USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 36 GLN : amide:sc= -1.83! C(o=-4.7!,f=-10!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.87! C(o=-4.7!,f=-11!) USER MOD Set 2.1: A 14 SER OG : rot -82:sc= 0.36 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.713 K(o=1.1,f=0.33) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 41:sc= 0.968 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.425 USER MOD Single : A 10 SER OG : rot -140:sc= -0.47 USER MOD Single : A 11 SER OG : rot 180:sc= 0.027 USER MOD Single : A 17 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.273 K(o=-0.27,f=-0.95) USER MOD Single : A 30 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.857! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 156:sc= 1.18 USER MOD Single : A 54 SER OG : rot -29:sc= 0.719 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.21 K(o=1.2,f=-0.057) USER MOD Single : A 62 SER OG : rot 65:sc= 1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 170:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 81 THR OG1 : rot 108:sc= 0.914 USER MOD Single : A 85 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 89 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 90 THR OG1 : rot -32:sc= 0.0928 USER MOD Single : A 94 GLN : amide:sc= -0.677 K(o=-0.68,f=-3!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.11 USER MOD Single : A 103 ASN : amide:sc=-0.00547 X(o=-0.0055,f=-0.0055) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00407 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.558 4.479 16.544 1.00 0.00 N ATOM 2 CA ALA A 1 -16.894 3.604 15.396 1.00 0.00 C ATOM 3 C ALA A 1 -15.634 2.972 14.817 1.00 0.00 C ATOM 4 O ALA A 1 -14.853 3.636 14.131 1.00 0.00 O ATOM 5 CB ALA A 1 -17.632 4.393 14.323 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.429 4.901 16.925 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.092 3.917 17.285 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.917 5.235 16.229 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.547 2.807 15.752 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.871 3.735 13.487 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.553 4.800 14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.001 5.210 13.973 1.00 0.00 H new ATOM 11 N ALA A 2 -15.438 1.690 15.095 1.00 0.00 N ATOM 12 CA ALA A 2 -14.269 0.976 14.608 1.00 0.00 C ATOM 13 C ALA A 2 -14.557 0.309 13.269 1.00 0.00 C ATOM 14 O ALA A 2 -15.462 -0.522 13.160 1.00 0.00 O ATOM 15 CB ALA A 2 -13.820 -0.057 15.629 1.00 0.00 C ATOM 0 H ALA A 2 -16.075 1.124 15.656 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.465 1.697 14.461 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.944 -0.584 15.252 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.568 0.442 16.565 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.626 -0.770 15.803 1.00 0.00 H new ATOM 21 N PRO A 3 -13.807 0.686 12.224 1.00 0.00 N ATOM 22 CA PRO A 3 -13.979 0.121 10.883 1.00 0.00 C ATOM 23 C PRO A 3 -13.476 -1.318 10.794 1.00 0.00 C ATOM 24 O PRO A 3 -12.862 -1.835 11.729 1.00 0.00 O ATOM 25 CB PRO A 3 -13.138 1.044 9.999 1.00 0.00 C ATOM 26 CG PRO A 3 -12.094 1.592 10.909 1.00 0.00 C ATOM 27 CD PRO A 3 -12.734 1.698 12.264 1.00 0.00 C ATOM 0 HA PRO A 3 -15.028 0.072 10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.692 0.498 9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.745 1.840 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.222 0.938 10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.749 2.567 10.564 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.020 1.493 13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.132 2.697 12.442 1.00 0.00 H new ATOM 35 N THR A 4 -13.736 -1.957 9.667 1.00 0.00 N ATOM 36 CA THR A 4 -13.316 -3.326 9.454 1.00 0.00 C ATOM 37 C THR A 4 -12.270 -3.404 8.344 1.00 0.00 C ATOM 38 O THR A 4 -12.602 -3.477 7.160 1.00 0.00 O ATOM 39 CB THR A 4 -14.520 -4.217 9.098 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.659 -3.834 9.886 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.202 -5.680 9.342 1.00 0.00 C ATOM 0 H THR A 4 -14.240 -1.544 8.882 1.00 0.00 H new ATOM 0 HA THR A 4 -12.873 -3.687 10.382 1.00 0.00 H new ATOM 0 HB THR A 4 -14.744 -4.083 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.423 -4.403 9.655 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.068 -6.289 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.353 -5.976 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.956 -5.828 10.393 1.00 0.00 H new ATOM 49 N ALA A 5 -11.005 -3.358 8.728 1.00 0.00 N ATOM 50 CA ALA A 5 -9.919 -3.428 7.769 1.00 0.00 C ATOM 51 C ALA A 5 -9.546 -4.879 7.487 1.00 0.00 C ATOM 52 O ALA A 5 -8.675 -5.446 8.147 1.00 0.00 O ATOM 53 CB ALA A 5 -8.714 -2.649 8.280 1.00 0.00 C ATOM 0 H ALA A 5 -10.706 -3.272 9.699 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.250 -2.976 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.906 -2.709 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.992 -1.605 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.381 -3.074 9.227 1.00 0.00 H new ATOM 59 N THR A 6 -10.218 -5.482 6.517 1.00 0.00 N ATOM 60 CA THR A 6 -9.957 -6.863 6.159 1.00 0.00 C ATOM 61 C THR A 6 -8.974 -6.945 4.998 1.00 0.00 C ATOM 62 O THR A 6 -9.330 -6.694 3.847 1.00 0.00 O ATOM 63 CB THR A 6 -11.263 -7.589 5.787 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.115 -6.705 5.045 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.985 -8.073 7.036 1.00 0.00 C ATOM 0 H THR A 6 -10.949 -5.033 5.965 1.00 0.00 H new ATOM 0 HA THR A 6 -9.517 -7.353 7.028 1.00 0.00 H new ATOM 0 HB THR A 