG A 22 12.999 -2.130 -15.831 1.00 0.00 N ATOM 0 H ARG A 22 6.992 -4.983 -12.602 1.00 0.00 H new ATOM 0 HA ARG A 22 8.794 -2.843 -11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.378 -4.655 -14.211 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.151 -3.113 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.808 -3.619 -12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.064 -5.193 -12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.997 -5.484 -13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.568 -5.694 -14.909 1.00 0.00 H new ATOM 0 HE ARG A 22 11.073 -3.707 -16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.003 -3.902 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.079 -2.581 -13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.494 -2.032 -16.712 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.790 -1.519 -15.626 1.00 0.00 H new ATOM 152 N PRO A 23 8.028 -0.948 -13.519 1.00 0.00 N ATOM 153 CA PRO A 23 7.408 0.185 -14.184 1.00 0.00 C ATOM 154 C PRO A 23 7.156 -0.118 -15.662 1.00 0.00 C ATOM 155 O PRO A 23 8.096 -0.349 -16.421 1.00 0.00 O ATOM 156 CB PRO A 23 8.370 1.342 -13.969 1.00 0.00 C ATOM 157 CG PRO A 23 9.702 0.713 -13.599 1.00 0.00 C ATOM 158 CD PRO A 23 9.449 -0.746 -13.255 1.00 0.00 C ATOM 0 HA PRO A 23 6.424 0.423 -13.780 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.461 1.947 -14.871 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.016 2.002 -13.177 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.405 0.793 -14.428 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.148 1.233 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.063 -1.409 -13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.692 -0.955 -12.213 1.00 0.00 H new ATOM 159 N GLY A 24 5.882 -0.104 -16.028 1.00 0.00 N ATOM 160 CA GLY A 24 5.472 -0.612 -17.326 1.00 0.00 C ATOM 161 C GLY A 24 4.847 -2.003 -17.198 1.00 0.00 C ATOM 162 O GLY A 24 4.749 -2.737 -18.179 1.00 0.00 O ATOM 0 H GLY A 24 5.121 0.251 -15.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.755 0.073 -17.778 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.334 -0.656 -17.992 1.00 0.00 H new ATOM 163 N ALA A 25 4.442 -2.324 -15.978 1.00 0.00 N ATOM 164 CA ALA A 25 3.723 -3.563 -15.729 1.00 0.00 C ATOM 165 C ALA A 25 2.782 -3.371 -14.540 1.00 0.00 C ATOM 166 O ALA A 25 3.214 -2.974 -13.459 1.00 0.00 O ATOM 167 CB ALA A 25 4.725 -4.698 -15.505 1.00 0.00 C ATOM 0 H ALA A 25 4.598 -1.748 -15.151 1.00 0.00 H new ATOM 0 HA ALA A 25 3.113 -3.833 -16.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.187 -5.627 -15.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.349 -4.812 -16.391 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.354 -4.464 -14.646 1.00 0.00 H new ATOM 168 N GLN A 26 1.512 -3.665 -14.777 1.00 0.00 N ATOM 169 CA GLN A 26 0.491 -3.442 -13.769 1.00 0.00 C ATOM 170 C GLN A 26 0.202 -4.738 -13.010 1.00 0.00 C ATOM 171 O GLN A 26 -0.279 -4.705 -11.877 1.00 0.00 O ATOM 172 CB GLN A 26 -0.786 -2.878 -14.396 1.00 0.00 C ATOM 173 CG GLN A 26 -1.503 -1.935 -13.428 1.00 0.00 C ATOM 174 CD GLN A 26 -2.852 -2.514 -12.997 1.00 0.00 C ATOM 175 OE1 GLN A 26 -3.898 -2.180 -13.528 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.769 -3.398 -12.007 1.00 0.00 N ATOM 0 H GLN A 26 1.167 -4.056 -15.654 1.00 0.00 H new ATOM 0 HA GLN A 26 0.865 -2.704 -13.060 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.539 -2.344 -15.314 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.451 -3.696 -14.672 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.879 -1.765 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.654 -0.966 -13.904 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.860 -3.632 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.614 -3.842 -11.647 1.00 0.00 H new ATOM 177 N CYS A 27 0.507 -5.849 -13.662 1.00 0.00 N ATOM 178 CA CYS A 27 0.239 -7.155 -13.084 1.00 0.00 C ATOM 179 C CYS A 27 1.279 -8.140 -13.621 1.00 0.00 C ATOM 180 O CYS A 27 2.089 -7.789 -14.477 1.00 0.00 O ATOM 181 CB CYS A 27 -1.190 -7.620 -13.373 1.00 0.00 C ATOM 182 SG CYS A 27 -1.723 -7.427 -15.113 1.00 0.00 S ATOM 0 H CYS A 27 0.938 -5.872 -14.586 1.00 0.00 H new ATOM 0 HA CYS A 27 0.320 -7.098 -11.998 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.278 -8.670 -13.095 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.875 -7.062 -12.734 1.00 0.00 H new ATOM 183 N ALA A 28 1.224 -9.355 -13.095 1.00 0.00 N ATOM 184 CA ALA A 28 2.174 -10.383 -13.483 1.00 0.00 C ATOM 185 C ALA A 28 1.579 -11.219 -14.618 1.00 0.00 C ATOM 186 O ALA A 28 2.169 -11.326 -15.691 1.00 0.00 O ATOM 187 CB ALA A 28 2.536 -11.232 -12.262 1.00 0.00 C ATOM 0 H ALA A 28 0.536 -9.650 -12.403 1.00 0.00 H new ATOM 0 HA ALA A 28 3.096 -9.933 -13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.249 -12.003 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.982 -10.597 -11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.636 -11.701 -11.865 1.00 0.00 H new ATOM 188 N ASP A 29 0.416 -11.791 -14.341 1.00 0.00 N ATOM 189 CA ASP A 29 -0.240 -12.658 -15.306 1.00 0.00 C ATOM 190 C ASP A 29 -1.671 -12.939 -14.842 1.00 0.00 C ATOM 191 O ASP A 29 -2.006 -12.714 -13.680 1.00 0.00 O ATOM 192 CB ASP A 29 0.488 -13.998 -15.429 1.00 0.00 C ATOM 193 CG ASP A 29 0.986 -14.337 -16.835 1.00 0.00 C ATOM 194 OD1 ASP A 29 2.074 -13.740 -17.188 1.00 0.00 O ATOM 195 OD2 ASP A 29 0.366 -15.131 -17.557 1.00 0.00 O ATOM 0 H ASP A 29 -0.089 -11.671 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.231 -12.153 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.340 -13.995 -14.749 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.183 -14.790 -15.097 1.00 0.00 H new ATOM 196 N GLY A 30 -2.476 -13.427 -15.775 1.00 0.00 N ATOM 197 CA GLY A 30 -3.868 -13.724 -15.481 1.00 0.00 C ATOM 198 C GLY A 30 -4.697 -13.790 -16.765 1.00 0.00 C ATOM 199 O GLY A 30 -4.213 -13.436 -17.839 1.00 0.00 O ATOM 0 H GLY A 30 -2.191 -13.624 -16.734 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.937 -14.674 -14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.275 -12.959 -14.820 1.00 0.00 H new ATOM 200 N LEU A 31 -5.931 -14.247 -16.612 1.00 0.00 N ATOM 201 CA LEU A 31 -6.846 -14.325 -17.738 1.00 0.00 C ATOM 202 C LEU A 31 -7.195 -12.910 -18.205 1.00 0.00 C ATOM 203 O LEU A 31 -7.523 -12.701 -19.372 1.00 0.00 O ATOM 204 CB LEU A 31 -8.067 -15.173 -17.378 1.00 0.00 C ATOM 205 CG LEU A 31 -7.898 -16.686 -17.521 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.803 -17.435 -16.540 1.00 0.00 C ATOM 207 CD2 LEU A 31 -8.131 -17.131 -18.967 1.00 0.00 C ATOM 0 H LEU A 31 -6.319 -14.567 -15.725 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.373 -14.831 -18.580 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.345 -14.954 -16.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.900 -14.859 -18.007 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.868 -16.938 -17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.663 -18.509 -16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.548 -17.150 -15.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.844 -17.180 -16.738 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.004 -18.211 -19.040 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.143 -16.863 -19.272 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.412 -16.636 -19.620 1.00 0.00 H new ATOM 208 N CYS A 32 -7.111 -11.975 -17.270 1.00 0.00 N ATOM 209 CA CYS A 32 -7.439 -10.591 -17.564 1.00 0.00 C ATOM 210 C CYS A 32 -6.203 -9.735 -17.281 1.00 0.00 C ATOM 211 O CYS A 32 -6.320 -8.609 -16.797 1.00 0.00 O ATOM 212 CB CYS A 32 -8.657 -10.116 -16.769 1.00 0.00 C ATOM 213 SG CYS A 32 -10.118 -11.214 -16.874 1.00 0.00 S ATOM 0 H CYS A 32 -6.820 -12.149 -16.308 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.714 -10.495 -18.614 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.372 -10.013 -15.722 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.939 -9.124 -17.122 1.00 0.00 H new ATOM 214 N CYS A 33 -5.046 -10.299 -17.594 1.00 0.00 N ATOM 215 CA CYS A 33 -3.797 -9.566 -17.469 1.00 0.00 C ATOM 216 C CYS A 33 -2.926 -9.892 -18.683 1.00 0.00 C ATOM 217 O CYS A 33 -2.688 -11.061 -18.985 1.00 0.00 O ATOM 218 CB CYS A 33 -3.085 -9.884 -16.153 1.00 0.00 C ATOM 219 SG CYS A 33 -1.397 -9.191 -16.009 1.00 0.00 S ATOM 0 H CYS A 33 -4.947 -11.255 -17.934 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.000 -8.495 -17.446 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.689 -9.506 -15.328 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.030 -10.967 -16.038 1.00 0.00 H new ATOM 220 N ASP A 34 -2.475 -8.838 -19.348 1.00 0.00 N ATOM 221 CA ASP A 34 -1.693 -8.998 -20.562 1.00 0.00 C ATOM 222 C ASP A 34 -0.245 -9.324 -20.192 1.00 0.00 C ATOM 223 O ASP A 34 0.671 -8.580 -20.540 1.00 0.00 O ATOM 224 CB ASP A 34 -1.691 -7.711 -21.389 1.00 0.00 C ATOM 225 CG ASP A 34 -1.137 -7.854 -22.808 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.847 -8.281 -23.730 1.00 0.00 O ATOM 227 OD2 ASP A 34 0.095 -7.502 -22.950 1.00 0.00 O ATOM 0 H ASP A 34 -2.636 -7.870 -19.069 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.139 -9.802 -21.147 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.712 -7.335 -21.450 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.105 -6.959 -20.861 1.00 0.00 H new ATOM 228 N GLN A 35 -0.082 -10.436 -19.491 1.00 0.00 N ATOM 229 CA GLN A 35 1.239 -10.872 -19.073 1.00 0.00 C ATOM 230 C GLN A 35 2.136 -9.661 -18.804 1.00 0.00 C ATOM 231 O GLN A 35 3.306 -9.654 -19.186 1.00 0.00 O ATOM 232 CB GLN A 35 1.866 -11.798 -20.116 1.00 0.00 C ATOM 233 CG GLN A 35 1.514 -11.346 -21.534 1.00 0.00 C ATOM 234 CD GLN A 35 2.304 -12.139 -22.576 1.00 0.00 C ATOM 235 OE1 GLN A 35 3.284 -11.676 -23.135 1.00 0.00 O ATOM 236 NE2 GLN A 35 1.825 -13.359 -22.805 1.00 0.00 N ATOM 0 H GLN A 35 -0.844 -11.049 -19.202 1.00 0.00 H new ATOM 0 HA GLN A 35 1.138 -11.438 -18.147 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.949 -11.810 -19.993 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.516 -12.818 -19.959 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.446 -11.477 -21.706 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.727 -10.283 -21.644 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.000 -13.686 -22.302 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.283 -13.968 -23.483 1.00 0.00 H new ATOM 237 N CYS A 36 1.555 -8.668 -18.149 1.00 0.00 N ATOM 238 CA CYS A 36 2.332 -7.548 -17.645 1.00 0.00 C ATOM 239 C CYS A 36 1.383 -6.368 -17.420 1.00 0.00 C ATOM 240 O CYS A 36 1.346 -5.796 -16.331 1.00 0.00 O ATOM 241 CB CYS A 36 3.479 -7.185 -18.590 1.00 0.00 C ATOM 242 SG CYS A 36 5.113 -7.851 -18.104 1.00 0.00 S ATOM 0 H CYS A 36 0.555 -8.615 -17.955 1.00 0.00 H new ATOM 0 HA CYS A 36 2.800 -7.823 -16.700 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.237 -7.548 -19.589 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.549 -6.099 -18.654 1.00 0.00 H new ATOM 243 N