USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 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 13 SER OG : rot 13:sc= -0.404 USER MOD Set 1.2: A 75 THR OG1 : rot -71:sc= 0.688 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.552 USER MOD Set 2.2: A 67 SER OG : rot 66:sc= -2.07! USER MOD Set 3.1: A 63 GLN : amide:sc= 0.067 K(o=0.14,f=0.77) USER MOD Set 3.2: A 65 TYR OH : rot 30:sc= 0.0757 USER MOD Single : A 12 MET CE :methyl -159:sc= -0.167 (180deg=-0.945) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0304) USER MOD Single : A 38 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 51 SER OG : rot 12:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.229) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 79.878 1.357 -24.711 1.00 5.46 N ATOM 2 CA GLU A 8 79.346 0.683 -23.486 1.00 4.83 C ATOM 3 C GLU A 8 78.868 1.731 -22.476 1.00 3.95 C ATOM 4 O GLU A 8 79.556 2.701 -22.212 1.00 4.18 O ATOM 5 CB GLU A 8 80.532 -0.103 -22.922 1.00 5.42 C ATOM 6 CG GLU A 8 80.047 -1.023 -21.799 1.00 5.94 C ATOM 7 CD GLU A 8 81.247 -1.725 -21.159 1.00 6.09 C ATOM 8 OE1 GLU A 8 82.087 -2.212 -21.899 1.00 6.58 O ATOM 9 OE2 GLU A 8 81.307 -1.762 -19.941 1.00 6.00 O ATOM 0 HA GLU A 8 78.495 0.037 -23.703 1.00 4.83 H new ATOM 0 HB2 GLU A 8 81.001 -0.691 -23.711 1.00 5.42 H new ATOM 0 HB3 GLU A 8 81.289 0.583 -22.543 1.00 5.42 H new ATOM 0 HG2 GLU A 8 79.508 -0.445 -21.049 1.00 5.94 H new ATOM 0 HG3 GLU A 8 79.349 -1.761 -22.195 1.00 5.94 H new ATOM 16 N GLY A 9 77.694 1.534 -21.917 1.00 3.44 N ATOM 17 CA GLY A 9 77.141 2.507 -20.927 1.00 3.05 C ATOM 18 C GLY A 9 77.635 2.146 -19.524 1.00 2.61 C ATOM 19 O GLY A 9 78.188 1.079 -19.314 1.00 2.83 O ATOM 0 H GLY A 9 77.093 0.732 -22.109 1.00 3.44 H new ATOM 0 HA2 GLY A 9 77.452 3.520 -21.184 1.00 3.05 H new ATOM 0 HA3 GLY A 9 76.051 2.491 -20.956 1.00 3.05 H new ATOM 23 N VAL A 10 77.437 3.030 -18.571 1.00 2.33 N ATOM 24 CA VAL A 10 77.867 2.752 -17.160 1.00 2.01 C ATOM 25 C VAL A 10 76.709 2.087 -16.401 1.00 1.63 C ATOM 26 O VAL A 10 75.566 2.485 -16.538 1.00 1.73 O ATOM 27 CB VAL A 10 78.217 4.126 -16.550 1.00 2.35 C ATOM 28 CG1 VAL A 10 78.696 3.958 -15.102 1.00 2.38 C ATOM 29 CG2 VAL A 10 79.340 4.791 -17.357 1.00 2.82 C ATOM 0 H VAL A 10 76.993 3.938 -18.711 1.00 2.33 H new ATOM 0 HA VAL A 10 78.721 2.077 -17.107 1.00 2.01 H new ATOM 0 HB VAL A 10 77.321 4.747 -16.575 1.00 2.35 H new ATOM 0 HG11 VAL A 10 78.940 4.935 -14.684 1.00 2.38 H new ATOM 0 HG12 VAL A 10 77.907 3.496 -14.509 1.00 2.38 H new ATOM 0 HG13 VAL A 10 79.582 3.324 -15.083 1.00 2.38 H new ATOM 0 HG21 VAL A 10 79.579 5.760 -16.918 1.00 2.82 H new ATOM 0 HG22 VAL A 10 80.226 4.156 -17.339 1.00 2.82 H new ATOM 0 HG23 VAL A 10 79.014 4.930 -18.388 1.00 2.82 H new ATOM 39 N ILE A 11 77.011 1.082 -15.608 1.00 1.46 N ATOM 40 CA ILE A 11 75.947 0.369 -14.830 1.00 1.23 C ATOM 41 C ILE A 11 76.072 0.740 -13.344 1.00 0.95 C ATOM 42 O ILE A 11 77.154 0.712 -12.785 1.00 1.13 O ATOM 43 CB ILE A 11 76.202 -1.137 -15.055 1.00 1.58 C ATOM 44 CG1 ILE A 11 76.105 -1.473 -16.550 1.00 1.90 C ATOM 45 CG2 ILE A 11 75.157 -1.970 -14.301 1.00 1.65 C ATOM 46 CD1 ILE A 11 76.693 -2.864 -16.802 1.00 2.73 C ATOM 0 H ILE A 11 77.956 0.724 -15.467 1.00 1.46 H new ATOM 0 HA ILE A 11 74.940 0.641 -15.148 1.00 1.23 H new ATOM 0 HB ILE A 11 77.200 -1.372 -14.686 1.00 1.58 H new ATOM 0 HG12 ILE A 11 75.064 -1.443 -16.873 1.00 1.90 H new ATOM 0 HG13 ILE A 11 76.643 -0.728 -17.136 1.00 1.90 H new ATOM 0 HG21 ILE A 11 75.348 -3.030 -14.468 1.00 1.65 H new ATOM 0 HG22 ILE A 11 75.219 -1.753 -13.235 1.00 1.65 H new ATOM 0 HG23 ILE A 11 74.160 -1.719 -14.664 1.00 1.65 H new ATOM 0 HD11 ILE A 11 76.624 -3.101 -17.864 1.00 2.73 H new ATOM 0 HD12 ILE A 11 77.739 -2.878 -16.495 1.00 2.73 H new ATOM 0 HD13 ILE A 11 76.136 -3.604 -16.227 1.00 2.73 H new ATOM 58 N MET A 12 74.969 1.082 -12.718 1.00 0.83 N ATOM 59 CA MET A 12 74.983 1.416 -11.259 1.00 0.66 C ATOM 60 C MET A 12 73.678 0.956 -10.594 1.00 0.53 C ATOM 61 O MET A 12 72.602 1.385 -10.975 1.00 0.72 O ATOM 62 CB MET A 12 75.152 2.944 -11.185 1.00 0.93 C ATOM 63 CG MET A 12 73.997 3.668 -11.896 1.00 1.18 C ATOM 64 SD MET A 12 74.439 5.405 -12.147 1.00 1.78 S ATOM 65 CE MET A 12 74.607 5.859 -10.376 1.00 2.19 C ATOM 0 H MET A 12 74.052 1.144 -13.161 1.00 0.83 H new ATOM 0 HA MET A 12 75.790 0.910 -10.728 1.00 0.66 H new ATOM 0 HB2 MET A 12 75.193 3.257 -10.142 1.00 0.93 H new ATOM 0 HB3 MET A 12 76.100 3.230 -11.642 1.00 0.93 H new ATOM 0 HG2 MET A 12 73.790 3.192 -12.854 1.00 1.18 H new ATOM 0 HG3 MET A 12 73.087 3.595 -11.301 1.00 1.18 H new ATOM 0 HE1 MET A 12 74.509 6.939 -10.266 1.00 2.19 H new ATOM 0 HE2 MET A 12 73.827 5.363 -9.798 1.00 2.19 H new ATOM 0 HE3 MET A 12 75.585 5.545 -10.011 1.00 2.19 H new ATOM 75 N SER A 13 73.777 0.093 -9.608 1.00 0.34 N ATOM 76 CA SER A 13 72.562 -0.400 -8.889 1.00 0.24 C ATOM 77 C SER A 13 72.396 0.344 -7.561 1.00 0.19 C ATOM 78 O SER A 13 73.360 0.841 -7.002 1.00 0.20 O ATOM 79 CB SER A 13 72.822 -1.885 -8.642 1.00 0.30 C ATOM 80 OG SER A 13 73.987 -2.033 -7.841 1.00 0.42 O ATOM 0 H SER A 13 74.658 -0.293 -9.269 1.00 0.34 H new ATOM 0 HA SER A 13 71.649 -0.237 -9.461 1.00 0.24 H new ATOM 0 HB2 SER A 13 71.965 -2.338 -8.144 1.00 0.30 H new ATOM 0 HB3 SER A 13 72.951 -2.406 -9.591 1.00 0.30 H new ATOM 0 HG SER A 13 74.233 -1.165 -7.458 1.00 0.42 H new ATOM 86 N GLU A 14 71.183 0.414 -7.058 1.00 0.16 N ATOM 87 CA GLU A 14 70.917 1.185 -5.804 1.00 0.16 C ATOM 88 C GLU A 14 69.698 0.621 -5.069 1.00 0.14 C ATOM 89 O GLU A 14 68.792 0.081 -5.679 1.00 0.14 O ATOM 90 CB GLU A 14 70.643 2.615 -6.272 1.00 0.22 C ATOM 91 CG GLU A 14 70.612 3.553 -5.064 1.00 0.85 C ATOM 92 CD GLU A 14 70.211 4.959 -5.516 1.00 0.88 C ATOM 93 OE1 GLU A 14 69.271 5.067 -6.288 1.00 1.34 O ATOM 94 OE2 GLU A 14 70.848 5.904 -5.082 1.00 1.46 O ATOM 0 H GLU A 14 70.363 -0.034 -7.467 1.00 0.16 H new ATOM 0 HA GLU A 14 71.754 1.131 -5.107 1.00 0.16 H new ATOM 0 HB2 GLU A 14 71.415 2.933 -6.973 1.00 0.22 H new ATOM 0 HB3 GLU A 14 69.692 2.659 -6.804 1.00 0.22 H new ATOM 0 HG2 GLU A 14 69.905 3.183 -4.322 1.00 0.85 H new ATOM 0 HG3 GLU A 14 71.591 3.579 -4.586 1.00 0.85 H new ATOM 101 N LEU A 15 69.682 0.745 -3.761 1.00 0.16 N ATOM 102 CA LEU A 15 68.467 0.389 -2.964 1.00 0.17 C ATOM 103 C LEU A 15 68.059 1.568 -2.074 1.00 0.19 C ATOM 104 O LEU A 15 68.882 2.131 -1.371 1.00 0.23 O ATOM 105 CB LEU A 15 68.893 -0.808 -2.110 1.00 0.20 C ATOM 106 CG LEU A 15 67.664 -1.408 -1.423 1.00 0.51 C ATOM 107 CD1 LEU A 15 66.823 -2.165 -2.452 1.00 1.15 C ATOM 108 CD2 LEU A 15 68.116 -2.374 -0.326 1.00 0.91 C ATOM 0 H LEU A 15 70.470 1.082 -3.208 1.00 0.16 H new ATOM 0 HA LEU A 15 67.609 0.154 -3.594 1.00 0.17 H new ATOM 0 HB2 LEU A 15 69.377 -1.559 -2.734 1.00 0.20 H new ATOM 0 HB3 LEU A 15 69.623 -0.495 -1.364 1.00 0.20 H new ATOM 0 HG LEU A 15 67.067 -0.609 -0.983 1.00 0.51 H new ATOM 0 HD11 LEU A 15 65.948 -2.592 -1.963 1.00 1.15 H new ATOM 0 HD12 LEU A 15 66.502 -1.479 -3.235 1.00 1.15 H new ATOM 0 HD13 LEU A 15 67.419 -2.964 -2.892 1.00 1.15 H new ATOM 0 HD21 LEU A 15 67.242 -2.802 0.164 1.00 0.91 H new ATOM 0 HD22 LEU A 15 68.712 -3.173 -0.767 1.00 0.91 H new ATOM 0 HD23 LEU A 15 68.716 -1.836 0.408 1.00 0.91 H new ATOM 120 N LYS A 16 66.799 1.940 -2.110 1.00 0.19 N ATOM 121 CA LYS A 16 66.302 3.048 -1.236 1.00 0.21 C ATOM 122 C LYS A 16 65.491 2.481 -0.068 1.00 0.16 C ATOM 123 O LYS A 16 64.611 1.658 -0.261 1.00 0.19 O ATOM 124 CB LYS A 16 65.412 3.907 -2.137 1.00 0.26 C ATOM 125 CG LYS A 16 66.267 4.942 -2.882 1.00 0.34 C ATOM 126 CD LYS A 16 65.441 6.203 -3.144 1.00 1.26 C ATOM 127 CE LYS A 16 66.228 7.154 -4.047 1.00 1.20 C ATOM 128 NZ LYS A 16 65.351 8.397 -4.171 1.00 1.97 N ATOM 0 H LYS A 16 66.091 1.519 -2.712 1.00 0.19 H new ATOM 0 HA LYS A 16 67.120 3.625 -0.805 1.00 0.21 H new ATOM 0 HB2 LYS A 16 64.886 3.275 -2.852 1.00 0.26 H new ATOM 0 HB3 LYS A 16 64.653 4.412 -1.539 1.00 0.26 H new ATOM 0 HG2 LYS A 16 67.150 5.190 -2.293 1.00 0.34 H new ATOM 0 HG3 LYS A 16 66.620 4.525 -3.825 1.00 0.34 H new ATOM 0 HD2 LYS A 16 64.494 5.938 -3.615 1.00 1.26 H new ATOM 0 HD3 LYS A 16 65.201 6.695 -2.201 1.00 1.26 H new ATOM 0 HE2 LYS A 16 67.198 7.397 -3.614 1.00 1.20 H new ATOM 0 HE3 LYS A 16 66.418 6.706 -5.022 1.00 1.20 H new ATOM 0 HZ1 LYS A 16 65.825 9.097 -4.777 1.00 1.97 H new ATOM 0 HZ2 LYS A 16 64.437 8.136 -4.593 1.00 1.97 H new ATOM 0 HZ3 LYS A 16 65.193 8.806 -3.228 1.00 1.97 H new ATOM 142 N LEU A 17 65.783 2.929 1.133 1.00 0.17 N ATOM 143 CA LEU A 17 65.126 2.358 2.351 1.00 0.17 C ATOM 144 C LEU A 17 64.492 3.474 3.186 1.00 0.17 C ATOM 145 O LEU A 17 64.925 4.612 3.136 1.00 0.18 O ATOM 146 CB LEU A 17 66.258 1.693 3.136 1.00 0.23 C ATOM 147 CG LEU A 17 66.777 0.478 2.365 1.00 0.24 C