6 -11.015 -8.455 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.576 -6.187 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.905 -8.583 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.343 -8.763 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.225 -7.220 7.671 1.00 0.00 H new ATOM 73 N VAL A 7 -7.731 -7.269 5.307 1.00 0.00 N ATOM 74 CA VAL A 7 -6.703 -7.379 4.288 1.00 0.00 C ATOM 75 C VAL A 7 -6.114 -8.786 4.279 1.00 0.00 C ATOM 76 O VAL A 7 -6.034 -9.443 5.318 1.00 0.00 O ATOM 77 CB VAL A 7 -5.572 -6.343 4.494 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.111 -4.926 4.377 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.890 -6.538 5.841 1.00 0.00 C ATOM 0 H VAL A 7 -7.409 -7.461 6.256 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.176 -7.174 3.328 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.831 -6.499 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.299 -4.214 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.544 -4.782 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.878 -4.765 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.100 -5.797 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.622 -6.419 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.460 -7.538 5.889 1.00 0.00 H new ATOM 89 N THR A 8 -5.727 -9.250 3.101 1.00 0.00 N ATOM 90 CA THR A 8 -5.141 -10.573 2.951 1.00 0.00 C ATOM 91 C THR A 8 -3.647 -10.457 2.649 1.00 0.00 C ATOM 92 O THR A 8 -3.256 -10.168 1.519 1.00 0.00 O ATOM 93 CB THR A 8 -5.834 -11.367 1.826 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.249 -11.137 1.877 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.551 -12.858 1.965 1.00 0.00 C ATOM 0 H THR A 8 -5.809 -8.726 2.230 1.00 0.00 H new ATOM 0 HA THR A 8 -5.283 -11.109 3.890 1.00 0.00 H new ATOM 0 HB THR A 8 -5.441 -11.028 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.721 -11.928 1.542 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.050 -13.399 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.476 -13.031 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.924 -13.211 2.926 1.00 0.00 H new ATOM 103 N PRO A 9 -2.795 -10.654 3.664 1.00 0.00 N ATOM 104 CA PRO A 9 -1.348 -10.569 3.493 1.00 0.00 C ATOM 105 C PRO A 9 -0.781 -11.787 2.769 1.00 0.00 C ATOM 106 O PRO A 9 -1.158 -12.923 3.055 1.00 0.00 O ATOM 107 CB PRO A 9 -0.826 -10.494 4.929 1.00 0.00 C ATOM 108 CG PRO A 9 -1.859 -11.185 5.751 1.00 0.00 C ATOM 109 CD PRO A 9 -3.176 -10.970 5.054 1.00 0.00 C ATOM 0 HA PRO A 9 -1.054 -9.717 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.144 -10.982 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.695 -9.460 5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.636 -12.248 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.885 -10.779 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.804 -11.859 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.740 -10.156 5.509 1.00 0.00 H new ATOM 117 N SER A 10 0.116 -11.544 1.820 1.00 0.00 N ATOM 118 CA SER A 10 0.740 -12.615 1.050 1.00 0.00 C ATOM 119 C SER A 10 1.897 -13.257 1.825 1.00 0.00 C ATOM 120 O SER A 10 2.986 -13.462 1.285 1.00 0.00 O ATOM 121 CB SER A 10 1.238 -12.052 -0.279 1.00 0.00 C ATOM 122 OG SER A 10 0.297 -11.138 -0.817 1.00 0.00 O ATOM 0 H SER A 10 0.429 -10.608 1.564 1.00 0.00 H new ATOM 0 HA SER A 10 -0.002 -13.392 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.196 -11.553 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.407 -12.866 -0.984 1.00 0.00 H new ATOM 0 HG SER A 10 0.237 -11.263 -1.787 1.00 0.00 H new ATOM 128 N SER A 11 1.638 -13.589 3.081 1.00 0.00 N ATOM 129 CA SER A 11 2.633 -14.193 3.952 1.00 0.00 C ATOM 130 C SER A 11 2.998 -15.603 3.498 1.00 0.00 C ATOM 131 O SER A 11 2.179 -16.521 3.568 1.00 0.00 O ATOM 132 CB SER A 11 2.085 -14.225 5.378 1.00 0.00 C ATOM 133 OG SER A 11 1.099 -13.219 5.556 1.00 0.00 O ATOM 0 H SER A 11 0.731 -13.447 3.525 1.00 0.00 H new ATOM 0 HA SER A 11 3.542 -13.594 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.655 -15.205 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.897 -14.076 6.089 1.00 0.00 H new ATOM 0 HG SER A 11 0.757 -13.255 6.474 1.00 0.00 H new ATOM 139 N GLY A 12 4.221 -15.765 3.013 1.00 0.00 N ATOM 140 CA GLY A 12 4.677 -17.068 2.572 1.00 0.00 C ATOM 141 C GLY A 12 4.526 -17.273 1.079 1.00 0.00 C ATOM 142 O GLY A 12 4.864 -18.335 0.552 1.00 0.00 O ATOM 0 H GLY A 12 4.907 -15.016 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.725 -17.192 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.116 -17.840 3.098 1.00 0.00 H new ATOM 146 N LEU A 13 4.035 -16.259 0.390 1.00 0.00 N ATOM 147 CA LEU A 13 3.840 -16.345 -1.049 1.00 0.00 C ATOM 148 C LEU A 13 4.977 -15.643 -1.771 1.00 0.00 C ATOM 149 O LEU A 13 5.732 -14.892 -1.159 1.00 0.00 O ATOM 150 CB LEU A 13 2.489 -15.744 -1.442 1.00 0.00 C ATOM 151 CG LEU A 13 1.278 -16.415 -0.784 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.009 -15.713 -1.179 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.208 -17.887 -1.161 1.00 0.00 C ATOM 0 H LEU A 13 3.764 -15.366 0.802 1.00 0.00 H new ATOM 0 HA LEU A 13 3.840 -17.394 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.487 -14.685 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.379 -15.807 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 13 1.398 -16.337 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.855 -16.207 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.032 -14.672 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.129 -15.756 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.341 -18.344 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.118 -17.982 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.115 -18.392 -0.827 1.00 0.00 H new ATOM 165 N SER A 14 5.114 -15.905 -3.059 1.00 0.00 N ATOM 166 CA SER A 14 6.176 -15.299 -3.851 1.00 0.00 C ATOM 167 C SER A 14 5.715 -13.989 -4.488 1.00 0.00 C ATOM 168 O SER A 14 4.605 -13.522 -4.235 1.00 0.00 O ATOM 169 CB SER A 14 6.638 -16.279 -4.930 1.00 0.00 C ATOM 170 OG SER A 14 6.927 -17.548 -4.369 1.00 0.00 O ATOM 0 H SER A 14 4.504 -16.534 -3.581 1.00 0.00 H new ATOM 0 HA SER A 14 7.010 -15.071 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.864 -16.381 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.524 -15.887 -5.428 1.00 0.00 H new ATOM 0 HG SER A 14 7.830 -17.539 -3.988 1.00 0.00 H new ATOM 176 N ASP A 15 6.576 -13.394 -5.305 1.00 0.00 N ATOM 177 CA ASP A 15 6.253 -12.141 -5.977 1.00 0.00 C ATOM 178 C ASP A 15 5.255 -12.383 -7.105 1.00 0.00 C ATOM 179 O ASP A 15 5.100 -13.510 -7.582 1.00 0.00 O ATOM 180 CB ASP A 15 7.519 -11.479 -6.529 1.00 0.00 C ATOM 181 CG ASP A 15 8.152 -12.279 -7.649 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.802 -13.306 -7.356 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.006 -11.883 -8.824 1.00 0.00 O ATOM 0 H ASP A 15 7.504 -13.759 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 15 5.802 -11.470 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.274 -10.481 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.241 -11.355 -5.722 1.00 0.00 H new ATOM 188 N GLY A 16 4.582 -11.326 -7.533 1.00 0.00 N ATOM 189 CA GLY A 16 3.596 -11.449 -8.590 1.00 0.00 C ATOM 190 C GLY A 16 2.239 -11.841 -8.045 1.00 0.00 C ATOM 191 O GLY A 16 1.265 -11.962 -8.790 1.00 0.00 O ATOM 0 H GLY A 16 4.700 -10.381 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.514 -10.502 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.928 -12.195 -9.312 1.00 0.00 H new ATOM 195 N THR A 17 2.186 -12.042 -6.735 1.00 0.00 N ATOM 196 CA THR A 17 0.959 -12.425 -6.060 1.00 0.00 C ATOM 197 C THR A 17 0.030 -11.227 -5.901 1.00 0.00 C ATOM 198 O THR A 17 0.478 -10.103 -5.659 1.00 0.00 O ATOM 199 CB THR A 17 1.266 -13.031 -4.673 1.00 0.00 C ATOM 200 OG1 THR A 17 2.155 -14.147 -4.815 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.004 -13.486 -3.969 1.00 0.00 C ATOM 0 H THR A 17 2.990 -11.944 -6.115 1.00 0.00 H new ATOM 0 HA THR A 17 0.462 -13.176 -6.674 1.00 0.00 H new ATOM 0 HB THR A 17 1.734 -12.255 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.077 -13.823 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.250 -13.907 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.670 -12.634 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.503 -14.244 -4.573 1.00 0.00 H new ATOM 209 N VAL A 18 -1.261 -11.475 -6.058 1.00 0.00 N ATOM 210 CA VAL A 18 -2.263 -10.436 -5.935 1.00 0.00 C ATOM 211 C VAL A 18 -2.703 -10.284 -4.481 1.00 0.00 C ATOM 212 O VAL A 18 -3.284 -11.201 -3.896 1.00 0.00 O ATOM 213 CB VAL A 18 -3.494 -10.738 -6.816 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.439 -9.552 -6.836 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.064 -11.103 -8.232 1.00 0.00 C ATOM 0 H VAL A 18 -1.639 -12.398 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.811 -9.504 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.021 -11.590 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.301 -9.784 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.775 -9.337 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.922 -8.681 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.946 -11.312 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.512 -10.272 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.426 -11.986 -8.202 1.00 0.00 H new ATOM 225 N VAL A 19 -2.393 -9.138 -3.898 1.00 0.00 N ATOM 226 CA VAL A 19 -2.761 -8.847 -2.521 1.00 0.00 C ATOM 227 C VAL A 19 -4.188 -8.309 -2.472 1.00 0.00 C ATOM 228 O VAL A 19 -4.559 -7.450 -3.277 1.00 0.00 O ATOM 229 CB VAL A 19 -1.805 -7.815 -1.882 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.969 -7.790 -0.372 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.358 -8.104 -2.261 1.00 0.00 C ATOM 0 H VAL A 19 -1.882 -8.387 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.689 -9.775 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.066 -6.831 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.286 -7.056 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.995 -7.520 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.744 -8.776 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.294 -7.363 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.082 -9.099 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.249 -8.057 -3.345 1.00 0.00 H new ATOM 241 N LYS A 20 -4.983 -8.817 -1.540 1.00 0.00 N ATOM 242 CA LYS A 20 -6.368 -8.385 -1.403 1.00 0.00 C ATOM 243 C LYS A 20 -6.512 -7.382 -0.263 1.00 0.00 C ATOM 244 O LYS A 20 -6.210 -7.691 0.891 1.00 0.00 O ATOM 245 CB LYS A 20 -7.281 -9.590 -1.156 1.00 0.00 C ATOM 246 CG LYS A 20 -8.754 -9.225 -1.049 1.00 0.00 C ATOM 247 CD LYS A 20 -9.588 -10.389 -0.538 1.00 0.00 C ATOM 248 CE LYS A 20 -9.631 -11.531 -1.539 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.441 -12.671 -1.038 1.00 0.00 N ATOM 0 H LYS A 20 -4.693 -9.528 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.665 -7.899 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.151 -10.307 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.971 -10.088 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.870 -8.373 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.124 -8.914 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.174 -10.747 