ARG A 37 0.640 -6.040 -18.467 1.00 0.00 N ATOM 244 CA ARG A 37 -0.291 -4.927 -18.403 1.00 0.00 C ATOM 245 C ARG A 37 -1.714 -5.437 -18.168 1.00 0.00 C ATOM 246 O ARG A 37 -1.927 -6.636 -17.997 1.00 0.00 O ATOM 247 CB ARG A 37 -0.258 -4.106 -19.694 1.00 0.00 C ATOM 248 CG ARG A 37 0.667 -2.896 -19.553 1.00 0.00 C ATOM 249 CD ARG A 37 2.136 -3.313 -19.662 1.00 0.00 C ATOM 250 NE ARG A 37 2.409 -3.852 -21.012 1.00 0.00 N ATOM 251 CZ ARG A 37 3.556 -4.448 -21.366 1.00 0.00 C ATOM 252 NH1 ARG A 37 4.610 -4.416 -20.539 1.00 0.00 N ATOM 253 NH2 ARG A 37 3.650 -5.074 -22.546 1.00 0.00 N ATOM 0 H ARG A 37 0.664 -6.525 -19.364 1.00 0.00 H new ATOM 0 HA ARG A 37 0.012 -4.290 -17.572 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.081 -4.733 -20.519 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.265 -3.771 -19.941 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.435 -2.164 -20.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.493 -2.411 -18.593 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.781 -2.457 -19.466 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.366 -4.065 -18.907 1.00 0.00 H new ATOM 0 HE ARG A 37 1.678 -3.765 -21.718 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.539 -3.938 -19.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.483 -4.869 -20.808 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.848 -5.097 -23.176 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.523 -5.527 -22.815 1.00 0.00 H new ATOM 254 N PHE A 38 -2.652 -4.501 -18.165 1.00 0.00 N ATOM 255 CA PHE A 38 -4.059 -4.851 -18.083 1.00 0.00 C ATOM 256 C PHE A 38 -4.688 -4.925 -19.475 1.00 0.00 C ATOM 257 O PHE A 38 -4.146 -4.381 -20.436 1.00 0.00 O ATOM 258 CB PHE A 38 -4.750 -3.745 -17.282 1.00 0.00 C ATOM 259 CG PHE A 38 -5.047 -4.122 -15.829 1.00 0.00 C ATOM 260 CD1 PHE A 38 -4.253 -5.015 -15.182 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.107 -3.562 -15.186 1.00 0.00 C ATOM 262 CE1 PHE A 38 -4.529 -5.364 -13.834 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.383 -3.911 -13.838 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.588 -4.805 -13.189 1.00 0.00 C ATOM 0 H PHE A 38 -2.464 -3.500 -18.218 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.172 -5.827 -17.610 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.121 -2.855 -17.294 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.685 -3.482 -17.777 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.412 -5.459 -15.693 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.738 -2.853 -15.701 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.898 -6.074 -13.320 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.224 -3.467 -13.327 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.798 -5.070 -12.163 1.00 0.00 H new ATOM 265 N LYS A 39 -5.825 -5.605 -19.541 1.00 0.00 N ATOM 266 CA LYS A 39 -6.500 -5.813 -20.811 1.00 0.00 C ATOM 267 C LYS A 39 -7.698 -4.867 -20.908 1.00 0.00 C ATOM 268 O LYS A 39 -7.901 -4.026 -20.034 1.00 0.00 O ATOM 269 CB LYS A 39 -6.864 -7.288 -20.987 1.00 0.00 C ATOM 270 CG LYS A 39 -5.841 -8.193 -20.297 1.00 0.00 C ATOM 271 CD LYS A 39 -5.896 -9.613 -20.864 1.00 0.00 C ATOM 272 CE LYS A 39 -5.172 -9.694 -22.209 1.00 0.00 C ATOM 273 NZ LYS A 39 -4.797 -11.094 -22.511 1.00 0.00 N ATOM 0 H LYS A 39 -6.295 -6.018 -18.736 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.836 -5.571 -21.641 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.855 -7.473 -20.574 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.911 -7.530 -22.049 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.840 -7.783 -20.429 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.036 -8.218 -19.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.440 -10.308 -20.159 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.935 -9.919 -20.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.814 -9.305 -22.999 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.279 -9.069 -22.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.306 -11.132 -23.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.167 -11.453 -21.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.654 -11.682 -22.553 1.00 0.00 H new ATOM 274 N LYS A 40 -8.459 -5.036 -21.979 1.00 0.00 N ATOM 275 CA LYS A 40 -9.655 -4.236 -22.182 1.00 0.00 C ATOM 276 C LYS A 40 -10.874 -5.157 -22.259 1.00 0.00 C ATOM 277 O LYS A 40 -10.733 -6.361 -22.468 1.00 0.00 O ATOM 278 CB LYS A 40 -9.491 -3.328 -23.402 1.00 0.00 C ATOM 279 CG LYS A 40 -10.085 -3.979 -24.653 1.00 0.00 C ATOM 280 CD LYS A 40 -9.261 -5.194 -25.083 1.00 0.00 C ATOM 281 CE LYS A 40 -9.670 -5.669 -26.478 1.00 0.00 C ATOM 282 NZ LYS A 40 -10.953 -6.406 -26.419 1.00 0.00 N ATOM 0 H LYS A 40 -8.271 -5.716 -22.716 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.814 -3.568 -21.336 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.981 -2.372 -23.217 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.434 -3.118 -23.564 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.113 -4.284 -24.456 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.118 -3.252 -25.465 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.201 -4.939 -25.078 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.398 -6.003 -24.365 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.766 -4.813 -27.146 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.893 -6.312 -26.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.518 -6.188 -27.