ATOM 148 CD1 LEU A 17 68.184 0.128 2.854 1.00 0.33 C ATOM 149 CD2 LEU A 17 65.844 -0.713 2.601 1.00 0.28 C ATOM 0 H LEU A 17 66.455 3.673 1.321 1.00 0.17 H new ATOM 0 HA LEU A 17 64.332 1.656 2.097 1.00 0.17 H new ATOM 0 HB2 LEU A 17 67.067 2.405 3.299 1.00 0.23 H new ATOM 0 HB3 LEU A 17 65.900 1.386 4.119 1.00 0.23 H new ATOM 0 HG LEU A 17 66.809 0.709 1.300 1.00 0.24 H new ATOM 0 HD11 LEU A 17 68.555 -0.738 2.305 1.00 0.33 H new ATOM 0 HD12 LEU A 17 68.849 0.976 2.687 1.00 0.33 H new ATOM 0 HD13 LEU A 17 68.152 -0.104 3.919 1.00 0.33 H new ATOM 0 HD21 LEU A 17 66.213 -1.579 2.052 1.00 0.28 H new ATOM 0 HD22 LEU A 17 65.812 -0.945 3.666 1.00 0.28 H new ATOM 0 HD23 LEU A 17 64.841 -0.464 2.254 1.00 0.28 H new ATOM 161 N LYS A 18 63.470 3.150 3.945 1.00 0.19 N ATOM 162 CA LYS A 18 62.869 4.140 4.893 1.00 0.21 C ATOM 163 C LYS A 18 62.653 3.486 6.273 1.00 0.21 C ATOM 164 O LYS A 18 62.064 2.422 6.337 1.00 0.19 O ATOM 165 CB LYS A 18 61.524 4.514 4.266 1.00 0.22 C ATOM 166 CG LYS A 18 60.915 5.693 5.029 1.00 0.26 C ATOM 167 CD LYS A 18 59.505 5.968 4.502 1.00 0.43 C ATOM 168 CE LYS A 18 59.596 6.642 3.131 1.00 0.95 C ATOM 169 NZ LYS A 18 58.223 7.157 2.865 1.00 1.15 N ATOM 0 H LYS A 18 63.024 2.233 3.947 1.00 0.19 H new ATOM 0 HA LYS A 18 63.508 5.010 5.046 1.00 0.21 H new ATOM 0 HB2 LYS A 18 61.660 4.777 3.217 1.00 0.22 H new ATOM 0 HB3 LYS A 18 60.847 3.660 4.295 1.00 0.22 H new ATOM 0 HG2 LYS A 18 60.879 5.470 6.095 1.00 0.26 H new ATOM 0 HG3 LYS A 18 61.539 6.579 4.909 1.00 0.26 H new ATOM 0 HD2 LYS A 18 58.946 5.036 4.424 1.00 0.43 H new ATOM 0 HD3 LYS A 18 58.963 6.608 5.199 1.00 0.43 H new ATOM 0 HE2 LYS A 18 60.327 7.450 3.136 1.00 0.95 H new ATOM 0 HE3 LYS A 18 59.908 5.934 2.363 1.00 0.95 H new ATOM 0 HZ1 LYS A 18 58.204 7.634 1.941 1.00 1.15 H new ATOM 0 HZ2 LYS A 18 57.550 6.364 2.860 1.00 1.15 H new ATOM 0 HZ3 LYS A 18 57.956 7.833 3.609 1.00 1.15 H new ATOM 183 N PRO A 19 63.130 4.119 7.341 1.00 0.23 N ATOM 184 CA PRO A 19 62.808 3.632 8.713 1.00 0.23 C ATOM 185 C PRO A 19 61.323 3.857 9.018 1.00 0.20 C ATOM 186 O PRO A 19 60.761 4.877 8.656 1.00 0.22 O ATOM 187 CB PRO A 19 63.699 4.476 9.640 1.00 0.29 C ATOM 188 CG PRO A 19 64.654 5.199 8.745 1.00 0.40 C ATOM 189 CD PRO A 19 64.000 5.307 7.398 1.00 0.30 C ATOM 0 HA PRO A 19 62.989 2.564 8.837 1.00 0.23 H new ATOM 0 HB2 PRO A 19 63.102 5.178 10.222 1.00 0.29 H new ATOM 0 HB3 PRO A 19 64.232 3.844 10.351 1.00 0.29 H new ATOM 0 HG2 PRO A 19 64.882 6.188 9.143 1.00 0.40 H new ATOM 0 HG3 PRO A 19 65.598 4.659 8.673 1.00 0.40 H new ATOM 0 HD2 PRO A 19 63.427 6.229 7.303 1.00 0.30 H new ATOM 0 HD3 PRO A 19 64.735 5.305 6.594 1.00 0.30 H new ATOM 197 N LEU A 20 60.693 2.911 9.677 1.00 0.19 N ATOM 198 CA LEU A 20 59.260 3.084 10.090 1.00 0.21 C ATOM 199 C LEU A 20 59.087 3.963 11.367 1.00 0.23 C ATOM 200 O LEU A 20 58.258 4.855 11.311 1.00 0.26 O ATOM 201 CB LEU A 20 58.673 1.670 10.251 1.00 0.25 C ATOM 202 CG LEU A 20 58.507 1.026 8.872 1.00 0.22 C ATOM 203 CD1 LEU A 20 58.213 -0.466 9.039 1.00 0.33 C ATOM 204 CD2 LEU A 20 57.345 1.694 8.133 1.00 0.25 C ATOM 0 H LEU A 20 61.112 2.021 9.948 1.00 0.19 H new ATOM 0 HA LEU A 20 58.715 3.638 9.326 1.00 0.21 H new ATOM 0 HB2 LEU A 20 59.330 1.061 10.872 1.00 0.25 H new ATOM 0 HB3 LEU A 20 57.710 1.720 10.759 1.00 0.25 H new ATOM 0 HG LEU A 20 59.425 1.155 8.298 1.00 0.22 H new ATOM 0 HD11 LEU A 20 58.095 -0.926 8.058 1.00 0.33 H new ATOM 0 HD12 LEU A 20 59.040 -0.943 9.566 1.00 0.33 H new ATOM 0 HD13 LEU A 20 57.295 -0.594 9.613 1.00 0.33 H new ATOM 0 HD21 LEU A 20 57.227 1.236 7.151 1.00 0.25 H new ATOM 0 HD22 LEU A 20 56.427 1.565 8.707 1.00 0.25 H new ATOM 0 HD23 LEU A 20 57.553 2.757 8.014 1.00 0.25 H new ATOM 216 N PRO A 21 59.817 3.747 12.481 1.00 0.24 N ATOM 217 CA PRO A 21 59.810 4.776 13.567 1.00 0.28 C ATOM 218 C PRO A 21 60.528 6.047 13.095 1.00 0.29 C ATOM 219 O PRO A 21 61.302 6.009 12.154 1.00 0.30 O ATOM 220 CB PRO A 21 60.565 4.121 14.725 1.00 0.30 C ATOM 221 CG PRO A 21 61.413 3.077 14.085 1.00 0.28 C ATOM 222 CD PRO A 21 60.666 2.595 12.877 1.00 0.24 C ATOM 0 HA PRO A 21 58.802 5.076 13.855 1.00 0.28 H new ATOM 0 HB2 PRO A 21 61.172 4.849 15.263 1.00 0.30 H new ATOM 0 HB3 PRO A 21 59.877 3.683 15.448 1.00 0.30 H new ATOM 0 HG2 PRO A 21 62.383 3.486 13.802 1.00 0.28 H new ATOM 0 HG3 PRO A 21 61.603 2.256 14.776 1.00 0.28 H new ATOM 0 HD2 PRO A 21 61.348 2.311 12.076 1.00 0.24 H new ATOM 0 HD3 PRO A 21 60.062 1.718 13.108 1.00 0.24 H new ATOM 230 N LYS A 22 60.273 7.160 13.745 1.00 0.34 N ATOM 231 CA LYS A 22 60.917 8.452 13.337 1.00 0.39 C ATOM 232 C LYS A 22 62.315 8.563 13.954 1.00 0.40 C ATOM 233 O LYS A 22 62.472 9.031 15.071 1.00 0.47 O ATOM 234 CB LYS A 22 59.999 9.559 13.869 1.00 0.52 C ATOM 235 CG LYS A 22 58.660 9.514 13.129 1.00 1.27 C ATOM 236 CD LYS A 22 57.787 10.686 13.582 1.00 1.44 C ATOM 237 CE LYS A 22 56.405 10.573 12.936 1.00 2.31 C ATOM 238 NZ LYS A 22 55.593 11.643 13.580 1.00 2.68 N ATOM 0 H LYS A 22 59.643 7.229 14.544 1.00 0.34 H new ATOM 0 HA LYS A 22 61.039 8.523 12.256 1.00 0.39 H new ATOM 0 HB2 LYS A 22 59.839 9.430 14.939 1.00 0.52 H new ATOM 0 HB3 LYS A 22 60.469 10.533 13.732 1.00 0.52 H new ATOM 0 HG2 LYS A 22 58.825 9.565 12.053 1.00 1.27 H new ATOM 0 HG3 LYS A 22 58.153 8.570 13.330 1.00 1.27 H new ATOM 0 HD2 LYS A 22 57.694 10.685 14.668 1.00 1.44 H new ATOM 0 HD3 LYS A 22 58.254 11.630 13.303 1.00 1.44 H new ATOM 0 HE2 LYS A 22 56.461 10.715 11.857 1.00 2.31 H new ATOM 0 HE3 LYS A 22 55.968 9.589 13.106 1.00 2.31 H new ATOM 0 HZ1 LYS A 22 54.629 11.630 13.189 1.00 2.68 H new ATOM 0 HZ2 LYS A 22 55.553 11.478 14.606 1.00 2.68 H new ATOM 0 HZ3 LYS A 22 56.029 12.569 13.395 1.00 2.68 H new ATOM 252 N VAL A 23 63.325 8.132 13.231 1.00 0.37 N ATOM 253 CA VAL A 23 64.731 8.219 13.739 1.00 0.42 C ATOM 254 C VAL A 23 65.702 8.465 12.573 1.00 0.43 C ATOM 255 O VAL A 23 65.531 7.922 11.496 1.00 0.44 O ATOM 256 CB VAL A 23 64.988 6.867 14.440 1.00 0.47 C ATOM 257 CG1 VAL A 23 64.882 5.698 13.450 1.00 0.48 C ATOM 258 CG2 VAL A 23 66.383 6.868 15.076 1.00 0.56 C ATOM 0 H VAL A 23 63.232 7.720 12.302 1.00 0.37 H new ATOM 0 HA VAL A 23 64.882 9.049 14.430 1.00 0.42 H new ATOM 0 HB VAL A 23 64.228 6.738 15.211 1.00 0.47 H new ATOM 0 HG11 VAL A 23 65.068 4.760 13.973 1.00 0.48 H new ATOM 0 HG12 VAL A 23 63.883 5.679 13.015 1.00 0.48 H new ATOM 0 HG13 VAL A 23 65.620 5.824 12.658 1.00 0.48 H new ATOM 0 HG21 VAL A 23 66.559 5.912 15.569 1.00 0.56 H new ATOM 0 HG22 VAL A 23 67.135 7.021 14.302 1.00 0.56 H new ATOM 0 HG23 VAL A 23 66.448 7.672 15.809 1.00 0.56 H new ATOM 268 N GLU A 24 66.712 9.278 12.794 1.00 0.50 N ATOM 269 CA GLU A 24 67.745 9.529 11.741 1.00 0.56 C ATOM 270 C GLU A 24 69.119 9.060 12.230 1.00 0.48 C ATOM 271 O GLU A 24 69.626 9.551 13.224 1.00 0.47 O ATOM 272 CB GLU A 24 67.740 11.045 11.534 1.00 0.67 C ATOM 273 CG GLU A 24 66.417 11.469 10.890 1.00 1.33 C ATOM 274 CD GLU A 24 66.438 12.975 10.619 1.00 1.58 C ATOM 275 OE1 GLU A 24 67.444 13.455 10.122 1.00 2.04 O ATOM 276 OE2 GLU A 24 65.446 13.623 10.909 1.00 1.99 O ATOM 0 H GLU A 24 66.863 9.781 13.668 1.00 0.50 H new ATOM 0 HA GLU A 24 67.533 8.991 10.817 1.00 0.56 H new ATOM 0 HB2 GLU A 24 67.871 11.553 12.489 1.00 0.67 H new ATOM 0 HB3 GLU A 24 68.576 11.339 10.899 1.00 0.67 H new ATOM 0 HG2 GLU A 24 66.263 10.924 9.959 1.00 1.33 H new ATOM 0 HG3 GLU A 24 65.584 11.219 11.547 1.00 1.33 H new ATOM 283 N LEU A 25 69.715 8.116 11.534 1.00 0.48 N ATOM 284 CA LEU A 25 71.031 7.553 11.976 1.00 0.44 C ATOM 285 C LEU A 25 72.191 8.305 11.297 1.00 0.42 C ATOM 286 O LEU A 25 72.054 8.702 10.154 1.00 0.43 O ATOM 287 CB LEU A 25 71.010 6.088 11.529 1.00 0.49 C ATOM 288 CG LEU A 25 69.960 5.320 12.336 1.00 0.56 C ATOM 289 CD1 LEU A 25 69.721 3.954 11.691 1.00 0.66 C ATOM 290 CD2 LEU A 25 70.458 5.128 13.771 1.00 0.57 C ATOM 0 H LEU A 25 69.343 7.711 10.675 1.00 0.48 H new ATOM 0 HA LEU A 25 71.177 7.650 13.052 1.00 0.44 H new ATOM 0 HB2 LEU A 25 70.783 6.025 10.465 1.00 0.49 H new ATOM 0 HB3 LEU A 25 71.993 5.639 11.672 1.00 0.49 H new ATOM 0 HG LEU A 25 69.027 5.884 12.349 1.00 0.56 H new ATOM 0 HD11 LEU A 25 68.973 3.406 12.265 1.00 0.66 H new ATOM 0 HD12 LEU A 25 69.366 4.091 10.670 1.00 0.66 H new ATOM 0 HD13 LEU A 25 70.653 3.390 11.678 1.00 0.66 H new ATOM 0 HD21 LEU A 25 69.710 4.581 14.346 1.00 0.57 H new ATOM 0 HD22 LEU A 25 71.391 4.564 13.760 1.00 0.57 H new ATOM 0 HD23 LEU A 25 70.628 6.102 14.231 1.00 0.57 H new ATOM 302 N PRO A 26 73.305 8.486 12.003 1.00 0.43 N ATOM 303 CA PRO A 26 74.505 9.138 11.390 1.00 0.43 C ATOM 304 C PRO A 26 75.002 8.365 10.147 1.00 0.37 C ATOM 305 O PRO A 26 74.617 7.228 9.951 1.00 0.34 O ATOM 306 CB PRO A 26 75.553 9.097 12.506 1.00 0.48 C ATOM 307 CG PRO A 26 74.763 8.965 13.763 1.00 