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.602 -10.047 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.048 -11.174 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.616 -11.870 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.447 -13.431 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.028 -13.028 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.416 -12.354 -0.862 1.00 0.00 H new ATOM 263 N VAL A 21 -6.960 -6.178 -0.596 1.00 0.00 N ATOM 264 CA VAL A 21 -7.162 -5.126 0.394 1.00 0.00 C ATOM 265 C VAL A 21 -8.613 -4.661 0.365 1.00 0.00 C ATOM 266 O VAL A 21 -9.049 -4.037 -0.600 1.00 0.00 O ATOM 267 CB VAL A 21 -6.232 -3.917 0.139 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.445 -2.837 1.190 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.775 -4.356 0.113 1.00 0.00 C ATOM 0 H VAL A 21 -7.192 -5.904 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.921 -5.541 1.373 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.483 -3.498 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.780 -1.997 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.480 -2.496 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.228 -3.243 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.137 -3.491 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.513 -4.806 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.629 -5.086 -0.683 1.00 0.00 H new ATOM 279 N ALA A 22 -9.363 -4.981 1.413 1.00 0.00 N ATOM 280 CA ALA A 22 -10.764 -4.593 1.492 1.00 0.00 C ATOM 281 C ALA A 22 -11.054 -3.848 2.788 1.00 0.00 C ATOM 282 O ALA A 22 -11.166 -4.454 3.854 1.00 0.00 O ATOM 283 CB ALA A 22 -11.660 -5.815 1.373 1.00 0.00 C ATOM 0 H ALA A 22 -9.024 -5.507 2.218 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.975 -3.920 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.704 -5.508 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.481 -6.305 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.438 -6.509 2.184 1.00 0.00 H new ATOM 289 N GLY A 23 -11.159 -2.533 2.695 1.00 0.00 N ATOM 290 CA GLY A 23 -11.440 -1.731 3.868 1.00 0.00 C ATOM 291 C GLY A 23 -12.907 -1.366 3.967 1.00 0.00 C ATOM 292 O GLY A 23 -13.429 -0.642 3.120 1.00 0.00 O ATOM 0 H GLY A 23 -11.055 -2.005 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.141 -2.279 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.841 -0.821 3.837 1.00 0.00 H new ATOM 296 N ALA A 24 -13.576 -1.880 4.987 1.00 0.00 N ATOM 297 CA ALA A 24 -14.990 -1.604 5.192 1.00 0.00 C ATOM 298 C ALA A 24 -15.184 -0.633 6.348 1.00 0.00 C ATOM 299 O ALA A 24 -14.497 -0.718 7.368 1.00 0.00 O ATOM 300 CB ALA A 24 -15.749 -2.899 5.443 1.00 0.00 C ATOM 0 H ALA A 24 -13.161 -2.493 5.689 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.388 -1.140 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.806 -2.678 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.636 -3.559 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.350 -3.389 6.331 1.00 0.00 H new ATOM 306 N GLY A 25 -16.105 0.301 6.179 1.00 0.00 N ATOM 307 CA GLY A 25 -16.369 1.272 7.220 1.00 0.00 C ATOM 308 C GLY A 25 -15.445 2.468 7.127 1.00 0.00 C ATOM 309 O GLY A 25 -15.033 3.029 8.141 1.00 0.00 O ATOM 0 H GLY A 25 -16.675 0.405 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.404 1.607 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.253 0.799 8.195 1.00 0.00 H new ATOM 313 N LEU A 26 -15.119 2.854 5.906 1.00 0.00 N ATOM 314 CA LEU A 26 -14.240 3.986 5.665 1.00 0.00 C ATOM 315 C LEU A 26 -15.065 5.247 5.428 1.00 0.00 C ATOM 316 O LEU A 26 -16.247 5.294 5.776 1.00 0.00 O ATOM 317 CB LEU A 26 -13.331 3.701 4.466 1.00 0.00 C ATOM 318 CG LEU A 26 -12.295 2.591 4.683 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.582 2.260 3.379 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.285 3.003 5.748 1.00 0.00 C ATOM 0 H LEU A 26 -15.453 2.395 5.058 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.613 4.143 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.954 3.433 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.807 4.619 4.201 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.818 1.699 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.851 1.470 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.310 1.923 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.073 3.149 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.558 2.203 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.770 3.910 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.804 3.191 6.688 1.00 0.00 H new ATOM 332 N GLN A 27 -14.454 6.265 4.842 1.00 0.00 N ATOM 333 CA GLN A 27 -15.156 7.509 4.576 1.00 0.00 C ATOM 334 C GLN A 27 -15.537 7.600 3.101 1.00 0.00 C ATOM 335 O GLN A 27 -14.677 7.813 2.240 1.00 0.00 O ATOM 336 CB GLN A 27 -14.294 8.708 4.982 1.00 0.00 C ATOM 337 CG GLN A 27 -15.060 10.021 5.015 1.00 0.00 C ATOM 338 CD GLN A 27 -16.281 9.964 5.919 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.298 9.242 6.918 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.307 10.723 5.577 1.00 0.00 N ATOM 0 H GLN A 27 -13.479 6.254 4.543 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.069 7.525 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.866 8.521 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.461 8.800 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.397 10.816 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.373 10.280 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.254 11.307 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.152 10.725 6.148 1.00 0.00 H new ATOM 349 N ALA A 28 -16.824 7.425 2.823 1.00 0.00 N ATOM 350 CA ALA A 28 -17.340 