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.765 -7.428 -26.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.479 -6.120 -25.569 1.00 0.00 H new ATOM 283 N LYS A 41 -12.042 -4.557 -22.087 1.00 0.00 N ATOM 284 CA LYS A 41 -13.279 -5.319 -22.064 1.00 0.00 C ATOM 285 C LYS A 41 -13.390 -6.139 -23.351 1.00 0.00 C ATOM 286 O LYS A 41 -12.673 -5.885 -24.318 1.00 0.00 O ATOM 287 CB LYS A 41 -14.472 -4.394 -21.819 1.00 0.00 C ATOM 288 CG LYS A 41 -15.703 -5.191 -21.381 1.00 0.00 C ATOM 289 CD LYS A 41 -16.683 -4.307 -20.607 1.00 0.00 C ATOM 290 CE LYS A 41 -17.297 -3.242 -21.518 1.00 0.00 C ATOM 291 NZ LYS A 41 -16.736 -1.908 -21.207 1.00 0.00 N ATOM 0 H LYS A 41 -12.158 -3.551 -21.962 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.277 -6.026 -21.234 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.217 -3.661 -21.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.699 -3.838 -22.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.199 -5.610 -22.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.394 -6.030 -20.757 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.473 -4.923 -20.178 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.167 -3.826 -19.776 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.102 -3.491 -22.561 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.379 -3.226 -21.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.163 -1.197 -21.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.944 -1.666 -20.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.706 -1.922 -21.351 1.00 0.00 H new ATOM 292 N ARG A 42 -14.295 -7.106 -23.322 1.00 0.00 N ATOM 293 CA ARG A 42 -14.582 -7.899 -24.504 1.00 0.00 C ATOM 294 C ARG A 42 -13.527 -8.994 -24.680 1.00 0.00 C ATOM 295 O ARG A 42 -13.410 -9.581 -25.755 1.00 0.00 O ATOM 296 CB ARG A 42 -14.614 -7.024 -25.759 1.00 0.00 C ATOM 297 CG ARG A 42 -15.603 -7.574 -26.788 1.00 0.00 C ATOM 298 CD ARG A 42 -15.515 -6.798 -28.104 1.00 0.00 C ATOM 299 NE ARG A 42 -16.482 -7.348 -29.081 1.00 0.00 N ATOM 300 CZ ARG A 42 -17.731 -6.890 -29.240 1.00 0.00 C ATOM 301 NH1 ARG A 42 -18.261 -6.058 -28.332 1.00 0.00 N ATOM 302 NH2 ARG A 42 -18.451 -7.264 -30.306 1.00 0.00 N ATOM 0 H ARG A 42 -14.840 -7.358 -22.497 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.563 -8.355 -24.367 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.894 -6.006 -25.489 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.617 -6.975 -26.198 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.396 -8.629 -26.969 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.617 -7.512 -26.392 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.723 -5.743 -27.928 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.504 -6.861 -28.506 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.178 -8.124 -29.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.713 -5.774 -27.520 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.212 -5.709 -28.453 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.048 -7.897 -30.997 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.402 -6.915 -30.427 1.00 0.00 H new ATOM 303 N THR A 43 -12.788 -9.234 -23.608 1.00 0.00 N ATOM 304 CA THR A 43 -11.826 -10.324 -23.592 1.00 0.00 C ATOM 305 C THR A 43 -12.412 -11.543 -22.878 1.00 0.00 C ATOM 306 O THR A 43 -12.998 -11.416 -21.804 1.00 0.00 O ATOM 307 CB THR A 43 -10.537 -9.807 -22.952 1.00 0.00 C ATOM 308 OG1 THR A 43 -9.570 -9.898 -23.995 1.00 0.00 O ATOM 309 CG2 THR A 43 -10.004 -10.745 -21.867 1.00 0.00 C ATOM 0 H THR A 43 -12.835 -8.693 -22.744 1.00 0.00 H new ATOM 0 HA THR A 43 -11.593 -10.660 -24.602 1.00 0.00 H new ATOM 0 HB THR A 43 -10.716 -8.821 -22.523 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.703 -9.580 -23.666 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.088 -10.331 -21.446 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.750 -10.851 -21.079 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.794 -11.722 -22.302 1.00 0.00 H new ATOM 310 N ILE A 44 -12.236 -12.698 -23.504 1.00 0.00 N ATOM 311 CA ILE A 44 -12.837 -13.921 -23.001 1.00 0.00 C ATOM 312 C ILE A 44 -12.024 -14.430 -21.808 1.00 0.00 C ATOM 313 O ILE A 44 -10.845 -14.751 -21.946 1.00 0.00 O ATOM 314 CB ILE A 44 -12.984 -14.947 -24.126 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.732 -14.349 -25.319 1.00 0.00 C ATOM 316 CG2 ILE A 44 -13.649 -16.228 -23.617 1.00 0.00 C ATOM 317 CD1 ILE A 44 -15.121 -13.857 -24.904 1.00 0.00 C ATOM 0 H ILE A 44 -11.686 -12.812 -24.355 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.848 -13.729 -22.641 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.987 -15.218 -24.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.158 -13.521 -25.735 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.827 -15.098 -26.106 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.741 -16.940 -24.437 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.041 -16.664 -22.824 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.639 -15.994 -23.227 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.632 -13.436 -25.770 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.701 -14.692 -24.511 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.021 -13.091 -24.135 1.00 0.00 H new ATOM 318 N CYS A 45 -12.687 -14.487 -20.663 1.00 0.00 N ATOM 319 CA CYS A 45 -12.020 -14.865 -19.429 1.00 0.00 C ATOM 320 C CYS A 45 -12.378 -16.318 -19.112 1.00 0.00 C ATOM 321 O CYS A 45 -11.586 -17.040 -18.510 1.00 