0.52 C ATOM 308 CD PRO A 26 73.564 8.133 13.415 1.00 0.47 C ATOM 0 HA PRO A 26 74.291 10.148 11.039 1.00 0.43 H new ATOM 0 HB2 PRO A 26 76.236 8.257 12.377 1.00 0.48 H new ATOM 0 HB3 PRO A 26 76.160 10.003 12.513 1.00 0.48 H new ATOM 0 HG2 PRO A 26 75.353 8.489 14.546 1.00 0.52 H new ATOM 0 HG3 PRO A 26 74.463 9.943 14.139 1.00 0.52 H new ATOM 0 HD2 PRO A 26 73.765 7.068 13.533 1.00 0.47 H new ATOM 0 HD3 PRO A 26 72.712 8.369 14.052 1.00 0.47 H new ATOM 316 N PRO A 27 75.844 9.002 9.343 1.00 0.38 N ATOM 317 CA PRO A 27 76.277 8.402 8.042 1.00 0.36 C ATOM 318 C PRO A 27 77.136 7.137 8.225 1.00 0.35 C ATOM 319 O PRO A 27 77.418 6.458 7.253 1.00 0.36 O ATOM 320 CB PRO A 27 77.101 9.518 7.381 1.00 0.43 C ATOM 321 CG PRO A 27 76.731 10.760 8.123 1.00 0.46 C ATOM 322 CD PRO A 27 76.469 10.325 9.532 1.00 0.43 C ATOM 0 HA PRO A 27 75.422 8.077 7.449 1.00 0.36 H new ATOM 0 HB2 PRO A 27 78.170 9.317 7.455 1.00 0.43 H new ATOM 0 HB3 PRO A 27 76.866 9.607 6.320 1.00 0.43 H new ATOM 0 HG2 PRO A 27 77.535 11.495 8.083 1.00 0.46 H new ATOM 0 HG3 PRO A 27 75.849 11.229 7.687 1.00 0.46 H new ATOM 0 HD2 PRO A 27 77.388 10.261 10.115 1.00 0.43 H new ATOM 0 HD3 PRO A 27 75.808 11.016 10.054 1.00 0.43 H new ATOM 330 N ASP A 28 77.561 6.818 9.432 1.00 0.36 N ATOM 331 CA ASP A 28 78.376 5.573 9.644 1.00 0.38 C ATOM 332 C ASP A 28 77.476 4.325 9.629 1.00 0.35 C ATOM 333 O ASP A 28 77.917 3.245 9.266 1.00 0.36 O ATOM 334 CB ASP A 28 79.089 5.742 10.999 1.00 0.44 C ATOM 335 CG ASP A 28 78.077 5.914 12.140 1.00 0.44 C ATOM 336 OD1 ASP A 28 77.321 4.987 12.379 1.00 1.21 O ATOM 337 OD2 ASP A 28 78.080 6.968 12.754 1.00 1.10 O ATOM 0 H ASP A 28 77.379 7.364 10.274 1.00 0.36 H new ATOM 0 HA ASP A 28 79.104 5.434 8.845 1.00 0.38 H new ATOM 0 HB2 ASP A 28 79.717 4.872 11.194 1.00 0.44 H new ATOM 0 HB3 ASP A 28 79.749 6.609 10.960 1.00 0.44 H new ATOM 342 N PHE A 29 76.223 4.466 10.013 1.00 0.33 N ATOM 343 CA PHE A 29 75.286 3.286 10.042 1.00 0.32 C ATOM 344 C PHE A 29 75.152 2.650 8.652 1.00 0.28 C ATOM 345 O PHE A 29 75.209 1.443 8.517 1.00 0.28 O ATOM 346 CB PHE A 29 73.932 3.829 10.516 1.00 0.33 C ATOM 347 CG PHE A 29 73.761 3.770 12.014 1.00 0.40 C ATOM 348 CD1 PHE A 29 74.439 4.708 12.851 1.00 0.46 C ATOM 349 CD2 PHE A 29 72.921 2.770 12.595 1.00 0.41 C ATOM 350 CE1 PHE A 29 74.278 4.647 14.271 1.00 0.53 C ATOM 351 CE2 PHE A 29 72.759 2.709 14.014 1.00 0.48 C ATOM 352 CZ PHE A 29 73.438 3.648 14.852 1.00 0.53 C ATOM 0 H PHE A 29 75.807 5.349 10.308 1.00 0.33 H new ATOM 0 HA PHE A 29 75.661 2.507 10.706 1.00 0.32 H new ATOM 0 HB2 PHE A 29 73.826 4.862 10.185 1.00 0.33 H new ATOM 0 HB3 PHE A 29 73.133 3.259 10.043 1.00 0.33 H new ATOM 0 HD1 PHE A 29 75.073 5.464 12.412 1.00 0.46 H new ATOM 0 HD2 PHE A 29 72.409 2.061 11.962 1.00 0.41 H new ATOM 0 HE1 PHE A 29 74.791 5.356 14.904 1.00 0.53 H new ATOM 0 HE2 PHE A 29 72.124 1.954 14.453 1.00 0.48 H new ATOM 0 HZ PHE A 29 73.316 3.602 15.924 1.00 0.53 H new ATOM 362 N VAL A 30 74.987 3.455 7.623 1.00 0.27 N ATOM 363 CA VAL A 30 74.660 2.906 6.258 1.00 0.26 C ATOM 364 C VAL A 30 75.759 1.932 5.784 1.00 0.25 C ATOM 365 O VAL A 30 75.481 0.968 5.091 1.00 0.26 O ATOM 366 CB VAL A 30 74.529 4.134 5.330 1.00 0.28 C ATOM 367 CG1 VAL A 30 75.867 4.876 5.202 1.00 0.72 C ATOM 368 CG2 VAL A 30 74.055 3.683 3.944 1.00 0.79 C ATOM 0 H VAL A 30 75.065 4.471 7.668 1.00 0.27 H new ATOM 0 HA VAL A 30 73.736 2.328 6.260 1.00 0.26 H new ATOM 0 HB VAL A 30 73.800 4.817 5.766 1.00 0.28 H new ATOM 0 HG11 VAL A 30 75.745 5.736 4.543 1.00 0.72 H new ATOM 0 HG12 VAL A 30 76.190 5.216 6.186 1.00 0.72 H new ATOM 0 HG13 VAL A 30 76.617 4.204 4.786 1.00 0.72 H new ATOM 0 HG21 VAL A 30 73.963 4.551 3.291 1.00 0.79 H new ATOM 0 HG22 VAL A 30 74.778 2.985 3.521 1.00 0.79 H new ATOM 0 HG23 VAL A 30 73.086 3.192 4.033 1.00 0.79 H new ATOM 378 N ASP A 31 76.992 2.187 6.165 1.00 0.27 N ATOM 379 CA ASP A 31 78.117 1.266 5.793 1.00 0.30 C ATOM 380 C ASP A 31 77.989 -0.054 6.559 1.00 0.30 C ATOM 381 O ASP A 31 78.180 -1.120 6.001 1.00 0.30 O ATOM 382 CB ASP A 31 79.408 1.990 6.192 1.00 0.34 C ATOM 383 CG ASP A 31 79.582 3.243 5.330 1.00 0.81 C ATOM 384 OD1 ASP A 31 79.378 3.146 4.129 1.00 1.72 O ATOM 385 OD2 ASP A 31 79.916 4.276 5.884 1.00 1.28 O ATOM 0 H ASP A 31 77.268 2.997 6.720 1.00 0.27 H new ATOM 0 HA ASP A 31 78.108 1.030 4.729 1.00 0.30 H new ATOM 0 HB2 ASP A 31 79.372 2.264 7.246 1.00 0.34 H new ATOM 0 HB3 ASP A 31 80.263 1.327 6.064 1.00 0.34 H new ATOM 390 N VAL A 32 77.658 0.016 7.832 1.00 0.31 N ATOM 391 CA VAL A 32 77.571 -1.231 8.671 1.00 0.34 C ATOM 392 C VAL A 32 76.373 -2.075 8.207 1.00 0.32 C ATOM 393 O VAL A 32 76.457 -3.289 8.141 1.00 0.34 O ATOM 394 CB VAL A 32 77.396 -0.762 10.132 1.00 0.37 C ATOM 395 CG1 VAL A 32 77.332 -1.972 11.073 1.00 0.43 C ATOM 396 CG2 VAL A 32 78.582 0.116 10.548 1.00 0.40 C ATOM 0 H VAL A 32 77.444 0.882 8.326 1.00 0.31 H new ATOM 0 HA VAL A 32 78.461 -1.853 8.578 1.00 0.34 H new ATOM 0 HB VAL A 32 76.469 -0.192 10.199 1.00 0.37 H new ATOM 0 HG11 VAL A 32 77.209 -1.628 12.100 1.00 0.43 H new ATOM 0 HG12 VAL A 32 76.487 -2.603 10.797 1.00 0.43 H new ATOM 0 HG13 VAL A 32 78.255 -2.546 10.991 1.00 0.43 H new ATOM 0 HG21 VAL A 32 78.449 0.442 11.580 1.00 0.40 H new ATOM 0 HG22 VAL A 32 79.506 -0.457 10.464 1.00 0.40 H new ATOM 0 HG23 VAL A 32 78.635 0.988 9.896 1.00 0.40 H new ATOM 406 N ILE A 33 75.269 -1.436 7.884 1.00 0.29 N ATOM 407 CA ILE A 33 74.065 -2.179 7.367 1.00 0.29 C ATOM 408 C ILE A 33 74.404 -2.862 6.028 1.00 0.28 C ATOM 409 O ILE A 33 74.047 -4.004 5.806 1.00 0.30 O ATOM 410 CB ILE A 33 72.956 -1.113 7.197 1.00 0.29 C ATOM 411 CG1 ILE A 33 72.615 -0.465 8.560 1.00 0.32 C ATOM 412 CG2 ILE A 33 71.683 -1.731 6.592 1.00 0.32 C ATOM 413 CD1 ILE A 33 72.114 -1.508 9.575 1.00 0.37 C ATOM 0 H ILE A 33 75.148 -0.426 7.956 1.00 0.29 H new ATOM 0 HA ILE A 33 73.742 -2.968 8.046 1.00 0.29 H new ATOM 0 HB ILE A 33 73.333 -0.349 6.517 1.00 0.29 H new ATOM 0 HG12 ILE A 33 73.499 0.034 8.957 1.00 0.32 H new ATOM 0 HG13 ILE A 33 71.853 0.301 8.419 1.00 0.32 H new ATOM 0 HG21 ILE A 33 70.920 -0.960 6.484 1.00 0.32 H new ATOM 0 HG22 ILE A 33 71.913 -2.154 5.614 1.00 0.32 H new ATOM 0 HG23 ILE A 33 71.313 -2.518 7.249 1.00 0.32 H new ATOM 0 HD11 ILE A 33 71.885 -1.015 10.520 1.00 0.37 H new ATOM 0 HD12 ILE A 33 71.215 -1.989 9.189 1.00 0.37 H new ATOM 0 HD13 ILE A 33 72.887 -2.260 9.736 1.00 0.37 H new ATOM 425 N ARG A 34 75.090 -2.165 5.147 1.00 0.26 N ATOM 426 CA ARG A 34 75.481 -2.760 3.817 1.00 0.26 C ATOM 427 C ARG A 34 76.336 -4.023 4.003 1.00 0.27 C ATOM 428 O ARG A 34 76.151 -5.005 3.309 1.00 0.28 O ATOM 429 CB ARG A 34 76.291 -1.676 3.096 1.00 0.27 C ATOM 430 CG ARG A 34 76.501 -2.078 1.634 1.00 0.29 C ATOM 431 CD ARG A 34 77.254 -0.962 0.899 1.00 0.34 C ATOM 432 NE ARG A 34 78.638 -0.953 1.483 1.00 0.37 N ATOM 433 CZ ARG A 34 79.420 0.112 1.429 1.00 0.52 C ATOM 434 NH1 ARG A 34 79.055 1.234 0.847 1.00 0.74 N ATOM 435 NH2 ARG A 34 80.607 0.046 1.969 1.00 0.57 N ATOM 0 H ARG A 34 75.399 -1.204 5.291 1.00 0.26 H new ATOM 0 HA ARG A 34 74.600 -3.058 3.249 1.00 0.26 H new ATOM 0 HB2 ARG A 34 75.768 -0.721 3.149 1.00 0.27 H new ATOM 0 HB3 ARG A 34 77.254 -1.540 3.588 1.00 0.27 H new ATOM 0 HG2 ARG A 34 77.065 -3.009 1.579 1.00 0.29 H new ATOM 0 HG3 ARG A 34 75.539 -2.259 1.154 1.00 0.29 H new ATOM 0 HD2 ARG A 34 77.283 -1.150 -0.174 1.00 0.34 H new ATOM 0 HD3 ARG A 34 76.763 0.001 1.041 1.00 0.34 H new ATOM 0 HE ARG A 34 78.987 -1.797 1.937 1.00 0.37 H new ATOM 0 HH11 ARG A 34 78.135 1.308 0.413 1.00 0.74 H new ATOM 0 HH12 ARG A 34 79.692 2.030 0.830 1.00 0.74 H new ATOM 0 HH21 ARG A 34 80.915 -0.815 2.421 1.00 0.57 H new ATOM 0 HH22 ARG A 34 81.227 0.856 1.939 1.00 0.57 H new ATOM 449 N ILE A 35 77.262 -3.996 4.939 1.00 0.29 N ATOM 450 CA ILE A 35 78.157 -5.186 5.176 1.00 0.33 C ATOM 451 C ILE A 35 77.325 -6.373 5.698 1.00 0.36 C ATOM 452 O ILE A 35 77.520 -7.500 5.276 1.00 0.39 O ATOM 453 CB ILE A 35 79.202 -4.730 6.219 1.00 0.36 C ATOM 454 CG1 ILE A 35 80.032 -3.575 5.645 1.00 0.35 C ATOM 455 CG2 ILE A 35 80.150 -5.881 6.575 1.00 0.42 C ATOM 456 CD1 ILE A 35 80.764 -2.859 6.783 1.00 0.39 C ATOM 0 H ILE A 35 77.438 -3.200 5.552 1.00 0.29 H new ATOM 0 HA ILE A 35 78.645 -5.521 4.261 1.00 0.33 H new ATOM 0 HB ILE A 35 78.672 -4.409 7.115 1.00 0.36 H new ATOM 0 HG12 ILE A 35 80.750 -3.955 4.918 1.00 0.35 H new ATOM 0 HG13 ILE A 35 79.385 -2.875 5.117 1.00 0.35 H new ATOM 0 HG21 ILE A 35 80.878 -5.539 7.311 1.00 0.42 H new ATOM 0 HG22 ILE A 35 79.576 -6.710 6.990 1.00 0.42 H new ATOM 0 HG23 ILE A 35 80.671 -6.214 5.677 1.00 0.42 H new ATOM 0 HD11 ILE A 35 81.354 -2.038 6.376 1.00 0.39 H new ATOM 0 HD12 ILE A 35 80.036 -2.466 7.493 1.00 0.39 H new ATOM 0 HD13 ILE A 35 81.423 -3.563 7.291 1.00 