7.478 1.463 1.00 0.00 C ATOM 351 C ALA A 28 -17.096 8.849 0.839 1.00 0.00 C ATOM 352 O ALA A 28 -17.389 9.879 1.447 1.00 0.00 O ATOM 353 CB ALA A 28 -18.825 7.148 1.454 1.00 0.00 C ATOM 0 H ALA A 28 -17.535 7.243 3.531 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.809 6.736 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.201 7.191 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.978 6.146 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.362 7.871 2.068 1.00 0.00 H new ATOM 359 N GLY A 29 -16.549 8.852 -0.369 1.00 0.00 N ATOM 360 CA GLY A 29 -16.270 10.095 -1.060 1.00 0.00 C ATOM 361 C GLY A 29 -14.782 10.357 -1.183 1.00 0.00 C ATOM 362 O GLY A 29 -14.332 11.060 -2.091 1.00 0.00 O ATOM 0 H GLY A 29 -16.292 8.011 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.716 10.065 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.740 10.920 -0.525 1.00 0.00 H new ATOM 366 N THR A 30 -14.017 9.781 -0.274 1.00 0.00 N ATOM 367 CA THR A 30 -12.576 9.958 -0.279 1.00 0.00 C ATOM 368 C THR A 30 -11.879 8.822 -1.020 1.00 0.00 C ATOM 369 O THR A 30 -12.347 7.679 -1.007 1.00 0.00 O ATOM 370 CB THR A 30 -12.024 10.030 1.158 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.104 10.050 2.100 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.167 11.271 1.345 1.00 0.00 C ATOM 0 H THR A 30 -14.369 9.187 0.477 1.00 0.00 H new ATOM 0 HA THR A 30 -12.373 10.897 -0.794 1.00 0.00 H new ATOM 0 HB THR A 30 -11.407 9.148 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.491 9.153 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.788 11.301 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.329 11.243 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.768 12.160 1.155 1.00 0.00 H new ATOM 380 N ALA A 31 -10.769 9.142 -1.673 1.00 0.00 N ATOM 381 CA ALA A 31 -9.996 8.150 -2.398 1.00 0.00 C ATOM 382 C ALA A 31 -8.830 7.678 -1.540 1.00 0.00 C ATOM 383 O ALA A 31 -8.277 8.449 -0.751 1.00 0.00 O ATOM 384 CB ALA A 31 -9.492 8.716 -3.716 1.00 0.00 C ATOM 0 H ALA A 31 -10.385 10.086 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.640 7.300 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.915 7.955 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.340 9.018 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.858 9.581 -3.522 1.00 0.00 H new ATOM 390 N TYR A 32 -8.448 6.423 -1.698 1.00 0.00 N ATOM 391 CA TYR A 32 -7.361 5.858 -0.917 1.00 0.00 C ATOM 392 C TYR A 32 -6.249 5.346 -1.824 1.00 0.00 C ATOM 393 O TYR A 32 -6.504 4.827 -2.914 1.00 0.00 O ATOM 394 CB TYR A 32 -7.880 4.726 -0.019 1.00 0.00 C ATOM 395 CG TYR A 32 -8.903 5.169 1.007 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.244 5.311 0.667 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.524 5.449 2.312 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.176 5.723 1.600 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.452 5.862 3.250 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.775 5.999 2.889 1.00 0.00 C ATOM 401 OH TYR A 32 -11.698 6.418 3.820 1.00 0.00 O ATOM 0 H TYR A 32 -8.874 5.775 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.951 6.646 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.323 3.953 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.035 4.271 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.562 5.096 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.488 5.343 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.214 5.828 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.141 6.076 4.262 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.251 6.568 4.679 1.00 0.00 H new ATOM 411 N ASP A 33 -5.018 5.516 -1.373 1.00 0.00 N ATOM 412 CA ASP A 33 -3.851 5.073 -2.122 1.00 0.00 C ATOM 413 C ASP A 33 -3.289 3.817 -1.478 1.00 0.00 C ATOM 414 O ASP A 33 -2.978 3.812 -0.284 1.00 0.00 O ATOM 415 CB ASP A 33 -2.791 6.175 -2.145 1.00 0.00 C ATOM 416 CG ASP A 33 -2.170 6.351 -3.513 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.774 7.052 -4.353 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.077 5.801 -3.750 1.00 0.00 O ATOM 0 H ASP A 33 -4.798 5.962 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.142 4.853 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.242 7.116 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.010 5.939 -1.422 1.00 0.00 H new ATOM 423 N VAL A 34 -3.181 2.745 -2.256 1.00 0.00 N ATOM 424 CA VAL A 34 -2.677 1.479 -1.739 1.00 0.00 C ATOM 425 C VAL A 34 -1.562 0.916 -2.617 1.00 0.00 C ATOM 426 O VAL A 34 -1.749 0.701 -3.820 1.00 0.00 O ATOM 427 CB VAL A 34 -3.798 0.416 -1.639 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.343 -0.767 -0.798 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.078 1.012 -1.073 1.00 0.00 C ATOM 0 H VAL A 34 -3.435 2.728 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.287 1.694 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.011 0.063 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.145 -1.502 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.465 -1.223 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.092 -0.425 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.845 0.239 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.886 1.407 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.422 1.818 -1.722 1.00 0.00 H new ATOM 439 N GLY A 35 -0.402 0.692 -2.011 1.00 0.00 N ATOM 440 CA GLY A 35 0.722 0.126 -2.724 1.00 0.00 C ATOM 441 C GLY A 35 1.648 -0.606 -1.777 1.00 0.00 C ATOM 442 O GLY A 35 1.459 -0.548 -0.563 1.00 0.00 O ATOM 0 H GLY A 35 -0.221 0.896 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.363 -0.560 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.270 