0.00 O ATOM 322 CB CYS A 45 -12.384 -13.923 -18.277 1.00 0.00 C ATOM 323 SG CYS A 45 -13.384 -14.687 -16.950 1.00 0.00 S ATOM 0 H CYS A 45 -13.680 -14.278 -20.564 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.941 -14.778 -19.556 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.464 -13.533 -17.841 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.932 -13.072 -18.681 1.00 0.00 H new ATOM 324 N ARG A 46 -13.575 -16.703 -19.533 1.00 0.00 N ATOM 325 CA ARG A 46 -14.058 -18.050 -19.281 1.00 0.00 C ATOM 326 C ARG A 46 -14.924 -18.530 -20.447 1.00 0.00 C ATOM 327 O ARG A 46 -15.611 -17.733 -21.084 1.00 0.00 O ATOM 328 CB ARG A 46 -14.876 -18.109 -17.990 1.00 0.00 C ATOM 329 CG ARG A 46 -14.568 -19.384 -17.203 1.00 0.00 C ATOM 330 CD ARG A 46 -13.333 -19.197 -16.318 1.00 0.00 C ATOM 331 NE ARG A 46 -12.945 -20.491 -15.712 1.00 0.00 N ATOM 332 CZ ARG A 46 -12.061 -21.339 -16.253 1.00 0.00 C ATOM 333 NH1 ARG A 46 -11.661 -21.172 -17.521 1.00 0.00 N ATOM 334 NH2 ARG A 46 -11.576 -22.355 -15.526 1.00 0.00 N ATOM 0 H ARG A 46 -14.223 -16.106 -20.046 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.189 -18.700 -19.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.656 -17.236 -17.376 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.939 -18.072 -18.227 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.426 -19.651 -16.585 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.403 -20.211 -17.894 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.508 -18.801 -16.910 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.543 -18.468 -15.536 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.378 -20.753 -14.827 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.030 -20.399 -18.074 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.988 -21.818 -17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.880 -22.482 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.903 -23.001 -15.938 1.00 0.00 H new ATOM 335 N ILE A 47 -14.863 -19.831 -20.692 1.00 0.00 N ATOM 336 CA ILE A 47 -15.625 -20.424 -21.777 1.00 0.00 C ATOM 337 C ILE A 47 -16.959 -20.940 -21.236 1.00 0.00 C ATOM 338 O ILE A 47 -17.090 -21.196 -20.040 1.00 0.00 O ATOM 339 CB ILE A 47 -14.797 -21.495 -22.491 1.00 0.00 C ATOM 340 CG1 ILE A 47 -13.336 -21.059 -22.627 1.00 0.00 C ATOM 341 CG2 ILE A 47 -15.415 -21.856 -23.843 1.00 0.00 C ATOM 342 CD1 ILE A 47 -13.217 -19.804 -23.493 1.00 0.00 C ATOM 0 H ILE A 47 -14.298 -20.491 -20.157 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.856 -19.674 -22.534 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.808 -22.398 -21.881 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.917 -20.865 -21.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.751 -21.866 -23.068 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.807 -22.619 -24.329 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.424 -22.239 -23.691 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.455 -20.968 -24.474 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.169 -19.516 -23.574 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.614 -20.009 -24.487 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.783 -18.992 -23.036 1.00 0.00 H new ATOM 343 N ALA A 48 -17.917 -21.075 -22.141 1.00 0.00 N ATOM 344 CA ALA A 48 -19.226 -21.589 -21.775 1.00 0.00 C ATOM 345 C ALA A 48 -19.495 -22.883 -22.546 1.00 0.00 C ATOM 346 O ALA A 48 -18.857 -23.149 -23.563 1.00 0.00 O ATOM 347 CB ALA A 48 -20.287 -20.519 -22.043 1.00 0.00 C ATOM 0 H ALA A 48 -17.813 -20.837 -23.127 1.00 0.00 H new ATOM 0 HA ALA A 48 -19.262 -21.826 -20.712 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -21.269 -20.904 -21.769 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.066 -19.631 -21.450 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.282 -20.259 -23.101 1.00 0.00 H new ATOM 348 N ARG A 49 -20.441 -23.655 -22.031 1.00 0.00 N ATOM 349 CA ARG A 49 -20.807 -24.912 -22.661 1.00 0.00 C ATOM 350 C ARG A 49 -21.730 -24.658 -23.855 1.00 0.00 C ATOM 351 O ARG A 49 -22.740 -23.967 -23.727 1.00 0.00 O ATOM 352 CB ARG A 49 -21.510 -25.842 -21.670 1.00 0.00 C ATOM 353 CG ARG A 49 -22.925 -25.347 -21.364 1.00 0.00 C ATOM 354 CD ARG A 49 -23.452 -25.964 -20.067 1.00 0.00 C ATOM 355 NE ARG A 49 -24.649 -25.226 -19.606 1.00 0.00 N ATOM 356 CZ ARG A 49 -24.603 -24.088 -18.900 1.00 0.00 C ATOM 357 NH1 ARG A 49 -23.430 -23.475 -18.693 1.00 0.00 N ATOM 358 NH2 ARG A 49 -25.731 -23.562 -18.402 1.00 0.00 N ATOM 0 H ARG A 49 -20.965 -23.434 -21.184 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.889 -25.391 -23.002 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -21.554 -26.851 -22.081 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.933 -25.899 -20.