0.39 H new ATOM 468 N LYS A 36 76.414 -6.118 6.610 1.00 0.35 N ATOM 469 CA LYS A 36 75.556 -7.221 7.168 1.00 0.39 C ATOM 470 C LYS A 36 74.644 -7.812 6.085 1.00 0.37 C ATOM 471 O LYS A 36 74.483 -9.017 5.998 1.00 0.38 O ATOM 472 CB LYS A 36 74.712 -6.577 8.274 1.00 0.41 C ATOM 473 CG LYS A 36 75.622 -6.144 9.425 1.00 0.77 C ATOM 474 CD LYS A 36 74.771 -5.580 10.564 1.00 1.35 C ATOM 475 CE LYS A 36 75.685 -5.026 11.659 1.00 1.79 C ATOM 476 NZ LYS A 36 76.079 -6.214 12.466 1.00 2.25 N ATOM 0 H LYS A 36 76.226 -5.192 6.994 1.00 0.35 H new ATOM 0 HA LYS A 36 76.168 -8.039 7.547 1.00 0.39 H new ATOM 0 HB2 LYS A 36 74.173 -5.716 7.879 1.00 0.41 H new ATOM 0 HB3 LYS A 36 73.964 -7.284 8.634 1.00 0.41 H new ATOM 0 HG2 LYS A 36 76.207 -6.993 9.780 1.00 0.77 H new ATOM 0 HG3 LYS A 36 76.331 -5.391 9.079 1.00 0.77 H new ATOM 0 HD2 LYS A 36 74.118 -4.793 10.188 1.00 1.35 H new ATOM 0 HD3 LYS A 36 74.128 -6.360 10.972 1.00 1.35 H new ATOM 0 HE2 LYS A 36 76.557 -4.531 11.232 1.00 1.79 H new ATOM 0 HE3 LYS A 36 75.167 -4.287 12.270 1.00 1.79 H new ATOM 0 HZ1 LYS A 36 75.610 -6.175 13.393 1.00 2.25 H new ATOM 0 HZ2 LYS A 36 75.792 -7.082 11.969 1.00 2.25 H new ATOM 0 HZ3 LYS A 36 77.110 -6.216 12.600 1.00 2.25 H new ATOM 490 N LEU A 37 74.056 -6.972 5.264 1.00 0.35 N ATOM 491 CA LEU A 37 72.947 -7.429 4.362 1.00 0.34 C ATOM 492 C LEU A 37 73.485 -7.933 3.017 1.00 0.30 C ATOM 493 O LEU A 37 72.893 -8.804 2.406 1.00 0.28 O ATOM 494 CB LEU A 37 72.063 -6.197 4.150 1.00 0.36 C ATOM 495 CG LEU A 37 71.344 -5.848 5.456 1.00 0.39 C ATOM 496 CD1 LEU A 37 70.696 -4.469 5.328 1.00 0.40 C ATOM 497 CD2 LEU A 37 70.260 -6.892 5.739 1.00 0.51 C ATOM 0 H LEU A 37 74.298 -5.985 5.179 1.00 0.35 H new ATOM 0 HA LEU A 37 72.400 -8.262 4.804 1.00 0.34 H new ATOM 0 HB2 LEU A 37 72.670 -5.354 3.821 1.00 0.36 H new ATOM 0 HB3 LEU A 37 71.334 -6.391 3.363 1.00 0.36 H new ATOM 0 HG LEU A 37 72.064 -5.840 6.274 1.00 0.39 H new ATOM 0 HD11 LEU A 37 70.184 -4.220 6.257 1.00 0.40 H new ATOM 0 HD12 LEU A 37 71.465 -3.723 5.126 1.00 0.40 H new ATOM 0 HD13 LEU A 37 69.977 -4.480 4.509 1.00 0.40 H new ATOM 0 HD21 LEU A 37 69.749 -6.643 6.669 1.00 0.51 H new ATOM 0 HD22 LEU A 37 69.540 -6.901 4.920 1.00 0.51 H new ATOM 0 HD23 LEU A 37 70.718 -7.877 5.830 1.00 0.51 H new ATOM 509 N GLN A 38 74.596 -7.393 2.552 1.00 0.31 N ATOM 510 CA GLN A 38 75.118 -7.726 1.169 1.00 0.29 C ATOM 511 C GLN A 38 75.214 -9.244 0.931 1.00 0.27 C ATOM 512 O GLN A 38 75.476 -10.008 1.844 1.00 0.29 O ATOM 513 CB GLN A 38 76.512 -7.077 1.062 1.00 0.33 C ATOM 514 CG GLN A 38 77.443 -7.582 2.175 1.00 0.36 C ATOM 515 CD GLN A 38 78.901 -7.450 1.727 1.00 0.41 C ATOM 516 OE1 GLN A 38 79.489 -8.399 1.247 1.00 0.64 O ATOM 517 NE2 GLN A 38 79.512 -6.304 1.863 1.00 0.45 N ATOM 0 H GLN A 38 75.170 -6.730 3.073 1.00 0.31 H new ATOM 0 HA GLN A 38 74.433 -7.346 0.411 1.00 0.29 H new ATOM 0 HB2 GLN A 38 76.948 -7.302 0.089 1.00 0.33 H new ATOM 0 HB3 GLN A 38 76.418 -5.993 1.126 1.00 0.33 H new ATOM 0 HG2 GLN A 38 77.279 -7.009 3.087 1.00 0.36 H new ATOM 0 HG3 GLN A 38 77.217 -8.623 2.408 1.00 0.36 H new ATOM 0 HE21 GLN A 38 79.018 -5.508 2.266 1.00 0.45 H new ATOM 0 HE22 GLN A 38 80.483 -6.205 1.566 1.00 0.45 H new ATOM 526 N GLY A 39 75.004 -9.667 -0.296 1.00 0.25 N ATOM 527 CA GLY A 39 74.927 -11.128 -0.612 1.00 0.25 C ATOM 528 C GLY A 39 73.465 -11.597 -0.646 1.00 0.22 C ATOM 529 O GLY A 39 73.145 -12.556 -1.326 1.00 0.22 O ATOM 0 H GLY A 39 74.881 -9.052 -1.100 1.00 0.25 H new ATOM 0 HA2 GLY A 39 75.400 -11.323 -1.575 1.00 0.25 H new ATOM 0 HA3 GLY A 39 75.480 -11.697 0.135 1.00 0.25 H new ATOM 533 N LYS A 40 72.585 -10.935 0.076 1.00 0.21 N ATOM 534 CA LYS A 40 71.127 -11.274 0.011 1.00 0.20 C ATOM 535 C LYS A 40 70.445 -10.459 -1.093 1.00 0.17 C ATOM 536 O LYS A 40 70.912 -9.393 -1.457 1.00 0.17 O ATOM 537 CB LYS A 40 70.556 -10.899 1.381 1.00 0.22 C ATOM 538 CG LYS A 40 71.141 -11.826 2.450 1.00 0.25 C ATOM 539 CD LYS A 40 70.491 -11.521 3.801 1.00 0.77 C ATOM 540 CE LYS A 40 71.162 -12.358 4.892 1.00 0.98 C ATOM 541 NZ LYS A 40 70.308 -12.139 6.138 1.00 1.91 N ATOM 0 H LYS A 40 72.819 -10.171 0.710 1.00 0.21 H new ATOM 0 HA LYS A 40 70.964 -12.327 -0.218 1.00 0.20 H new ATOM 0 HB2 LYS A 40 70.795 -9.861 1.614 1.00 0.22 H new ATOM 0 HB3 LYS A 40 69.469 -10.981 1.369 1.00 0.22 H new ATOM 0 HG2 LYS A 40 70.968 -12.867 2.178 1.00 0.25 H new ATOM 0 HG3 LYS A 40 72.220 -11.689 2.514 1.00 0.25 H new ATOM 0 HD2 LYS A 40 70.587 -10.460 4.031 1.00 0.77 H new ATOM 0 HD3 LYS A 40 69.425 -11.743 3.762 1.00 0.77 H new ATOM 0 HE2 LYS A 40 71.195 -13.412 4.616 1.00 0.98 H new ATOM 0 HE3 LYS A 40 72.191 -12.039 5.058 1.00 0.98 H new ATOM 0 HZ1 LYS A 40 70.705 -12.682 6.931 1.00 1.91 H new ATOM 0 HZ2 LYS A 40 70.300 -11.128 6.380 1.00 1.91 H new ATOM 0 HZ3 LYS A 40 69.336 -12.458 5.953 1.00 1.91 H new ATOM 555 N THR A 41 69.350 -10.961 -1.620 1.00 0.17 N ATOM 556 CA THR A 41 68.606 -10.231 -2.692 1.00 0.16 C ATOM 557 C THR A 41 67.408 -9.489 -2.094 1.00 0.15 C ATOM 558 O THR A 41 66.813 -9.938 -1.131 1.00 0.17 O ATOM 559 CB THR A 41 68.137 -11.319 -3.659 1.00 0.17 C ATOM 560 OG1 THR A 41 69.236 -12.152 -4.001 1.00 0.19 O ATOM 561 CG2 THR A 41 67.572 -10.671 -4.925 1.00 0.17 C ATOM 0 H THR A 41 68.939 -11.854 -1.348 1.00 0.17 H new ATOM 0 HA THR A 41 69.225 -9.484 -3.189 1.00 0.16 H new ATOM 0 HB THR A 41 67.361 -11.918 -3.183 1.00 0.17 H new ATOM 0 HG1 THR A 41 68.937 -12.851 -4.619 1.00 0.19 H new ATOM 0 HG21 THR A 41 67.238 -11.447 -5.613 1.00 0.17 H new ATOM 0 HG22 THR A 41 66.729 -10.032 -4.662 1.00 0.17 H new ATOM 0 HG23 THR A 41 68.346 -10.071 -5.403 1.00 0.17 H new ATOM 569 N VAL A 42 67.059 -8.359 -2.667 1.00 0.14 N ATOM 570 CA VAL A 42 65.966 -7.506 -2.096 1.00 0.15 C ATOM 571 C VAL A 42 64.955 -7.131 -3.186 1.00 0.15 C ATOM 572 O VAL A 42 65.319 -6.927 -4.333 1.00 0.17 O ATOM 573 CB VAL A 42 66.654 -6.248 -1.530 1.00 0.15 C ATOM 574 CG1 VAL A 42 67.577 -6.646 -0.376 1.00 0.16 C ATOM 575 CG2 VAL A 42 67.481 -5.535 -2.612 1.00 0.16 C ATOM 0 H VAL A 42 67.490 -7.988 -3.514 1.00 0.14 H new ATOM 0 HA VAL A 42 65.413 -8.033 -1.319 1.00 0.15 H new ATOM 0 HB VAL A 42 65.880 -5.566 -1.177 1.00 0.15 H new ATOM 0 HG11 VAL A 42 68.063 -5.756 0.024 1.00 0.16 H new ATOM 0 HG12 VAL A 42 66.992 -7.124 0.410 1.00 0.16 H new ATOM 0 HG13 VAL A 42 68.334 -7.341 -0.739 1.00 0.16 H new ATOM 0 HG21 VAL A 42 67.955 -4.651 -2.184 1.00 0.16 H new ATOM 0 HG22 VAL A 42 68.248 -6.212 -2.989 1.00 0.16 H new ATOM 0 HG23 VAL A 42 66.827 -5.236 -3.431 1.00 0.16 H new ATOM 585 N ARG A 43 63.693 -7.047 -2.824 1.00 0.14 N ATOM 586 CA ARG A 43 62.643 -6.561 -3.771 1.00 0.15 C ATOM 587 C ARG A 43 61.753 -5.525 -3.079 1.00 0.15 C ATOM 588 O ARG A 43 61.527 -5.595 -1.883 1.00 0.15 O ATOM 589 CB ARG A 43 61.828 -7.804 -4.130 1.00 0.18 C ATOM 590 CG ARG A 43 62.684 -8.758 -4.965 1.00 1.08 C ATOM 591 CD ARG A 43 61.846 -9.978 -5.363 1.00 1.06 C ATOM 592 NE ARG A 43 62.833 -11.027 -5.793 1.00 2.02 N ATOM 593 CZ ARG A 43 62.497 -12.028 -6.590 1.00 2.64 C ATOM 594 NH1 ARG A 43 61.275 -12.191 -7.050 1.00 3.42 N ATOM 595 NH2 ARG A 43 63.413 -12.894 -6.927 1.00 2.82 N ATOM 0 H ARG A 43 63.345 -7.299 -1.899 1.00 0.14 H new ATOM 0 HA ARG A 43 63.070 -6.083 -4.653 1.00 0.15 H new ATOM 0 HB2 ARG A 43 61.490 -8.304 -3.222 1.00 0.18 H new ATOM 0 HB3 ARG A 43 60.936 -7.518 -4.688 1.00 0.18 H new ATOM 0 HG2 ARG A 43 63.051 -8.249 -5.856 1.00 1.08 H new ATOM 0 HG3 ARG A 43 63.558 -9.074 -4.395 1.00 1.08 H new ATOM 0 HD2 ARG A 43 61.242 -10.328 -4.526 1.00 1.06 H new ATOM 0 HD3 ARG A 43 61.158 -9.733 -6.172 1.00 1.06 H new ATOM 0 HE ARG A 43 63.795 -10.965 -5.459 1.00 2.02 H new ATOM 0 HH11 ARG A 43 60.541 -11.530 -6.794 1.00 3.42 H new ATOM 0 HH12 ARG A 43 61.061 -12.978 -7.662 1.00 3.42 H new ATOM 0 HH21 ARG A 43 64.366 -12.791 -6.577 1.00 2.82 H new ATOM 0 HH22 ARG A 43 63.177 -13.674 -7.540 1.00 2.82 H new ATOM 609 N THR A 44 61.242 -4.568 -3.826 1.00 0.17 N ATOM 610 CA THR A 44 60.389 -3.477 -3.225 1.00 0.18 C ATOM 611 C THR A 44 59.197 -4.059 -2.446 1.00 0.16 C ATOM 612 O THR A 44 58.558 -4.997 -2.893 1.00 0.18 O ATOM 613 CB THR A 44 59.879 -2.650 -4.412 1.00 0.22 C ATOM 614 OG1 THR A 44 60.969 -2.329 -5.264 1.00 0.26 O ATOM 615 CG2 THR A 44 59.231 -1.359 -3.904 1.00 0.23 C ATOM 0 H THR A 44 61.379 -4.493 -4.834 1.00 0.17 H new ATOM 0 HA THR A 44 60.965 -2.880 -2.518 1.00 0.18 H new ATOM 0 HB THR A 44 59.139 -3.229 -4.965 1.00 0.22 H new ATOM 0 HG1 THR A 44 60.646 -1.802 -6.024 1.00 0.26 H new ATOM 0 HG21 THR A 44 58.870 -0.775 -4.751 1.00 0.23 H new ATOM 0 HG22 THR A 44 58.394 -1.605 -3.250 1.00 0.23 H new ATOM 0 HG23 THR A 44 59.966 -0.777 -3.349 1.00 0.23 H new ATOM 623 N GLY A 45 58.907 -3.505 -1.290 1.00 0.16 N ATOM 624 CA GLY A 45 57.718 -3.948 -0.497 