0.918 -3.235 1.00 0.00 H new ATOM 446 N GLN A 36 2.632 -1.313 -2.310 1.00 0.00 N ATOM 447 CA GLN A 36 3.574 -2.024 -1.458 1.00 0.00 C ATOM 448 C GLN A 36 4.695 -1.074 -1.067 1.00 0.00 C ATOM 449 O GLN A 36 5.384 -0.521 -1.923 1.00 0.00 O ATOM 450 CB GLN A 36 4.133 -3.278 -2.147 1.00 0.00 C ATOM 451 CG GLN A 36 4.871 -2.997 -3.444 1.00 0.00 C ATOM 452 CD GLN A 36 5.741 -4.153 -3.898 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.875 -4.399 -5.091 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.357 -4.853 -2.956 1.00 0.00 N ATOM 0 H GLN A 36 2.799 -1.410 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 36 3.052 -2.366 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.809 -3.786 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.311 -3.964 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.146 -2.768 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.493 -2.111 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.220 -4.617 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.968 -5.628 -3.214 1.00 0.00 H new ATOM 463 N CYS A 37 4.857 -0.861 0.222 1.00 0.00 N ATOM 464 CA CYS A 37 5.875 0.045 0.716 1.00 0.00 C ATOM 465 C CYS A 37 6.830 -0.686 1.643 1.00 0.00 C ATOM 466 O CYS A 37 6.427 -1.594 2.358 1.00 0.00 O ATOM 467 CB CYS A 37 5.214 1.211 1.452 1.00 0.00 C ATOM 468 SG CYS A 37 3.548 1.627 0.832 1.00 0.00 S ATOM 0 H CYS A 37 4.295 -1.304 0.949 1.00 0.00 H new ATOM 0 HA CYS A 37 6.444 0.432 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.146 0.967 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.853 2.090 1.367 1.00 0.00 H new ATOM 473 N ALA A 38 8.094 -0.317 1.614 1.00 0.00 N ATOM 474 CA ALA A 38 9.072 -0.958 2.472 1.00 0.00 C ATOM 475 C ALA A 38 9.856 0.075 3.262 1.00 0.00 C ATOM 476 O ALA A 38 9.819 1.268 2.947 1.00 0.00 O ATOM 477 CB ALA A 38 10.009 -1.832 1.658 1.00 0.00 C ATOM 0 H ALA A 38 8.467 0.417 1.012 1.00 0.00 H new ATOM 0 HA ALA A 38 8.538 -1.593 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.735 -2.303 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.434 -2.602 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.532 -1.219 0.924 1.00 0.00 H new ATOM 483 N TRP A 39 10.551 -0.389 4.287 1.00 0.00 N ATOM 484 CA TRP A 39 11.351 0.476 5.138 1.00 0.00 C ATOM 485 C TRP A 39 12.573 0.978 4.378 1.00 0.00 C ATOM 486 O TRP A 39 13.556 0.253 4.210 1.00 0.00 O ATOM 487 CB TRP A 39 11.781 -0.293 6.386 1.00 0.00 C ATOM 488 CG TRP A 39 11.692 0.506 7.646 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.554 0.901 8.283 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.784 0.999 8.428 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.871 1.617 9.410 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.235 1.690 9.522 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.175 0.926 8.307 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.028 2.301 10.492 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.960 1.534 9.270 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.385 2.213 10.348 1.00 0.00 C ATOM 0 H TRP A 39 10.577 -1.374 4.552 1.00 0.00 H new ATOM 0 HA TRP A 39 10.754 1.338 5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.159 -1.182 6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.808 -0.635 6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.550 0.683 7.950 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.200 2.028 10.059 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.628 0.404 7.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.587 2.825 11.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.036 1.483 9.188 1.00 0.00 H new ATOM 0 HH2 TRP A 39 15.026 2.678 11.083 1.00 0.00 H new ATOM 507 N VAL A 40 12.512 2.216 3.913 1.00 0.00 N ATOM 508 CA VAL A 40 13.615 2.789 3.156 1.00 0.00 C ATOM 509 C VAL A 40 14.487 3.690 4.034 1.00 0.00 C ATOM 510 O VAL A 40 15.648 3.951 3.711 1.00 0.00 O ATOM 511 CB VAL A 40 13.101 3.565 1.918 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.522 4.918 2.303 1.00 0.00 C ATOM 513 CG2 VAL A 40 14.204 3.717 0.881 1.00 0.00 C ATOM 0 H VAL A 40 11.716 2.840 4.045 1.00 0.00 H new ATOM 0 HA VAL A 40 14.233 1.962 2.806 1.00 0.00 H new ATOM 0 HB VAL A 40 12.294 2.982 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.172 5.432 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.687 4.775 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.291 5.518 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.821 4.265 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.040 4.264 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.542 2.731 0.562 1.00 0.00 H new ATOM 523 N ASP A 41 13.929 4.149 5.147 1.00 0.00 N ATOM 524 CA ASP A 41 14.649 5.014 6.073 1.00 0.00 C ATOM 525 C ASP A 41 13.998 4.950 7.446 1.00 0.00 C ATOM 526 O ASP A 41 12.971 4.296 7.619 1.00 0.00 O ATOM 527 CB ASP A 41 14.656 6.462 5.570 1.00 0.00 C ATOM 528 CG ASP A 41 15.914 7.220 5.958 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.227 7.297 7.164 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.589 7.754 5.056 1.00 0.00 O ATOM 0 H ASP A 41 12.973 3.935 5.432 1.00 0.00 H new ATOM 0 HA ASP A 41 15.680 4.667 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.558 6.464 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.786 6.984 5.970 1.00 0.00 H new ATOM 535 N THR A 42 14.586 5.640 8.410 1.00 0.00 N ATOM 536 CA THR A 42 14.069 5.665 9.768 1.00 0.00 C ATOM 537 C THR A 42 12.772 6.467 9.845 1.00 0.00 C ATOM 538 O THR A 42 12.789 7.697 9.866 1.00 0.00 O ATOM 539 CB THR A 42 15.104 6.267 10.737 1.00 0.00 C ATOM 540 OG1 THR A 42 16.410 5.757 10.432 1.00 0.00 O ATOM 541 