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.924 -24.260 -21.280 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -23.590 -25.602 -22.189 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -23.701 -27.013 -20.228 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -22.678 -25.934 -19.300 1.00 0.00 H new ATOM 0 HE ARG A 49 -25.566 -25.607 -19.840 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.572 -23.874 -19.073 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.395 -22.609 -18.156 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -26.624 -24.028 -18.560 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.696 -22.696 -17.865 1.00 0.00 H new ATOM 359 N GLY A 50 -21.352 -25.231 -24.988 1.00 0.00 N ATOM 360 CA GLY A 50 -22.186 -25.165 -26.175 1.00 0.00 C ATOM 361 C GLY A 50 -21.908 -23.886 -26.969 1.00 0.00 C ATOM 362 O GLY A 50 -20.781 -23.396 -26.988 1.00 0.00 O ATOM 0 H GLY A 50 -20.478 -25.743 -25.109 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.000 -26.036 -26.804 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.237 -25.198 -25.888 1.00 0.00 H new ATOM 363 N ASP A 51 -22.957 -23.383 -27.606 1.00 0.00 N ATOM 364 CA ASP A 51 -22.844 -22.163 -28.386 1.00 0.00 C ATOM 365 C ASP A 51 -23.260 -20.971 -27.522 1.00 0.00 C ATOM 366 O ASP A 51 -23.903 -20.042 -28.009 1.00 0.00 O ATOM 367 CB ASP A 51 -23.761 -22.204 -29.610 1.00 0.00 C ATOM 368 CG ASP A 51 -23.515 -21.100 -30.639 1.00 0.00 C ATOM 369 OD1 ASP A 51 -22.379 -21.163 -31.246 1.00 0.00 O ATOM 370 OD2 ASP A 51 -24.367 -20.225 -30.853 1.00 0.00 O ATOM 0 H ASP A 51 -23.888 -23.799 -27.597 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.809 -22.067 -28.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.644 -23.170 -30.101 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -24.796 -22.141 -29.272 1.00 0.00 H new ATOM 371 N PHE A 52 -22.876 -21.036 -26.256 1.00 0.00 N ATOM 372 CA PHE A 52 -23.206 -19.976 -25.319 1.00 0.00 C ATOM 373 C PHE A 52 -22.340 -18.738 -25.563 1.00 0.00 C ATOM 374 O PHE A 52 -21.294 -18.825 -26.204 1.00 0.00 O ATOM 375 CB PHE A 52 -22.922 -20.515 -23.915 1.00 0.00 C ATOM 376 CG PHE A 52 -24.096 -21.270 -23.289 1.00 0.00 C ATOM 377 CD1 PHE A 52 -24.824 -22.138 -24.040 1.00 0.00 C ATOM 378 CD2 PHE A 52 -24.411 -21.072 -21.980 1.00 0.00 C ATOM 379 CE1 PHE A 52 -25.914 -22.838 -23.459 1.00 0.00 C ATOM 380 CE2 PHE A 52 -25.500 -21.773 -21.399 1.00 0.00 C ATOM 381 CZ PHE A 52 -26.229 -22.641 -22.150 1.00 0.00 C ATOM 0 H PHE A 52 -22.339 -21.806 -25.857 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.250 -19.685 -25.439 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.059 -21.179 -23.960 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.651 -19.683 -23.265 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -24.573 -22.295 -25.079 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -23.833 -20.382 -21.384 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -26.493 -23.527 -24.056 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -25.750 -21.617 -20.360 1.00 0.00 H new ATOM 0 HZ PHE A 52 -27.058 -23.174 -21.708 1.00 0.00 H new ATOM 382 N PRO A 53 -22.821 -17.585 -25.024 1.00 0.00 N ATOM 383 CA PRO A 53 -22.002 -16.385 -24.974 1.00 0.00 C ATOM 384 C PRO A 53 -20.937 -16.492 -23.882 1.00 0.00 C ATOM 385 O PRO A 53 -21.213 -16.227 -22.713 1.00 0.00 O ATOM 386 CB PRO A 53 -22.985 -15.250 -24.736 1.00 0.00 C ATOM 387 CG PRO A 53 -24.251 -15.899 -24.201 1.00 0.00 C ATOM 388 CD PRO A 53 -24.149 -17.394 -24.450 1.00 0.00 C ATOM 0 HA PRO A 53 -21.438 -16.222 -25.892 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.584 -14.530 -24.023 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.185 -14.707 -25.660 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -24.363 -15.696 -23.136 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -25.130 -15.488 -24.698 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -24.265 -17.958 -23.525 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.928 -17.736 -25.132 1.00 0.00 H new ATOM 389 N ASP A 54 -19.742 -16.881 -24.301 1.00 0.00 N ATOM 390 CA ASP A 54 -18.649 -17.083 -23.365 1.00 0.00 C ATOM 391 C ASP A 54 -18.474 -15.824 -22.514 1.00 0.00 C ATOM 392 O ASP A 54 -18.824 -14.726 -22.944 1.00 0.00 O ATOM 393 CB ASP A 54 -17.334 -17.343 -24.102 1.00 0.00 C ATOM 394 CG ASP A 54 -17.347 -18.549 -25.043 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.904 -19.609 -24.563 1.00 0.00 O ATOM 396 OD2 ASP A 54 -16.850 -18.480 -26.177 1.00 0.00 O ATOM 0 H ASP A 54 -19.506 -17.062 -25.277 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.891 -17.946 -22.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -17.076 -16.454 -24.678 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.544 -17.485 -23.365 1.00 0.00 H new ATOM 397 N ASP A 55 -17.931 -16.024 -21.322 1.00 0.00 N ATOM 398 CA ASP A 55 -17.802 -14.938 -20.367 1.00 0.00 C ATOM 399 C ASP A 55 -16.678 -14.002 -20.815 1.00 0.00 C ATOM 400 O ASP A 55 -15.696 -14.444 -21.409 1.00 0.00 O ATOM 401 CB ASP A 55 -17.448 -15.468 -18.975 1.00 0.00 C ATOM 402 CG ASP A 55 -17.431 -14.413 -17.867 1.00 0.00 C ATOM 403 OD1 ASP A 55 -16.359 -13.696 -17.813 1.00 0.00 O ATOM 404 OD2 ASP A 55 -18.392 -14.282 -17.094 1.00 0.00 O ATOM 0 H ASP A 55 -17.575 -16.923 -20.996 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.756 -14.413 -20.322 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.164 -16.245 -18.706 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.467 -15.941 -19.021 1.00 0.00 H new ATOM 405 N ARG A 56 -16.861 -12.723 -20.515 1.00 0.00 N ATOM 406 CA ARG A 56 -15.875 -11.721 -20.878 1.00 0.00 C ATOM 407 C ARG A 56 -15.565 -10.822 -19.681 1.00 0.00 C ATOM 408 O ARG A 56 -16.427 -10.589 -18.835 1.00 0.00 O ATOM 409 CB ARG A 56 -16.370 -10.858 -22.041 1.00 0.00 C ATOM 410 CG ARG A 56 -17.898 -10.842 -22.099 1.00 0.00 C ATOM 411 CD ARG A 56 -18.393 -10.024 -23.295 1.00 0.00 C ATOM 412 NE ARG A 56 -18.109 -10.747 -24.554 1.00 0.00 N ATOM 413 CZ ARG A 56 -18.743 -11.863 -24.939 1.00 0.00 C ATOM 414 NH1 ARG A 56 -19.794 -12.312 -24.239 1.00 0.00 N ATOM 415 NH2 ARG A 56 -18.325 -12.531 -26.023 1.00 0.00 N ATOM 0 H ARG A 56 -17.678 -12.359 -20.025 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.970 -12.244 -21.187 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.996 -9.840 -21.928 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.971 -11.242 -22.980 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -18.273 -11.863 -22.172 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.296 -10.421 -21.176 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -19.464 -9.842 -23.204 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.904 -9.050 -23.307 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.385 -10.373 -25.167 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.111 -11.804 -23.413 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.277 -13.161 -24.