1.00 0.17 C ATOM 625 C GLY A 45 58.124 -4.924 0.620 1.00 0.16 C ATOM 626 O GLY A 45 57.362 -5.134 1.549 1.00 0.19 O ATOM 0 H GLY A 45 59.451 -2.757 -0.860 1.00 0.16 H new ATOM 0 HA2 GLY A 45 57.224 -3.079 -0.062 1.00 0.17 H new ATOM 0 HA3 GLY A 45 56.996 -4.428 -1.158 1.00 0.17 H new ATOM 630 N ASP A 46 59.302 -5.520 0.548 1.00 0.15 N ATOM 631 CA ASP A 46 59.764 -6.440 1.649 1.00 0.15 C ATOM 632 C ASP A 46 59.937 -5.669 2.962 1.00 0.14 C ATOM 633 O ASP A 46 60.219 -4.485 2.957 1.00 0.14 O ATOM 634 CB ASP A 46 61.117 -7.002 1.195 1.00 0.15 C ATOM 635 CG ASP A 46 60.916 -7.966 0.023 1.00 0.17 C ATOM 636 OD1 ASP A 46 59.960 -8.725 0.052 1.00 0.19 O ATOM 637 OD2 ASP A 46 61.731 -7.935 -0.884 1.00 0.17 O ATOM 0 H ASP A 46 59.960 -5.408 -0.223 1.00 0.15 H new ATOM 0 HA ASP A 46 59.035 -7.231 1.828 1.00 0.15 H new ATOM 0 HB2 ASP A 46 61.777 -6.187 0.898 1.00 0.15 H new ATOM 0 HB3 ASP A 46 61.602 -7.519 2.023 1.00 0.15 H new ATOM 642 N VAL A 47 59.767 -6.343 4.078 1.00 0.16 N ATOM 643 CA VAL A 47 59.973 -5.693 5.413 1.00 0.15 C ATOM 644 C VAL A 47 60.810 -6.624 6.301 1.00 0.16 C ATOM 645 O VAL A 47 60.527 -7.805 6.406 1.00 0.19 O ATOM 646 CB VAL A 47 58.560 -5.483 5.998 1.00 0.16 C ATOM 647 CG1 VAL A 47 58.650 -4.800 7.368 1.00 0.18 C ATOM 648 CG2 VAL A 47 57.728 -4.593 5.065 1.00 0.18 C ATOM 0 H VAL A 47 59.492 -7.324 4.120 1.00 0.16 H new ATOM 0 HA VAL A 47 60.505 -4.744 5.343 1.00 0.15 H new ATOM 0 HB VAL A 47 58.086 -6.459 6.101 1.00 0.16 H new ATOM 0 HG11 VAL A 47 57.647 -4.657 7.770 1.00 0.18 H new ATOM 0 HG12 VAL A 47 59.228 -5.425 8.049 1.00 0.18 H new ATOM 0 HG13 VAL A 47 59.139 -3.832 7.260 1.00 0.18 H new ATOM 0 HG21 VAL A 47 56.733 -4.452 5.488 1.00 0.18 H new ATOM 0 HG22 VAL A 47 58.216 -3.625 4.955 1.00 0.18 H new ATOM 0 HG23 VAL A 47 57.643 -5.069 4.088 1.00 0.18 H new ATOM 658 N ILE A 48 61.832 -6.091 6.933 1.00 0.16 N ATOM 659 CA ILE A 48 62.702 -6.923 7.829 1.00 0.18 C ATOM 660 C ILE A 48 63.026 -6.156 9.117 1.00 0.17 C ATOM 661 O ILE A 48 63.096 -4.941 9.117 1.00 0.18 O ATOM 662 CB ILE A 48 63.983 -7.242 7.030 1.00 0.20 C ATOM 663 CG1 ILE A 48 64.706 -5.954 6.581 1.00 0.20 C ATOM 664 CG2 ILE A 48 63.617 -8.077 5.798 1.00 0.22 C ATOM 665 CD1 ILE A 48 65.677 -5.472 7.669 1.00 0.21 C ATOM 0 H ILE A 48 62.102 -5.110 6.866 1.00 0.16 H new ATOM 0 HA ILE A 48 62.201 -7.844 8.128 1.00 0.18 H new ATOM 0 HB ILE A 48 64.658 -7.800 7.679 1.00 0.20 H new ATOM 0 HG12 ILE A 48 65.251 -6.140 5.656 1.00 0.20 H new ATOM 0 HG13 ILE A 48 63.974 -5.175 6.368 1.00 0.20 H new ATOM 0 HG21 ILE A 48 64.520 -8.304 5.231 1.00 0.22 H new ATOM 0 HG22 ILE A 48 63.144 -9.006 6.116 1.00 0.22 H new ATOM 0 HG23 ILE A 48 62.926 -7.515 5.170 1.00 0.22 H new ATOM 0 HD11 ILE A 48 66.177 -4.563 7.334 1.00 0.21 H new ATOM 0 HD12 ILE A 48 65.123 -5.265 8.585 1.00 0.21 H new ATOM 0 HD13 ILE A 48 66.421 -6.245 7.861 1.00 0.21 H new ATOM 677 N GLY A 49 63.218 -6.867 10.207 1.00 0.21 N ATOM 678 CA GLY A 49 63.477 -6.207 11.524 1.00 0.22 C ATOM 679 C GLY A 49 64.946 -6.391 11.913 1.00 0.22 C ATOM 680 O GLY A 49 65.513 -7.454 11.727 1.00 0.28 O ATOM 0 H GLY A 49 63.205 -7.886 10.237 1.00 0.21 H new ATOM 0 HA2 GLY A 49 63.237 -5.145 11.463 1.00 0.22 H new ATOM 0 HA3 GLY A 49 62.831 -6.636 12.290 1.00 0.22 H new ATOM 684 N ILE A 50 65.558 -5.358 12.449 1.00 0.23 N ATOM 685 CA ILE A 50 66.972 -5.462 12.935 1.00 0.26 C ATOM 686 C ILE A 50 67.037 -4.994 14.396 1.00 0.29 C ATOM 687 O ILE A 50 66.506 -3.953 14.739 1.00 0.34 O ATOM 688 CB ILE A 50 67.801 -4.540 12.014 1.00 0.31 C ATOM 689 CG1 ILE A 50 67.685 -5.005 10.555 1.00 0.33 C ATOM 690 CG2 ILE A 50 69.281 -4.580 12.419 1.00 0.38 C ATOM 691 CD1 ILE A 50 68.218 -3.915 9.623 1.00 0.40 C ATOM 0 H ILE A 50 65.133 -4.439 12.571 1.00 0.23 H new ATOM 0 HA ILE A 50 67.355 -6.482 12.903 1.00 0.26 H new ATOM 0 HB ILE A 50 67.415 -3.525 12.113 1.00 0.31 H new ATOM 0 HG12 ILE A 50 68.248 -5.927 10.411 1.00 0.33 H new ATOM 0 HG13 ILE A 50 66.645 -5.226 10.315 1.00 0.33 H new ATOM 0 HG21 ILE A 50 69.856 -3.926 11.763 1.00 0.38 H new ATOM 0 HG22 ILE A 50 69.385 -4.242 13.450 1.00 0.38 H new ATOM 0 HG23 ILE A 50 69.655 -5.600 12.332 1.00 0.38 H new ATOM 0 HD11 ILE A 50 68.134 -4.248 8.588 1.00 0.40 H new ATOM 0 HD12 ILE A 50 67.636 -3.003 9.759 1.00 0.40 H new ATOM 0 HD13 ILE A 50 69.264 -3.716 9.857 1.00 0.40 H new ATOM 703 N SER A 51 67.675 -5.765 15.247 1.00 0.32 N ATOM 704 CA SER A 51 67.930 -5.310 16.652 1.00 0.37 C ATOM 705 C SER A 51 69.264 -4.562 16.731 1.00 0.42 C ATOM 706 O SER A 51 70.304 -5.114 16.413 1.00 0.47 O ATOM 707 CB SER A 51 67.984 -6.590 17.489 1.00 0.42 C ATOM 708 OG SER A 51 69.129 -7.347 17.118 1.00 1.08 O ATOM 0 H SER A 51 68.032 -6.695 15.027 1.00 0.32 H new ATOM 0 HA SER A 51 67.158 -4.627 17.007 1.00 0.37 H new ATOM 0 HB2 SER A 51 68.026 -6.343 18.550 1.00 0.42 H new ATOM 0 HB3 SER A 51 67.079 -7.178 17.334 1.00 0.42 H new ATOM 0 HG SER A 51 69.721 -6.795 16.565 1.00 1.08 H new ATOM 714 N ILE A 52 69.236 -3.317 17.154 1.00 0.47 N ATOM 715 CA ILE A 52 70.491 -2.500 17.232 1.00 0.56 C ATOM 716 C ILE A 52 70.599 -1.859 18.624 1.00 0.59 C ATOM 717 O ILE A 52 69.676 -1.218 19.092 1.00 0.58 O ATOM 718 CB ILE A 52 70.361 -1.424 16.132 1.00 0.64 C ATOM 719 CG1 ILE A 52 70.212 -2.088 14.754 1.00 0.63 C ATOM 720 CG2 ILE A 52 71.612 -0.536 16.109 1.00 0.77 C ATOM 721 CD1 ILE A 52 69.745 -1.049 13.731 1.00 0.75 C ATOM 0 H ILE A 52 68.390 -2.830 17.450 1.00 0.47 H new ATOM 0 HA ILE A 52 71.388 -3.100 17.083 1.00 0.56 H new ATOM 0 HB ILE A 52 69.480 -0.820 16.351 1.00 0.64 H new ATOM 0 HG12 ILE A 52 71.163 -2.518 14.442 1.00 0.63 H new ATOM 0 HG13 ILE A 52 69.495 -2.907 14.809 1.00 0.63 H new ATOM 0 HG21 ILE A 52 71.508 0.219 15.329 1.00 0.77 H new ATOM 0 HG22 ILE A 52 71.728 -0.046 17.076 1.00 0.77 H new ATOM 0 HG23 ILE A 52 72.490 -1.149 15.906 1.00 0.77 H new ATOM 0 HD11 ILE A 52 69.640 -1.522 12.754 1.00 0.75 H new ATOM 0 HD12 ILE A 52 68.784 -0.639 14.041 1.00 0.75 H new ATOM 0 HD13 ILE A 52 70.479 -0.245 13.668 1.00 0.75 H new ATOM 733 N LEU A 53 71.728 -2.035 19.286 1.00 0.64 N ATOM 734 CA LEU A 53 71.999 -1.367 20.612 1.00 0.70 C ATOM 735 C LEU A 53 70.856 -1.602 21.615 1.00 0.65 C ATOM 736 O LEU A 53 70.568 -0.755 22.443 1.00 0.69 O ATOM 737 CB LEU A 53 72.146 0.128 20.302 1.00 0.76 C ATOM 738 CG LEU A 53 73.393 0.354 19.443 1.00 0.87 C ATOM 739 CD1 LEU A 53 73.376 1.778 18.883 1.00 0.84 C ATOM 740 CD2 LEU A 53 74.645 0.162 20.303 1.00 1.42 C ATOM 0 H LEU A 53 72.490 -2.627 18.955 1.00 0.64 H new ATOM 0 HA LEU A 53 72.895 -1.778 21.077 1.00 0.70 H new ATOM 0 HB2 LEU A 53 71.261 0.490 19.779 1.00 0.76 H new ATOM 0 HB3 LEU A 53 72.223 0.696 21.229 1.00 0.76 H new ATOM 0 HG LEU A 53 73.402 -0.361 18.620 1.00 0.87 H new ATOM 0 HD11 LEU A 53 74.264 1.939 18.271 1.00 0.84 H new ATOM 0 HD12 LEU A 53 72.484 1.918 18.272 1.00 0.84 H new ATOM 0 HD13 LEU A 53 73.368 2.493 19.706 1.00 0.84 H new ATOM 0 HD21 LEU A 53 75.534 0.323 19.693 1.00 1.42 H new ATOM 0 HD22 LEU A 53 74.635 0.878 21.125 1.00 1.42 H new ATOM 0 HD23 LEU A 53 74.659 -0.851 20.704 1.00 1.42 H new ATOM 752 N GLY A 54 70.213 -2.746 21.535 1.00 0.60 N ATOM 753 CA GLY A 54 69.124 -3.086 22.505 1.00 0.59 C ATOM 754 C GLY A 54 67.824 -2.351 22.139 1.00 0.54 C ATOM 755 O GLY A 54 66.979 -2.144 22.992 1.00 0.56 O ATOM 0 H GLY A 54 70.399 -3.463 20.833 1.00 0.60 H new ATOM 0 HA2 GLY A 54 68.952 -4.162 22.504 1.00 0.59 H new ATOM 0 HA3 GLY A 54 69.431 -2.813 23.515 1.00 0.59 H new ATOM 759 N LYS A 55 67.656 -1.958 20.889 1.00 0.50 N ATOM 760 CA LYS A 55 66.398 -1.269 20.464 1.00 0.48 C ATOM 761 C LYS A 55 65.895 -1.865 19.147 1.00 0.44 C ATOM 762 O LYS A 55 66.641 -1.970 18.189 1.00 0.45 O ATOM 763 CB LYS A 55 66.792 0.197 20.273 1.00 0.52 C ATOM 764 CG LYS A 55 67.137 0.817 21.628 1.00 1.25 C ATOM 765 CD LYS A 55 67.416 2.311 21.452 1.00 1.41 C ATOM 766 CE LYS A 55 67.868 2.908 22.786 1.00 2.19 C ATOM 767 NZ LYS A 55 68.193 4.328 22.479 1.00 2.67 N ATOM 0 H LYS A 55 68.344 -2.089 20.147 1.00 0.50 H new ATOM 0 HA LYS A 55 65.596 -1.382 21.194 1.00 0.48 H new ATOM 0 HB2 LYS A 55 67.647 0.270 19.600 1.00 0.52 H new ATOM 0 HB3 LYS A 55 65.973 0.746 19.808 1.00 0.52 H new ATOM 0 HG2 LYS A 55 66.313 0.670 22.327 1.00 1.25 H new ATOM 0 HG3 LYS A 55 68.009 0.322 22.055 1.00 1.25 H new ATOM 0 HD2 LYS A 55 68.186 2.461 20.695 1.00 1.41 H new ATOM 0 HD3 LYS A 55 66.519 2.820 21.099 1.00 1.41 H new ATOM 0 HE2 LYS A 55 67.082 2.836 23.538 1.00 2.19 H new ATOM 0 HE3 LYS A 55 68.736 2.380 23.181 1.00 2.19 H new ATOM 0 HZ1 LYS A 55 68.512 4.806 23.346 1.00 2.67 H new ATOM 0 HZ2 LYS A 55 68.949 4.365 21.765 1.00 2.67 H new ATOM 0 HZ3 LYS A 55 67.346 4.806 22.111 1.00 2.67 H new ATOM 781 N GLU A 56 64.640 -2.255 19.102 1.00 0.42 N ATOM 782 CA GLU A 56 64.078 -2.883 17.861 