CG2 THR A 42 14.752 5.941 12.182 1.00 0.00 C ATOM 0 H THR A 42 15.431 6.196 8.274 1.00 0.00 H new ATOM 0 HA THR A 42 13.865 4.635 10.060 1.00 0.00 H new ATOM 0 HB THR A 42 15.096 7.350 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.065 6.144 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.498 6.378 12.846 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.771 6.352 12.419 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.734 4.860 12.317 1.00 0.00 H new ATOM 549 N GLY A 43 11.648 5.763 9.857 1.00 0.00 N ATOM 550 CA GLY A 43 10.355 6.418 9.932 1.00 0.00 C ATOM 551 C GLY A 43 9.800 6.766 8.566 1.00 0.00 C ATOM 552 O GLY A 43 8.639 7.151 8.440 1.00 0.00 O ATOM 0 H GLY A 43 11.608 4.745 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.651 5.767 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.446 7.327 10.526 1.00 0.00 H new ATOM 556 N VAL A 44 10.625 6.621 7.541 1.00 0.00 N ATOM 557 CA VAL A 44 10.205 6.930 6.183 1.00 0.00 C ATOM 558 C VAL A 44 10.135 5.660 5.347 1.00 0.00 C ATOM 559 O VAL A 44 11.092 4.885 5.286 1.00 0.00 O ATOM 560 CB VAL A 44 11.159 7.938 5.498 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.559 8.460 4.198 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.499 9.089 6.434 1.00 0.00 C ATOM 0 H VAL A 44 11.587 6.292 7.623 1.00 0.00 H new ATOM 0 HA VAL A 44 9.217 7.385 6.250 1.00 0.00 H new ATOM 0 HB VAL A 44 12.083 7.412 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.249 9.166 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.384 7.627 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.614 8.961 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.171 9.783 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.584 9.610 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.986 8.699 7.328 1.00 0.00 H new ATOM 572 N LEU A 45 8.995 5.446 4.719 1.00 0.00 N ATOM 573 CA LEU A 45 8.789 4.281 3.875 1.00 0.00 C ATOM 574 C LEU A 45 8.438 4.743 2.469 1.00 0.00 C ATOM 575 O LEU A 45 8.106 5.908 2.270 1.00 0.00 O ATOM 576 CB LEU A 45 7.682 3.387 4.445 1.00 0.00 C ATOM 577 CG LEU A 45 7.979 2.788 5.822 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.370 3.641 6.927 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.463 1.362 5.907 1.00 0.00 C ATOM 0 H LEU A 45 8.189 6.069 4.777 1.00 0.00 H new ATOM 0 HA LEU A 45 9.705 3.691 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.763 3.969 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.496 2.573 3.744 1.00 0.00 H new ATOM 0 HG LEU A 45 9.060 2.773 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.594 3.195 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.790 4.646 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.290 3.693 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.684 0.953 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.385 1.355 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.949 0.753 5.145 1.00 0.00 H new ATOM 591 N ALA A 46 8.509 3.845 1.499 1.00 0.00 N ATOM 592 CA ALA A 46 8.209 4.210 0.120 1.00 0.00 C ATOM 593 C ALA A 46 7.515 3.066 -0.613 1.00 0.00 C ATOM 594 O ALA A 46 7.885 1.905 -0.441 1.00 0.00 O ATOM 595 CB ALA A 46 9.491 4.609 -0.592 1.00 0.00 C ATOM 0 H ALA A 46 8.769 2.868 1.636 1.00 0.00 H new ATOM 0 HA ALA A 46 7.525 5.059 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.265 4.882 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.941 5.461 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.188 3.771 -0.583 1.00 0.00 H new ATOM 601 N CYS A 47 6.515 3.402 -1.426 1.00 0.00 N ATOM 602 CA CYS A 47 5.757 2.403 -2.184 1.00 0.00 C ATOM 603 C CYS A 47 6.052 2.498 -3.675 1.00 0.00 C ATOM 604 O CYS A 47 6.781 3.385 -4.111 1.00 0.00 O ATOM 605 CB CYS A 47 4.257 2.592 -1.960 1.00 0.00 C ATOM 606 SG CYS A 47 3.830 3.268 -0.329 1.00 0.00 S ATOM 0 H CYS A 47 6.208 4.363 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 47 6.063 1.420 -1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.866 3.257 -2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.758 1.631 -2.085 1.00 0.00 H new ATOM 611 N ASN A 48 5.462 1.592 -4.451 1.00 0.00 N ATOM 612 CA ASN A 48 5.657 1.565 -5.897 1.00 0.00 C ATOM 613 C ASN A 48 4.451 2.146 -6.644 1.00 0.00 C ATOM 614 O ASN A 48 3.379 1.542 -6.702 1.00 0.00 O ATOM 615 CB ASN A 48 5.944 0.131 -6.380 1.00 0.00 C ATOM 616 CG ASN A 48 4.809 -0.846 -6.110 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.029 -0.680 -5.169 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.713 -1.882 -6.930 1.00 0.00 N ATOM 0 H ASN A 48 4.841 0.863 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 48 6.520 2.192 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.146 0.152 -7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.848 -0.233 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.976 -2.574 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.376 -1.988 -7.698 1.00 0.00 H new ATOM 625 N PRO A 49 4.604 3.342 -7.229 1.00 0.00 N ATOM 626 CA PRO A 49 3.530 3.993 -7.982 1.00 0.00 C ATOM 627 C PRO A 49 3.331 3.362 -9.358 1.00 0.00 C ATOM 628 O PRO A 49 2.400 3.705 -10.084 1.00 0.00 O ATOM 629 CB PRO A 49 4.026 5.431 -8.120 1.00 0.00 C ATOM 630 CG PRO A 49 5.507 5.304 -8.125 1.00 0.00 C ATOM 631 CD PRO A 49 5.823 4.170 -7.187 1.00 0.00 C ATOM 0 HA PRO A 49 2.564 3.906 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.662 5.892 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.682 6.053 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.879 5.097 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.980 6.229 -7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.700 3.611 