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.524 -12.190 -26.555 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.808 -13.381 -26.316 1.00 0.00 H new ATOM 416 N CYS A 57 -14.330 -10.341 -19.645 1.00 0.00 N ATOM 417 CA CYS A 57 -13.839 -9.625 -18.480 1.00 0.00 C ATOM 418 C CYS A 57 -14.312 -8.172 -18.575 1.00 0.00 C ATOM 419 O CYS A 57 -15.120 -7.834 -19.438 1.00 0.00 O ATOM 420 CB CYS A 57 -12.317 -9.723 -18.356 1.00 0.00 C ATOM 421 SG CYS A 57 -11.702 -10.003 -16.656 1.00 0.00 S ATOM 0 H CYS A 57 -13.655 -10.433 -20.404 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.241 -10.079 -17.574 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.966 -10.535 -18.993 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.875 -8.804 -18.740 1.00 0.00 H new ATOM 422 N THR A 58 -13.788 -7.354 -17.675 1.00 0.00 N ATOM 423 CA THR A 58 -14.151 -5.947 -17.641 1.00 0.00 C ATOM 424 C THR A 58 -13.044 -5.096 -18.267 1.00 0.00 C ATOM 425 O THR A 58 -13.312 -4.028 -18.815 1.00 0.00 O ATOM 426 CB THR A 58 -14.458 -5.573 -16.190 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.304 -5.995 -15.470 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.594 -6.410 -15.598 1.00 0.00 C ATOM 0 H THR A 58 -13.115 -7.638 -16.963 1.00 0.00 H new ATOM 0 HA THR A 58 -15.043 -5.754 -18.237 1.00 0.00 H new ATOM 0 HB THR A 58 -14.719 -4.516 -16.135 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.563 -6.658 -14.796 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.772 -6.105 -14.567 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.501 -6.258 -16.183 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.320 -7.465 -15.622 1.00 0.00 H new ATOM 429 N GLY A 59 -11.823 -5.600 -18.162 1.00 0.00 N ATOM 430 CA GLY A 59 -10.674 -4.896 -18.705 1.00 0.00 C ATOM 431 C GLY A 59 -9.818 -4.299 -17.586 1.00 0.00 C ATOM 432 O GLY A 59 -8.590 -4.348 -17.645 1.00 0.00 O ATOM 0 H GLY A 59 -11.605 -6.487 -17.709 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.072 -5.581 -19.302 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.011 -4.103 -19.373 1.00 0.00 H new ATOM 433 N LEU A 60 -10.500 -3.749 -16.592 1.00 0.00 N ATOM 434 CA LEU A 60 -9.820 -3.080 -15.496 1.00 0.00 C ATOM 435 C LEU A 60 -9.752 -4.022 -14.293 1.00 0.00 C ATOM 436 O LEU A 60 -9.940 -3.595 -13.155 1.00 0.00 O ATOM 437 CB LEU A 60 -10.487 -1.738 -15.191 1.00 0.00 C ATOM 438 CG LEU A 60 -12.014 -1.751 -15.110 1.00 0.00 C ATOM 439 CD1 LEU A 60 -12.636 -1.767 -16.508 1.00 0.00 C ATOM 440 CD2 LEU A 60 -12.508 -2.915 -14.249 1.00 0.00 C ATOM 0 H LEU A 60 -11.518 -3.753 -16.523 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.793 -2.842 -15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.096 -1.368 -14.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.190 -1.024 -15.959 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.339 -0.831 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.723 -1.776 -16.423 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.322 -0.878 -17.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.307 -2.658 -17.043 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.597 -2.901 -14.208 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.173 -3.857 -14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.106 -2.818 -13.241 1.00 0.00 H new ATOM 441 N SER A 61 -9.484 -5.286 -14.585 1.00 0.00 N ATOM 442 CA SER A 61 -9.365 -6.287 -13.539 1.00 0.00 C ATOM 443 C SER A 61 -8.435 -7.413 -13.996 1.00 0.00 C ATOM 444 O SER A 61 -8.283 -7.651 -15.193 1.00 0.00 O ATOM 445 CB SER A 61 -10.734 -6.851 -13.158 1.00 0.00 C ATOM 446 OG SER A 61 -11.755 -5.859 -13.216 1.00 0.00 O ATOM 0 H SER A 61 -9.346 -5.640 -15.532 1.00 0.00 H new ATOM 0 HA SER A 61 -8.941 -5.810 -12.656 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.987 -7.672 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.688 -7.265 -12.151 1.00 0.00 H new ATOM 0 HG SER A 61 -12.173 -5.871 -14.102 1.00 0.00 H new ATOM 447 N ASN A 62 -7.836 -8.077 -13.018 1.00 0.00 N ATOM 448 CA ASN A 62 -6.990 -9.224 -13.300 1.00 0.00 C ATOM 449 C ASN A 62 -7.766 -10.509 -13.006 1.00 0.00 C ATOM 450 O ASN A 62 -7.444 -11.568 -13.541 1.00 0.00 O ATOM 451 CB ASN A 62 -5.739 -9.215 -12.419 1.00 0.00 C ATOM 452 CG ASN A 62 -5.385 -10.630 -11.955 1.00 0.00 C ATOM 453 OD1 ASN A 62 -5.879 -11.125 -10.955 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.504 -11.250 -12.735 1.00 0.00 N ATOM 0 H ASN A 62 -7.920 -7.842 -12.029 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.694 -9.175 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.902 -8.790 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.905 -8.575 -11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.203 -12.198 -12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.130 -10.777 -13.558 1.00 0.00 H new ATOM 455 N ASP A 63 -8.773 -10.373 -12.156 1.00 0.00 N ATOM 456 CA ASP A 63 -9.604 -11.509 -11.793 1.00 0.00 C ATOM 457 C ASP A 63 -10.506 -11.873 -12.973 1.00 0.00 C ATOM 458 O ASP A 63 -10.632 -11.104 -13.924 1.00 0.00 O ATOM 459 CB ASP A 63 -10.500 -11.176 -10.598 1.00 0.00 C ATOM 460 CG ASP A 63 -9.913 -10.165 -9.610 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.617 -9.016 -10.118 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.746 -10.459 -8.418 1.00 0.00 O ATOM 0 H ASP A 63 -9.032 -9.494 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.947 -12.338 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.448 -10.788 -10.971 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.722 -12.099 -10.062 1.00 0.00 H new ATOM 463 N CYS A 64 -11.111 -13.048 -12.873 1.00 0.00 N ATOM 464 CA CYS A 64 -11.913 -13.572 -13.966 1.00 0.00 C ATOM 465 C CYS A 64 -13.175 -14.205 -13.375 1.00 0.00 C ATOM 466 O CYS A 64 -13.155 -15.359 -12.952 1.00 0.00 O ATOM 467 CB CYS A 64 -11.124 -14.565 -14.821 1.00 0.00 C ATOM 468 SG CYS A 64 -12.151 -15.718 -15.803 1.00 0.00 S ATOM 0 H CYS A 64 -11.062 -13.652 -12.052 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.194 -12.760 -14.636 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.480 -14.006 -15.500 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.472 -15.147 -14.169 1.00 0.00 H new ATOM 469 N PRO A 65 -14.271 -13.400 -13.364 1.00 0.00 N ATOM 470 CA PRO A 65 -15.556 -13.892 -12.898 1.00 0.00 C ATOM 471 C PRO A 65 -16.200 -14.813 -13.936 1.00 0.00 C ATOM 472 O PRO A 65 -16.204 -14.505 -15.127 1.00 0.00 O ATOM 473 CB PRO A 65 -16.378 -12.643 -12.621 1.00 0.00 C ATOM 474 CG PRO A 65 -15.694 -11.517 -13.378 1.00 0.00 C ATOM 475 CD PRO A 65 -14.315 -12.006 -13.795 1.00 0.00 C ATOM 0 HA PRO A 65 -15.471 -14.505 -12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.407 -12.770 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.415 -12.429 -11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.280 -11.234 -14.253 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.611 -10.630 -12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.173 -11.920 -14.872 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.527 -11.420 -13.322 1.00 0.00 H new ATOM 476 N ARG A 66 -16.728 -15.925 -13.447 1.00 0.00 N ATOM 477 CA ARG A 66 -17.391 -16.884 -14.315 1.00 0.00 C ATOM 478 C ARG A 66 -18.749 -16.342 -14.765 1.00 0.00 C ATOM 479 O ARG A 66 -19.267 -15.391 -14.181 1.00 0.00 O ATOM 480 CB ARG A 66 -17.596 -18.222 -13.603 1.00 0.00 C ATOM 481 CG ARG A 66 -16.318 -18.661 -12.883 1.00 0.00 C ATOM 482 CD ARG A 66 -16.346 -20.161 -12.581 1.00 0.00 C ATOM 483 NE ARG A 66 -15.321 -20.492 -11.567 1.00 0.00 N ATOM 484 CZ ARG A 66 -15.250 -21.666 -10.926 1.00 0.00 C ATOM 485 NH1 ARG A 66 -16.057 -22.674 -11.283 1.00 0.00 N ATOM 486 NH2 ARG A 66 -14.373 -21.832 -9.926 1.00 0.00 N ATOM 0 H ARG A 66 -16.710 -16.184 -12.461 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.752 -17.041 -15.184 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.411 -18.135 -12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.889 -18.982 -14.327 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.450 -18.427 -13.500 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.209 -18.101 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.333 -20.449 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.163 -20.728 -13.494 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.625 -19.782 -11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.725 -22.547 -12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.003 -23.568 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.760 -21.064 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.319 -22.726 -9.438 1.00 0.00 H new ATOM 487 N TRP A 67 -19.287 -16.970 -15.800 1.00 0.00 N ATOM 488 CA TRP A 67 -20.608 -16.611 -16.289 1.00 0.00 C ATOM 489 C TRP A 67 -21.641 -17.147 -15.294 1.00 0.00 C ATOM 490 O TRP A 67 -22.125 -18.269 -15.442 1.00 0.00 O ATOM 491 CB TRP A 67 -20.825 -17.126 -17.712 1.00 0.00 C ATOM 492 CG TRP A 67 -21.630 -16.177 -18.603 1.00 0.00 C ATOM 493 CD1 TRP A 67 -21.285 -14.956 -19.029 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.938 -16.424 -19.161 1.00 0.00 C ATOM 495 NE1 TRP A 67 -22.270 -14.398 -19.818 1.00 0.00 N ATOM 496 CE2 TRP A 67 -23.307 -15.320 -19.901 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.780 -17.543 -19.044 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -24.527 -15.226 -20.582 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.996 -17.434 -19.730 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.383 -16.330 -20.480 1.00 0.00 C ATOM 0 H TRP A 67 -18.833 -17.725 -16.314 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.715 -15.528 -16.353 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.854 -17.305 -18.174 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.338 -18.086 -17.665 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -20.352 -14.469 -18.786 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -22.242 -13.479 -20.259 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.511 -18.418 -18.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.793 -14.350 -21.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.681 -18.267 -19.672 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.339 -16.323 -20.982 1.00 0.00 H new