1.00 0.39 C ATOM 783 C GLU A 56 63.692 -1.802 16.846 1.00 0.36 C ATOM 784 O GLU A 56 62.945 -0.891 17.159 1.00 0.38 O ATOM 785 CB GLU A 56 62.836 -3.656 18.316 1.00 0.40 C ATOM 786 CG GLU A 56 62.563 -4.804 17.341 1.00 0.43 C ATOM 787 CD GLU A 56 63.522 -5.963 17.628 1.00 0.72 C ATOM 788 OE1 GLU A 56 63.708 -6.280 18.792 1.00 1.42 O ATOM 789 OE2 GLU A 56 64.052 -6.516 16.679 1.00 1.34 O ATOM 0 H GLU A 56 63.980 -2.165 19.874 1.00 0.42 H new ATOM 0 HA GLU A 56 64.803 -3.536 17.374 1.00 0.39 H new ATOM 0 HB2 GLU A 56 62.987 -4.047 19.322 1.00 0.40 H new ATOM 0 HB3 GLU A 56 61.975 -2.989 18.359 1.00 0.40 H new ATOM 0 HG2 GLU A 56 61.531 -5.140 17.440 1.00 0.43 H new ATOM 0 HG3 GLU A 56 62.689 -4.460 16.314 1.00 0.43 H new ATOM 796 N VAL A 57 64.200 -1.904 15.638 1.00 0.33 N ATOM 797 CA VAL A 57 63.793 -0.963 14.544 1.00 0.30 C ATOM 798 C VAL A 57 63.323 -1.764 13.319 1.00 0.27 C ATOM 799 O VAL A 57 63.974 -2.704 12.897 1.00 0.28 O ATOM 800 CB VAL A 57 65.050 -0.113 14.240 1.00 0.33 C ATOM 801 CG1 VAL A 57 66.232 -1.000 13.822 1.00 0.36 C ATOM 802 CG2 VAL A 57 64.754 0.886 13.114 1.00 0.31 C ATOM 0 H VAL A 57 64.886 -2.606 15.362 1.00 0.33 H new ATOM 0 HA VAL A 57 62.959 -0.320 14.827 1.00 0.30 H new ATOM 0 HB VAL A 57 65.315 0.422 15.152 1.00 0.33 H new ATOM 0 HG11 VAL A 57 67.101 -0.375 13.615 1.00 0.36 H new ATOM 0 HG12 VAL A 57 66.469 -1.694 14.628 1.00 0.36 H new ATOM 0 HG13 VAL A 57 65.967 -1.561 12.926 1.00 0.36 H new ATOM 0 HG21 VAL A 57 65.646 1.478 12.909 1.00 0.31 H new ATOM 0 HG22 VAL A 57 64.464 0.344 12.214 1.00 0.31 H new ATOM 0 HG23 VAL A 57 63.942 1.546 13.418 1.00 0.31 H new ATOM 812 N LYS A 58 62.192 -1.393 12.761 1.00 0.24 N ATOM 813 CA LYS A 58 61.698 -2.046 11.509 1.00 0.21 C ATOM 814 C LYS A 58 62.082 -1.208 10.285 1.00 0.20 C ATOM 815 O LYS A 58 61.894 -0.003 10.272 1.00 0.23 O ATOM 816 CB LYS A 58 60.176 -2.101 11.660 1.00 0.22 C ATOM 817 CG LYS A 58 59.806 -3.065 12.790 1.00 0.24 C ATOM 818 CD LYS A 58 58.294 -3.295 12.793 1.00 0.56 C ATOM 819 CE LYS A 58 57.585 -2.040 13.308 1.00 1.00 C ATOM 820 NZ LYS A 58 56.132 -2.346 13.193 1.00 1.61 N ATOM 0 H LYS A 58 61.586 -0.658 13.126 1.00 0.24 H new ATOM 0 HA LYS A 58 62.130 -3.036 11.366 1.00 0.21 H new ATOM 0 HB2 LYS A 58 59.786 -1.106 11.875 1.00 0.22 H new ATOM 0 HB3 LYS A 58 59.719 -2.428 10.726 1.00 0.22 H new ATOM 0 HG2 LYS A 58 60.328 -4.013 12.659 1.00 0.24 H new ATOM 0 HG3 LYS A 58 60.124 -2.656 13.749 1.00 0.24 H new ATOM 0 HD2 LYS A 58 57.950 -3.532 11.786 1.00 0.56 H new ATOM 0 HD3 LYS A 58 58.047 -4.149 13.424 1.00 0.56 H new ATOM 0 HE2 LYS A 58 57.863 -1.825 14.340 1.00 1.00 H new ATOM 0 HE3 LYS A 58 57.852 -1.164 12.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 55.578 -1.532 13.528 1.00 1.61 H new ATOM 0 HZ2 LYS A 58 55.896 -2.540 12.199 1.00 1.61 H new ATOM 0 HZ3 LYS A 58 55.906 -3.180 13.772 1.00 1.61 H new ATOM 834 N PHE A 59 62.614 -1.842 9.264 1.00 0.18 N ATOM 835 CA PHE A 59 62.971 -1.115 8.006 1.00 0.17 C ATOM 836 C PHE A 59 62.117 -1.623 6.842 1.00 0.15 C ATOM 837 O PHE A 59 61.988 -2.820 6.642 1.00 0.15 O ATOM 838 CB PHE A 59 64.445 -1.444 7.761 1.00 0.20 C ATOM 839 CG PHE A 59 65.399 -0.667 8.637 1.00 0.18 C ATOM 840 CD1 PHE A 59 65.756 0.674 8.293 1.00 0.38 C ATOM 841 CD2 PHE A 59 65.954 -1.276 9.804 1.00 0.38 C ATOM 842 CE1 PHE A 59 66.665 1.406 9.118 1.00 0.46 C ATOM 843 CE2 PHE A 59 66.864 -0.545 10.627 1.00 0.39 C ATOM 844 CZ PHE A 59 67.219 0.795 10.286 1.00 0.32 C ATOM 0 H PHE A 59 62.817 -2.842 9.251 1.00 0.18 H new ATOM 0 HA PHE A 59 62.798 -0.042 8.089 1.00 0.17 H new ATOM 0 HB2 PHE A 59 64.602 -2.510 7.926 1.00 0.20 H new ATOM 0 HB3 PHE A 59 64.683 -1.245 6.716 1.00 0.20 H new ATOM 0 HD1 PHE A 59 65.339 1.134 7.409 1.00 0.38 H new ATOM 0 HD2 PHE A 59 65.685 -2.289 10.064 1.00 0.38 H new ATOM 0 HE1 PHE A 59 66.933 2.420 8.859 1.00 0.46 H new ATOM 0 HE2 PHE A 59 67.284 -1.007 11.508 1.00 0.39 H new ATOM 0 HZ PHE A 59 67.906 1.347 10.910 1.00 0.32 H new ATOM 854 N LYS A 60 61.535 -0.721 6.083 1.00 0.15 N ATOM 855 CA LYS A 60 60.779 -1.119 4.857 1.00 0.15 C ATOM 856 C LYS A 60 61.599 -0.799 3.603 1.00 0.14 C ATOM 857 O LYS A 60 62.258 0.224 3.537 1.00 0.16 O ATOM 858 CB LYS A 60 59.502 -0.281 4.885 1.00 0.20 C ATOM 859 CG LYS A 60 58.534 -0.794 3.816 1.00 0.27 C ATOM 860 CD LYS A 60 57.288 0.094 3.782 1.00 0.59 C ATOM 861 CE LYS A 60 56.270 -0.494 2.801 1.00 0.44 C ATOM 862 NZ LYS A 60 55.453 0.668 2.354 1.00 1.47 N ATOM 0 H LYS A 60 61.554 0.282 6.266 1.00 0.15 H new ATOM 0 HA LYS A 60 60.565 -2.188 4.836 1.00 0.15 H new ATOM 0 HB2 LYS A 60 59.038 -0.338 5.869 1.00 0.20 H new ATOM 0 HB3 LYS A 60 59.738 0.768 4.705 1.00 0.20 H new ATOM 0 HG2 LYS A 60 59.020 -0.793 2.840 1.00 0.27 H new ATOM 0 HG3 LYS A 60 58.252 -1.825 4.031 1.00 0.27 H new ATOM 0 HD2 LYS A 60 56.851 0.164 4.778 1.00 0.59 H new ATOM 0 HD3 LYS A 60 57.558 1.106 3.480 1.00 0.59 H new ATOM 0 HE2 LYS A 60 56.766 -0.976 1.958 1.00 0.44 H new ATOM 0 HE3 LYS A 60 55.650 -1.251 3.281 1.00 0.44 H new ATOM 0 HZ1 LYS A 60 54.731 0.345 1.678 1.00 1.47 H new ATOM 0 HZ2 LYS A 60 54.988 1.102 3.177 1.00 1.47 H new ATOM 0 HZ3 LYS A 60 56.069 1.369 1.895 1.00 1.47 H new ATOM 876 N VAL A 61 61.558 -1.670 2.620 1.00 0.13 N ATOM 877 CA VAL A 61 62.279 -1.410 1.330 1.00 0.12 C ATOM 878 C VAL A 61 61.391 -0.550 0.425 1.00 0.13 C ATOM 879 O VAL A 61 60.333 -0.981 0.000 1.00 0.14 O ATOM 880 CB VAL A 61 62.540 -2.796 0.700 1.00 0.13 C ATOM 881 CG1 VAL A 61 63.313 -2.642 -0.616 1.00 0.14 C ATOM 882 CG2 VAL A 61 63.372 -3.663 1.654 1.00 0.15 C ATOM 0 H VAL A 61 61.053 -2.555 2.656 1.00 0.13 H new ATOM 0 HA VAL A 61 63.217 -0.874 1.476 1.00 0.12 H new ATOM 0 HB VAL A 61 61.577 -3.271 0.511 1.00 0.13 H new ATOM 0 HG11 VAL A 61 63.491 -3.626 -1.051 1.00 0.14 H new ATOM 0 HG12 VAL A 61 62.730 -2.038 -1.312 1.00 0.14 H new ATOM 0 HG13 VAL A 61 64.268 -2.153 -0.422 1.00 0.14 H new ATOM 0 HG21 VAL A 61 63.549 -4.637 1.199 1.00 0.15 H new ATOM 0 HG22 VAL A 61 64.327 -3.175 1.850 1.00 0.15 H new ATOM 0 HG23 VAL A 61 62.832 -3.793 2.592 1.00 0.15 H new ATOM 892 N VAL A 62 61.825 0.655 0.130 1.00 0.14 N ATOM 893 CA VAL A 62 60.959 1.623 -0.620 1.00 0.16 C ATOM 894 C VAL A 62 60.992 1.272 -2.112 1.00 0.14 C ATOM 895 O VAL A 62 59.968 1.264 -2.771 1.00 0.16 O ATOM 896 CB VAL A 62 61.554 3.024 -0.364 1.00 0.19 C ATOM 897 CG1 VAL A 62 60.714 4.096 -1.071 1.00 0.22 C ATOM 898 CG2 VAL A 62 61.561 3.326 1.140 1.00 0.21 C ATOM 0 H VAL A 62 62.748 1.011 0.379 1.00 0.14 H new ATOM 0 HA VAL A 62 59.919 1.588 -0.295 1.00 0.16 H new ATOM 0 HB VAL A 62 62.572 3.037 -0.752 1.00 0.19 H new ATOM 0 HG11 VAL A 62 61.145 5.079 -0.882 1.00 0.22 H new ATOM 0 HG12 VAL A 62 60.706 3.903 -2.144 1.00 0.22 H new ATOM 0 HG13 VAL A 62 59.693 4.068 -0.690 1.00 0.22 H new ATOM 0 HG21 VAL A 62 61.983 4.317 1.310 1.00 0.21 H new ATOM 0 HG22 VAL A 62 60.541 3.295 1.522 1.00 0.21 H new ATOM 0 HG23 VAL A 62 62.165 2.581 1.658 1.00 0.21 H new ATOM 908 N GLN A 63 62.165 0.981 -2.634 1.00 0.13 N ATOM 909 CA GLN A 63 62.297 0.665 -4.092 1.00 0.13 C ATOM 910 C GLN A 63 63.631 -0.039 -4.365 1.00 0.11 C ATOM 911 O GLN A 63 64.663 0.360 -3.857 1.00 0.13 O ATOM 912 CB GLN A 63 62.243 2.020 -4.814 1.00 0.16 C ATOM 913 CG GLN A 63 60.810 2.314 -5.273 1.00 0.67 C ATOM 914 CD GLN A 63 60.835 3.270 -6.468 1.00 0.99 C ATOM 915 OE1 GLN A 63 61.330 4.374 -6.367 1.00 1.78 O ATOM 916 NE2 GLN A 63 60.316 2.888 -7.603 1.00 1.45 N ATOM 0 H GLN A 63 63.038 0.950 -2.108 1.00 0.13 H new ATOM 0 HA GLN A 63 61.508 -0.004 -4.436 1.00 0.13 H new ATOM 0 HB2 GLN A 63 62.589 2.810 -4.148 1.00 0.16 H new ATOM 0 HB3 GLN A 63 62.914 2.010 -5.673 1.00 0.16 H new ATOM 0 HG2 GLN A 63 60.309 1.386 -5.548 1.00 0.67 H new ATOM 0 HG3 GLN A 63 60.239 2.754 -4.455 1.00 0.67 H new ATOM 0 HE21 GLN A 63 59.900 1.960 -7.687 1.00 1.45 H new ATOM 0 HE22 GLN A 63 60.326 3.517 -8.406 1.00 1.45 H new ATOM 925 N ALA A 64 63.599 -1.080 -5.165 1.00 0.11 N ATOM 926 CA ALA A 64 64.860 -1.741 -5.620 1.00 0.11 C ATOM 927 C ALA A 64 65.133 -1.391 -7.087 1.00 0.11 C ATOM 928 O ALA A 64 64.253 -1.488 -7.923 1.00 0.12 O ATOM 929 CB ALA A 64 64.598 -3.240 -5.466 1.00 0.12 C ATOM 0 H ALA A 64 62.743 -1.502 -5.524 1.00 0.11 H new ATOM 0 HA ALA A 64 65.729 -1.419 -5.046 1.00 0.11 H new ATOM 0 HB1 ALA A 64 65.480 -3.798 -5.781 1.00 0.12 H new ATOM 0 HB2 ALA A 64 64.379 -3.466 -4.422 1.00 0.12 H new ATOM 0 HB3 ALA A 64 63.748 -3.526 -6.085 1.00 0.12 H new ATOM 935 N TYR A 65 66.345 -0.985 -7.394 1.00 0.11 N ATOM 936 CA TYR A 65 66.693 -0.588 -8.795 1.00 0.12 C ATOM 937 C TYR A 65 67.971 -1.324 -9.253 1.00 0.12 C ATOM 938 O TYR A 65 69.015 -1.085 -8.681 1.00 0.13 O ATOM 939 CB TYR A 65 66.947 0.921 -8.718 1.00 0.14 C ATOM 940 CG TYR A 65 65.700 1.752 -8.909 1.00 0.16 C ATOM 941 CD1 TYR A 65 65.131 1.896 -10.212 1.00 0.22 C ATOM 942 CD2 TYR A 65 65.091 2.396 -7.787 1.00 0.23 C ATOM 943 CE1 TYR A 65 63.952 2.683 -10.393 1.00 0.25 C ATOM 944 CE2 TYR A 65 63.912 3.182 -7.968 1.00 0.27 C ATOM 945 CZ TYR A 65 63.342 3.327 -9.272 1.00 0.24 C ATOM 946 OH TYR A 65 62.204 4.087 -9.447 1.00 0.28 O ATOM 0 H TYR A 65 67.113 -0.912 -6.727 1.00 0.11 H new ATOM 0 HA TYR A 65 65.907 -0.839 -9.507 1.00 0.12 H new ATOM 0 HB2 TYR A 65 67.388 1.158 -7.750 1.00 0.14 H new ATOM 0 HB3 TYR A 65 67.678 1.198 -9.477 1.00 0.14 H new ATOM 0 HD1 TYR A 65 65.592 1.410 -11.059 1.00 0.22 H new ATOM 0 HD2 TYR A 65 65.522 2.288 -6.803 1.00 0.23 H new ATOM 0 HE1 TYR A 65 63.521 2.791 -11.378 1.00 0.25 H new ATOM 0 HE2 TYR A 65 63.451 3.667 -7.120 1.00 0.27 H new ATOM 0 HH TYR A 65 61.686 3.732 -10.200 1.00 0.28 H new ATOM 956 N PRO A 66 67.901 -2.193 -10.256 1.00 0.13 N ATOM 957 CA PRO A 66 66.629 -2.798 -10.777 1.00 0.13 C ATOM 958 C PRO A 66 66.104 -3.852 -9.799 1.00 0.12 C ATOM 959 O PRO A 66 66.832 -4.312 -8.939 1.00 0.12 O ATOM 960 CB PRO A 66 67.063 -3.452 -12.087 1.00 0.17 C ATOM 961 CG PRO A 66 68.498 -3.786 -11.874 1.00 0.18 C ATOM 962 CD PRO A 66 69.064 -2.699 -11.003 1.00 0.16 C ATOM 0 HA PRO A 66 65.827 -2.071 -10.907 1.00 0.13 H new ATOM 0 HB2 PRO A 66 66.474 -4.344 -12.300 1.00 0.17 H new ATOM 0 HB3 PRO A 66 66.933 -2.775 -12.932 1.00 0.17 H new ATOM 0 HG2 PRO A 66 68.603 -4.760 -11.396 1.00 0.18 H new ATOM 0 HG3 PRO A 66 69.029 -3.838 -12.824 1.00 0.18 H new ATOM 0 HD2 PRO A 66 69.831 -3.085 -10.332 1.00 0.16 H new ATOM 0 HD3 PRO A 66 69.528 -1.913 -11.598 1.00 0.16 H new ATOM 970 N SER A 67 64.854 -4.233 -9.928 1.00 0.13 N ATOM 971 CA SER A 67 64.291 -5.314 -9.059 1.00 0.16 C ATOM 972 C SER A 67 64.214 -6.637 -9.852 1.00 0.19 C ATOM 973 O SER A 67 63.870 -6.603 -11.016 1.00 0.20 O ATOM 974 CB SER A 67 62.885 -4.832 -8.693 1.00 0.18 C ATOM 975 OG SER A 67 62.983 -3.695 -7.847 1.00 0.24 O ATOM 0 H SER A 67 64.197 -3.839 -10.602 1.00 0.13 H new ATOM 0 HA SER A 67 64.903 -5.500 -8.176 1.00 0.16 H new ATOM 0 HB2 SER A 67 62.328 -4.581 -9.596 1.00 0.18 H new ATOM 0 HB3 SER A 67 62.335 -5.627 -8.190 1.00 0.18 H new ATOM 0 HG SER A 67 63.379 -2.950 -8.345 1.00 0.24 H new ATOM 981 N PRO A 68 64.528 -7.777 -9.241 1.00 0.25 N ATOM 982 CA PRO A 68 65.288 -7.865 -7.950 1.00 0.24 C ATOM 983 C PRO A 68 66.767 -7.523 -8.168 1.00 0.18 C ATOM 984 O PRO A 68 67.251 -7.535 -9.286 1.00 0.20 O ATOM 985 CB PRO A 68 65.131 -9.330 -7.547 1.00 0.33 C ATOM 986 CG PRO A 68 64.941 -10.049 -8.838 1.00 0.38 C ATOM 987 CD PRO A 68 64.175 -9.117 -9.736 1.00 0.35 C ATOM 0 HA PRO A 68 64.924 -7.171 -7.193 1.00 0.24 H new ATOM 0 HB2 PRO A 68 66.011 -9.693 -7.015 1.00 0.33 H new ATOM 0 HB3 PRO A 68 64.277 -9.471 -6.884 1.00 0.33 H new ATOM 0 HG2 PRO A 68 65.902 -10.312 -9.281 1.00 0.38 H new ATOM 0 HG3 PRO A 68 64.394 -10.980 -8.687 1.00 0.38 H new ATOM 0 HD2 PRO A 68 64.460 -9.245 -10.780 1.00 0.35 H new ATOM 0 HD3 PRO A 68 63.101 -9.295 -9.674 1.00 0.35 H new ATOM 995 N LEU A 69 67.476 -7.217 -7.104 1.00 0.15 N ATOM 996 CA LEU A 69 68.968 -7.097 -7.183 1.00 0.13 C ATOM 997 C LEU A 69 69.618 -7.646 -5.906 1.00 0.13 C ATOM 998 O LEU A 69 68.995 -7.690 -4.861 1.00 0.13 O ATOM 999 CB LEU A 69 69.265 -5.597 -7.367 1.00 0.12 C ATOM 1000 CG LEU A 69 68.736 -4.768 -6.179 1.00 0.11 C ATOM 1001 CD1 LEU A 69 69.809 -4.694 -5.083 1.00 0.12 C ATOM 1002 CD2 LEU A 69 68.381 -3.347 -6.647 1.00 0.12 C ATOM 0 H LEU A 69 67.081 -7.044 -6.179 1.00 0.15 H new ATOM 0 HA LEU A 69 69.378 -7.676 -8.010 1.00 0.13 H new ATOM 0 HB2 LEU A 69 70.340 -5.447 -7.467 1.00 0.12 H new ATOM 0 HB3 LEU A 69 68.807 -5.245 -8.291 1.00 0.12 H new ATOM 0 HG LEU A 69 67.842 -5.248 -5.781 1.00 0.11 H new ATOM 0 HD11 LEU A 69 69.433 -4.108 -4.245 1.00 0.12 H new ATOM 0 HD12 LEU A 69 70.051 -5.701 -4.742 1.00 0.12 H new ATOM 0 HD13 LEU A 69 70.706 -4.221 -5.483 1.00 0.12 H new ATOM 0 HD21 LEU A 69 68.008 -2.768 -5.802 1.00 0.12 H new ATOM 0 HD22 LEU A 69 69.270 -2.865 -7.053 1.00 0.12 H new ATOM 0 HD23 LEU A 69 67.613 -3.399 -7.418 1.00 0.12 H new ATOM 1014 N ARG A 70 70.861 -8.065 -5.996 1.00 0.15 N ATOM 1015 CA ARG A 70 71.642 -8.415 -4.770 1.00 0.16 C ATOM 1016 C ARG A 70 72.427 -7.193 -4.287 1.00 0.16 C ATOM 1017 O ARG A 70 72.930 -6.421 -5.083 1.00 0.16 O ATOM 1018 CB ARG A 70 72.597 -9.537 -5.194 1.00 0.19 C ATOM 1019 CG ARG A 70 71.931 -10.898 -4.970 1.00 0.20 C ATOM 1020 CD ARG A 70 72.660 -11.964 -5.791 1.00 0.45 C ATOM 1021 NE ARG A 70 71.767 -13.166 -5.741 1.00 1.41 N ATOM 1022 CZ ARG A 70 71.695 -13.951 -4.680 1.00 2.05 C ATOM 1023 NH1 ARG A 70 72.401 -13.738 -3.592 1.00 2.69 N ATOM 1024 NH2 ARG A 70 70.891 -14.979 -4.713 1.00 2.48 N ATOM 0 H ARG A 70 71.368 -8.179 -6.874 1.00 0.15 H new ATOM 0 HA ARG A 70 70.998 -8.731 -3.950 1.00 0.16 H new ATOM 0 HB2 ARG A 70 72.865 -9.421 -6.244 1.00 0.19 H new ATOM 0 HB3 ARG A 70 73.522 -9.476 -4.621 1.00 0.19 H new ATOM 0 HG2 ARG A 70 71.957 -11.158 -3.912 1.00 0.20 H new ATOM 0 HG3 ARG A 70 70.882 -10.854 -5.262 1.00 0.20 H new ATOM 0 HD2 ARG A 70 72.819 -11.632 -6.817 1.00 0.45 H new ATOM 0 HD3 ARG A 70 73.642 -12.183 -5.371 1.00 0.45 H new ATOM 0 HE ARG A 70 71.194 -13.387 -6.555 1.00 1.41 H new ATOM 0 HH11 ARG A 70 73.036 -12.941 -3.544 1.00 2.69 H new ATOM 0 HH12 ARG A 70 72.314 -14.370 -2.796 1.00 2.69 H new ATOM 0 HH21 ARG A 70 70.333 -15.164 -5.547 1.00 2.48 H new ATOM 0 HH22 ARG A 70 70.820 -15.597 -3.905 1.00 2.48 H new ATOM 1038 N VAL A 71 72.530 -7.025 -2.988 1.00 0.16 N ATOM 1039 CA VAL A 71 73.246 -5.834 -2.422 1.00 0.17 C ATOM 1040 C VAL A 71 74.748 -6.140 -2.342 1.00 0.19 C ATOM 1041 O VAL A 71 75.149 -7.135 -1.766 1.00 0.24 O ATOM 1042 CB VAL A 71 72.641 -5.607 -1.020 1.00 0.19 C ATOM 1043 CG1 VAL A 71 73.310 -4.408 -0.336 1.00 0.21 C ATOM 1044 CG2 VAL A 71 71.138 -5.323 -1.139 1.00 0.20 C ATOM 0 H VAL A 71 72.147 -7.665 -2.292 1.00 0.16 H new ATOM 0 HA VAL A 71 73.131 -4.942 -3.037 1.00 0.17 H new ATOM 0 HB VAL A 71 72.807 -6.507 -0.428 1.00 0.19 H new ATOM 0 HG11 VAL A 71 72.872 -4.261 0.651 1.00 0.21 H new ATOM 0 HG12 VAL A 71 74.379 -4.597 -0.235 1.00 0.21 H new ATOM 0 HG13 VAL A 71 73.155 -3.513 -0.938 1.00 0.21 H new ATOM 0 HG21 VAL A 71 70.718 -5.164 -0.146 1.00 0.20 H new ATOM 0 HG22 VAL A 71 70.983 -4.431 -1.746 1.00 0.20 H new ATOM 0 HG23 VAL A 71 70.643 -6.172 -1.610 1.00 0.20 H new ATOM 1054 N GLU A 72 75.565 -5.289 -2.921 1.00 0.19 N ATOM 1055 CA GLU A 72 77.047 -5.478 -2.862 1.00 0.22 C ATOM 1056 C GLU A 72 77.727 -4.170 -2.444 1.00 0.22 C ATOM 1057 O GLU A 72 77.101 -3.125 -2.417 1.00 0.24 O ATOM 1058 CB GLU A 72 77.451 -5.868 -4.286 1.00 0.26 C ATOM 1059 CG GLU A 72 78.905 -6.344 -4.296 1.00 1.10 C ATOM 1060 CD GLU A 72 79.228 -6.967 -5.655 1.00 1.21 C ATOM 1061 OE1 GLU A 72 78.711 -8.037 -5.932 1.00 1.65 O ATOM 1062 OE2 GLU A 72 79.986 -6.364 -6.397 1.00 1.59 O ATOM 0 H GLU A 72 75.262 -4.463 -3.437 1.00 0.19 H new ATOM 0 HA GLU A 72 77.343 -6.234 -2.135 1.00 0.22 H new ATOM 0 HB2 GLU A 72 76.797 -6.657 -4.657 1.00 0.26 H new ATOM 0 HB3 GLU A 72 77.332 -5.015 -4.955 1.00 0.26 H new ATOM 0 HG2 GLU A 72 79.574 -5.507 -4.100 1.00 1.10 H new ATOM 0 HG3 GLU A 72 79.066 -7.073 -3.502 1.00 1.10 H new ATOM 1069 N ASP A 73 79.001 -4.228 -2.118 1.00 0.27 N ATOM 1070 CA ASP A 73 79.760 -2.985 -1.723 1.00 0.32 C ATOM 1071 C ASP A 73 79.733 -1.928 -2.842 1.00 0.31 C ATOM 1072 O ASP A 73 79.846 -0.743 -2.579 1.00 0.35 O ATOM 1073 CB ASP A 73 81.206 -3.436 -1.432 1.00 0.42 C ATOM 1074 CG ASP A 73 81.829 -4.116 -2.660 1.00 1.20 C ATOM 1075 OD1 ASP A 73 81.650 -5.314 -2.804 1.00 1.85 O ATOM 1076 OD2 ASP A 73 82.475 -3.426 -3.432 1.00 2.04 O ATOM 0 H ASP A 73 79.553 -5.086 -2.108 1.00 0.27 H new ATOM 0 HA ASP A 73 79.305 -2.516 -0.850 1.00 0.32 H new ATOM 0 HB2 ASP A 73 81.808 -2.574 -1.145 1.00 0.42 H new ATOM 0 HB3 ASP A 73 81.213 -4.125 -0.588 1.00 0.42 H new ATOM 1081 N ARG A 74 79.586 -2.356 -4.078 1.00 0.32 N ATOM 1082 CA ARG A 74 79.500 -1.386 -5.223 1.00 0.37 C ATOM 1083 C ARG A 74 78.080 -0.814 -5.365 1.00 0.31 C ATOM 1084 O ARG A 74 77.900 0.230 -5.969 1.00 0.35 O ATOM 1085 CB ARG A 74 79.876 -2.189 -6.473 1.00 0.44 C ATOM 1086 CG ARG A 74 81.349 -2.599 -6.392 1.00 1.20 C ATOM 1087 CD ARG A 74 81.755 -3.303 -7.689 1.00 1.69 C ATOM 1088 NE ARG A 74 83.159 -3.767 -7.452 1.00 2.35 N ATOM 1089 CZ ARG A 74 83.439 -4.829 -6.715 1.00 2.94 C ATOM 1090 NH1 ARG A 74 82.507 -5.554 -6.136 1.00 3.49 N ATOM 1091 NH2 ARG A 74 84.689 -5.171 -6.558 1.00 3.30 N ATOM 0 H ARG A 74 79.522 -3.339 -4.344 1.00 0.32 H new ATOM 0 HA ARG A 74 80.163 -0.535 -5.067 1.00 0.37 H new ATOM 0 HB2 ARG A 74 79.245 -3.074 -6.553 1.00 0.44 H new ATOM 0 HB3 ARG A 74 79.702 -1.592 -7.368 1.00 0.44 H new ATOM 0 HG2 ARG A 74 81.974 -1.720 -6.232 1.00 1.20 H new ATOM 0 HG3 ARG A 74 81.507 -3.262 -5.541 1.00 1.20 H new ATOM 0 HD2 ARG A 74 81.093 -4.141 -7.907 1.00 1.69 H new ATOM 0 HD3 ARG A 74 81.701 -2.624 -8.540 1.00 1.69 H new ATOM 0 HE ARG A 74 83.927 -3.245 -7.874 1.00 2.35 H new ATOM 0 HH11 ARG A 74 81.524 -5.305 -6.247 1.00 3.49 H new ATOM 0 HH12 ARG A 74 82.767 -6.366 -5.576 1.00 3.49 H new ATOM 0 HH21 ARG A 74 85.427 -4.623 -7.000 1.00 3.30 H new ATOM 0 HH22 ARG A 74 84.928 -5.986 -5.994 1.00 3.30 H new ATOM 1105 N THR A 75 77.081 -1.481 -4.821 1.00 0.23 N ATOM 1106 CA THR A 75 75.680 -0.943 -4.880 1.00 0.17 C ATOM 1107 C THR A 75 75.507 0.177 -3.847 1.00 0.15 C ATOM 1108 O THR A 75 75.902 0.036 -2.703 1.00 0.20 O ATOM 1109 CB THR A 75 74.760 -2.131 -4.558 1.00 0.18 C ATOM 1110 OG1 THR A 75 75.063 -3.209 -5.432 1.00 0.24 O ATOM 1111 CG2 THR A 75 73.295 -1.727 -4.744 1.00 0.17 C ATOM 0 H THR A 75 77.178 -2.375 -4.339 1.00 0.23 H new ATOM 0 HA THR A 75 75.446 -0.519 -5.856 1.00 0.17 H new ATOM 0 HB THR A 75 74.918 -2.435 -3.523 1.00 0.18 H new ATOM 0 HG1 THR A 75 74.760 -2.991 -6.338 1.00 0.24 H new ATOM 0 HG21 THR A 75 72.651 -2.576 -4.513 1.00 0.17 H new ATOM 0 HG22 THR A 75 73.058 -0.900 -4.075 1.00 0.17 H new ATOM 0 HG23 THR A 75 73.131 -1.417 -5.776 1.00 0.17 H new ATOM 1119 N LYS A 76 74.917 1.280 -4.254 1.00 0.14 N ATOM 1120 CA LYS A 76 74.744 2.447 -3.329 1.00 0.20 C ATOM 1121 C LYS A 76 73.433 2.313 -2.549 1.00 0.18 C ATOM 1122 O LYS A 76 72.445 1.836 -3.074 1.00 0.17 O ATOM 1123 CB LYS A 76 74.697 3.683 -4.235 1.00 0.27 C ATOM 1124 CG LYS A 76 76.054 3.870 -4.921 1.00 0.31 C ATOM 1125 CD LYS A 76 75.995 5.087 -5.846 1.00 0.41 C ATOM 1126 CE LYS A 76 77.158 5.029 -6.839 1.00 0.77 C ATOM 1127 NZ LYS A 76 78.373 5.307 -6.024 1.00 1.41 N ATOM 0 H LYS A 76 74.546 1.421 -5.194 1.00 0.14 H new ATOM 0 HA LYS A 76 75.551 2.510 -2.599 1.00 0.20 H new ATOM 0 HB2 LYS A 76 73.913 3.568 -4.983 1.00 0.27 H new ATOM 0 HB3 LYS A 76 74.450 4.568 -3.648 1.00 0.27 H new ATOM 0 HG2 LYS A 76 76.836 4.006 -4.174 1.00 0.31 H new ATOM 0 HG3 LYS A 76 76.311 2.978 -5.492 1.00 0.31 H new ATOM 0 HD2 LYS A 76 75.046 5.105 -6.382 1.00 0.41 H new ATOM 0 HD3 LYS A 76 76.048 6.005 -5.261 1.00 0.41 H new ATOM 0 HE2 LYS A 76 77.219 4.052 -7.319 1.00 0.77 H new ATOM 0 HE3 LYS A 76 77.037 5.767 -7.632 1.00 0.77 H new ATOM 0 HZ1 LYS A 76 79.177 5.503 -6.654 1.00 1.41 H new ATOM 0 HZ2 LYS A 76 78.201 6.133 -5.415 1.00 1.41 H new ATOM 0 HZ3 LYS A 76 78.591 4.480 -5.432 1.00 1.41 H new ATOM 1141 N ILE A 77 73.425 2.728 -1.301 1.00 0.20 N ATOM 1142 CA ILE A 77 72.168 2.686 -0.484 1.00 0.19 C ATOM 1143 C ILE A 77 71.894 4.080 0.097 1.00 0.21 C ATOM 1144 O ILE A 77 72.793 4.738 0.589 1.00 0.25 O ATOM 1145 CB ILE A 77 72.428 1.647 0.627 1.00 0.21 C ATOM 1146 CG1 ILE A 77 72.706 0.273 0.001 1.00 0.22 C ATOM 1147 CG2 ILE A 77 71.200 1.527 1.542 1.00 0.22 C ATOM 1148 CD1 ILE A 77 73.285 -0.668 1.059 1.00 0.42 C ATOM 0 H ILE A 77 74.241 3.096 -0.812 1.00 0.20 H new ATOM 0 HA ILE A 77 71.292 2.408 -1.070 1.00 0.19 H new ATOM 0 HB ILE A 77 73.289 1.975 1.209 1.00 0.21 H new ATOM 0 HG12 ILE A 77 71.785 -0.145 -0.406 1.00 0.22 H new ATOM 0 HG13 ILE A 77 73.404 0.376 -0.830 1.00 0.22 H new ATOM 0 HG21 ILE A 77 71.397 0.791 2.321 1.00 0.22 H new ATOM 0 HG22 ILE A 77 70.992 2.494 2.001 1.00 0.22 H new ATOM 0 HG23 ILE A 77 70.338 1.211 0.954 1.00 0.22 H new ATOM 0 HD11 ILE A 77 73.481 -1.642 0.611 1.00 0.42 H new ATOM 0 HD12 ILE A 77 74.216 -0.252 1.445 1.00 0.42 H new ATOM 0 HD13 ILE A 77 72.571 -0.781 1.875 1.00 0.42 H new ATOM 1160 N THR A 78 70.657 4.520 0.035 1.00 0.21 N ATOM 1161 CA THR A 78 70.300 5.888 0.529 1.00 0.23 C ATOM 1162 C THR A 78 69.142 5.809 1.529 1.00 0.23 C ATOM 1163 O THR A 78 68.209 5.047 1.344 1.00 0.21 O ATOM 1164 CB THR A 78 69.872 6.659 -0.721 1.00 0.25 C ATOM 1165 OG1 THR A 78 70.852 6.495 -1.736 1.00 0.26 O ATOM 1166 CG2 THR A 78 69.732 8.144 -0.381 1.00 0.29 C ATOM 0 H THR A 78 69.874 3.984 -0.340 1.00 0.21 H new ATOM 0 HA THR A 78 71.131 6.369 1.044 1.00 0.23 H new ATOM 0 HB THR A 78 68.915 6.276 -1.075 1.00 0.25 H new ATOM 0 HG1 THR A 78 70.578 6.987 -2.538 1.00 0.26 H new ATOM 0 HG21 THR A 78 69.427 8.694 -1.271 1.00 0.29 H new ATOM 0 HG22 THR A 78 68.980 8.270 0.398 1.00 0.29 H new ATOM 0 HG23 THR A 78 70.689 8.528 -0.027 1.00 0.29 H new ATOM 1174 N LEU A 79 69.207 6.594 2.582 1.00 0.26 N ATOM 1175 CA LEU A 79 68.103 6.620 3.591 1.00 0.26 C ATOM 1176 C LEU A 79 67.188 7.823 3.344 1.00 0.30 C ATOM 1177 O LEU A 79 67.648 8.950 3.267 1.00 0.35 O ATOM 1178 CB LEU A 79 68.806 6.750 4.944 1.00 0.32 C ATOM 1179 CG LEU A 79 69.576 5.463 5.248 1.00 0.33 C ATOM 1180 CD1 LEU A 79 70.517 5.698 6.430 1.00 0.43 C ATOM 1181 CD2 LEU A 79 68.588 4.348 5.599 1.00 0.33 C ATOM 0 H LEU A 79 69.985 7.222 2.784 1.00 0.26 H new ATOM 0 HA LEU A 79 67.477 5.729 3.541 1.00 0.26 H new ATOM 0 HB2 LEU A 79 69.489 7.600 4.930 1.00 0.32 H new ATOM 0 HB3 LEU A 79 68.074 6.942 5.729 1.00 0.32 H new ATOM 0 HG LEU A 79 70.157 5.173 4.372 1.00 0.33 H new ATOM 0 HD11 LEU A 79 71.065 4.781 6.646 1.00 0.43 H new ATOM 0 HD12 LEU A 79 71.221 6.492 6.182 1.00 0.43 H new ATOM 0 HD13 LEU A 79 69.936 5.988 7.305 1.00 0.43 H new ATOM 0 HD21 LEU A 79 69.136 3.431 5.816 1.00 0.33 H new ATOM 0 HD22 LEU A 79 68.007 4.639 6.474 1.00 0.33 H new ATOM 0 HD23 LEU A 79 67.916 4.179 4.757 1.00 0.33 H new ATOM 1193 N VAL A 80 65.901 7.583 3.221 1.00 0.29 N ATOM 1194 CA VAL A 80 64.927 8.699 2.995 1.00 0.36 C ATOM 1195 C VAL A 80 64.341 9.146 4.342 1.00 0.43 C ATOM 1196 O VAL A 80 64.014 8.326 5.183 1.00 0.40 O ATOM 1197 CB VAL A 80 63.831 8.113 2.080 1.00 0.37 C ATOM 1198 CG1 VAL A 80 62.759 9.170 1.785 1.00 0.46 C ATOM 1199 CG2 VAL A 80 64.446 7.659 0.750 1.00 0.36 C ATOM 0 H VAL A 80 65.482 6.654 3.268 1.00 0.29 H new ATOM 0 HA VAL A 80 65.391 9.573 2.538 1.00 0.36 H new ATOM 0 HB VAL A 80 63.378 7.264 2.592 1.00 0.37 H new ATOM 0 HG11 VAL A 80 61.993 8.741 1.139 1.00 0.46 H new ATOM 0 HG12 VAL A 80 62.303 9.497 2.720 1.00 0.46 H new ATOM 0 HG13 VAL A 80 63.218 10.024 1.287 1.00 0.46 H new ATOM 0 HG21 VAL A 80 63.666 7.247 0.110 1.00 0.36 H new ATOM 0 HG22 VAL A 80 64.909 8.512 0.254 1.00 0.36 H new ATOM 0 HG23 VAL A 80 65.201 6.896 0.940 1.00 0.36 H new ATOM 1209 N THR A 81 64.215 10.438 4.540 1.00 0.55 N ATOM 1210 CA THR A 81 63.517 10.966 5.752 1.00 0.65 C ATOM 1211 C THR A 81 62.803 12.279 5.422 1.00 0.81 C ATOM 1212 O THR A 81 63.066 12.892 4.402 1.00 1.34 O ATOM 1213 CB THR A 81 64.626 11.199 6.780 1.00 0.69 C ATOM 1214 OG1 THR A 81 65.650 11.992 6.197 1.00 0.78 O ATOM 1215 CG2 THR A 81 65.207 9.855 7.223 1.00 0.61 C ATOM 0 H THR A 81 64.570 11.154 3.906 1.00 0.55 H new ATOM 0 HA THR A 81 62.757 10.278 6.123 1.00 0.65 H new ATOM 0 HB THR A 81 64.215 11.716 7.647 1.00 0.69 H new ATOM 0 HG1 THR A 81 66.361 12.144 6.855 1.00 0.78 H new ATOM 0 HG21 THR A 81 65.997 10.024 7.955 1.00 0.61 H new ATOM 0 HG22 THR A 81 64.420 9.248 7.671 1.00 0.61 H new ATOM 0 HG23 THR A 81 65.619 9.334 6.359 1.00 0.61 H new ATOM 1223 N HIS A 82 61.905 12.707 6.284 1.00 1.22 N ATOM 1224 CA HIS A 82 61.159 13.982 6.049 1.00 1.39 C ATOM 1225 C HIS A 82 61.785 15.123 6.871 1.00 2.21 C ATOM 1226 O HIS A 82 62.408 14.857 7.882 1.00 3.11 O ATOM 1227 CB HIS A 82 59.734 13.698 6.524 1.00 2.25 C ATOM 1228 CG HIS A 82 58.909 12.933 5.526 1.00 2.96 C ATOM 1229 ND1 HIS A 82 59.355 11.756 4.946 1.00 3.75 N ATOM 1230 CD2 HIS A 82 57.664 13.163 4.996 1.00 3.70 C ATOM 1231 CE1 HIS A 82 58.394 11.326 4.109 1.00 4.68 C ATOM 1232 NE2 HIS A 82 57.340 12.147 4.101 1.00 4.70 N ATOM 0 H HIS A 82 61.658 12.221 7.146 1.00 1.22 H new ATOM 0 HA HIS A 82 61.187 14.292 5.004 1.00 1.39 H new ATOM 0 HB2 HIS A 82 59.776 13.135 7.456 1.00 2.25 H new ATOM 0 HB3 HIS A 82 59.238 14.643 6.745 1.00 2.25 H new ATOM 0 HD2 HIS A 82 57.031 14.005 5.237 1.00 3.70 H new ATOM 0 HE1 HIS A 82 58.466 10.426 3.516 1.00 4.68 H new ATOM 0 HE2 HIS A 82 56.483 12.050 3.557 1.00 4.70 H new ATOM 1240 N PRO A 83 61.608 16.361 6.424 1.00 2.43 N ATOM 1241 CA PRO A 83 62.182 17.520 7.164 1.00 3.57 C ATOM 1242 C PRO A 83 61.457 17.706 8.502 1.00 3.83 C ATOM 1243 O PRO A 83 60.246 17.561 8.522 1.00 4.32 O ATOM 1244 CB PRO A 83 61.937 18.713 6.237 1.00 4.01 C ATOM 1245 CG PRO A 83 60.803 18.299 5.358 1.00 3.42 C ATOM 1246 CD PRO A 83 60.878 16.803 5.217 1.00 2.34 C ATOM 1247 OXT PRO A 83 62.127 17.992 9.480 1.00 3.94 O ATOM 0 HA PRO A 83 63.238 17.392 7.402 1.00 3.57 H new ATOM 0 HB2 PRO A 83 61.688 19.609 6.806 1.00 4.01 H new ATOM 0 HB3 PRO A 83 62.826 18.945 5.650 1.00 4.01 H new ATOM 0 HG2 PRO A 83 59.849 18.598 5.793 1.00 3.42 H new ATOM 0 HG3 PRO A 83 60.874 18.782 4.384 1.00 3.42 H new ATOM 0 HD2 PRO A 83 59.884 16.357 5.167 1.00 2.34 H new ATOM 0 HD3 PRO A 83 61.403 16.515 4.306 1.00 2.34 H new TER 1255 PRO A 83