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.031 4.528 -6.179 1.00 0.00 H new ATOM 639 N ALA A 50 4.212 2.436 -9.710 1.00 0.00 N ATOM 640 CA ALA A 50 4.139 1.762 -11.000 1.00 0.00 C ATOM 641 C ALA A 50 3.103 0.643 -10.995 1.00 0.00 C ATOM 642 O ALA A 50 2.598 0.252 -12.047 1.00 0.00 O ATOM 643 CB ALA A 50 5.503 1.208 -11.377 1.00 0.00 C ATOM 0 H ALA A 50 4.987 2.134 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 50 3.828 2.498 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.438 0.706 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.222 2.024 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.828 0.495 -10.619 1.00 0.00 H new ATOM 649 N ASP A 51 2.781 0.129 -9.811 1.00 0.00 N ATOM 650 CA ASP A 51 1.812 -0.958 -9.707 1.00 0.00 C ATOM 651 C ASP A 51 0.749 -0.673 -8.656 1.00 0.00 C ATOM 652 O ASP A 51 -0.044 -1.553 -8.323 1.00 0.00 O ATOM 653 CB ASP A 51 2.510 -2.277 -9.365 1.00 0.00 C ATOM 654 CG ASP A 51 3.125 -2.957 -10.570 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.373 -3.411 -11.460 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.365 -3.067 -10.625 1.00 0.00 O ATOM 0 H ASP A 51 3.170 0.442 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 51 1.326 -1.039 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.289 -2.087 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.790 -2.952 -8.903 1.00 0.00 H new ATOM 661 N PHE A 52 0.723 0.547 -8.132 1.00 0.00 N ATOM 662 CA PHE A 52 -0.261 0.907 -7.116 1.00 0.00 C ATOM 663 C PHE A 52 -1.647 1.021 -7.746 1.00 0.00 C ATOM 664 O PHE A 52 -1.776 1.287 -8.946 1.00 0.00 O ATOM 665 CB PHE A 52 0.128 2.215 -6.407 1.00 0.00 C ATOM 666 CG PHE A 52 -0.469 3.455 -7.006 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.089 4.034 -8.128 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.586 4.041 -6.439 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.451 5.178 -8.676 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.134 5.186 -6.981 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.564 5.756 -8.102 1.00 0.00 C ATOM 0 H PHE A 52 1.364 1.297 -8.390 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.283 0.119 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.176 2.150 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.214 2.309 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.960 3.585 -8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.035 3.598 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.003 5.621 -9.553 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.006 5.635 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.989 6.653 -8.529 1.00 0.00 H new ATOM 681 N SER A 53 -2.675 0.818 -6.943 1.00 0.00 N ATOM 682 CA SER A 53 -4.040 0.890 -7.429 1.00 0.00 C ATOM 683 C SER A 53 -4.802 2.016 -6.735 1.00 0.00 C ATOM 684 O SER A 53 -4.792 2.120 -5.507 1.00 0.00 O ATOM 685 CB SER A 53 -4.738 -0.451 -7.204 1.00 0.00 C ATOM 686 OG SER A 53 -3.997 -1.516 -7.786 1.00 0.00 O ATOM 0 H SER A 53 -2.590 0.602 -5.950 1.00 0.00 H new ATOM 0 HA SER A 53 -4.023 1.106 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.857 -0.628 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.738 -0.421 -7.636 1.00 0.00 H new ATOM 0 HG SER A 53 -4.218 -2.355 -7.330 1.00 0.00 H new ATOM 692 N SER A 54 -5.441 2.864 -7.528 1.00 0.00 N ATOM 693 CA SER A 54 -6.214 3.974 -6.994 1.00 0.00 C ATOM 694 C SER A 54 -7.633 3.510 -6.682 1.00 0.00 C ATOM 695 O SER A 54 -8.439 3.290 -7.589 1.00 0.00 O ATOM 696 CB SER A 54 -6.246 5.128 -8.000 1.00 0.00 C ATOM 697 OG SER A 54 -4.951 5.405 -8.512 1.00 0.00 O ATOM 0 H SER A 54 -5.439 2.803 -8.546 1.00 0.00 H new ATOM 0 HA SER A 54 -5.744 4.326 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.918 4.878 -8.821 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.648 6.020 -7.520 1.00 0.00 H new ATOM 0 HG SER A 54 -4.277 5.174 -7.839 1.00 0.00 H new ATOM 703 N VAL A 55 -7.936 3.344 -5.404 1.00 0.00 N ATOM 704 CA VAL A 55 -9.253 2.889 -4.994 1.00 0.00 C ATOM 705 C VAL A 55 -10.021 4.016 -4.306 1.00 0.00 C ATOM 706 O VAL A 55 -9.424 4.931 -3.741 1.00 0.00 O ATOM 707 CB VAL A 55 -9.151 1.658 -4.057 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.680 2.053 -2.664 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.479 0.917 -3.983 1.00 0.00 C ATOM 0 H VAL A 55 -7.289 3.517 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.798 2.591 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.406 0.986 -4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.620 1.165 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.696 2.517 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.386 2.760 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.380 0.058 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.248 1.586 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.761 0.575 -4.979 1.00 0.00 H new ATOM 719 N THR A 56 -11.340 3.958 -4.371 1.00 0.00 N ATOM 720 CA THR A 56 -12.175 4.969 -3.749 1.00 0.00 C ATOM 721 C THR A 56 -13.279 4.308 -2.934 1.00 0.00 C ATOM 722 O THR A 56 -13.684 3.182 -3.228 1.00 0.00 O ATOM 723 CB THR A 56 -12.779 5.921 -4.809 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.480 7.001 -4.181 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.716 5.177 -5.746 1.00 0.00 C ATOM 0 H THR A 56 -11.856 3.220 -4.849 1.00 0.00 H new ATOM 0 HA THR A 56 -11.552 5.564 -3.081 1.00 0.00 H new ATOM 0 HB THR A 56 -11.953 6.326 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.853 7.592 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.125 5.872 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.166 4.389 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.530 4.736 -5.171 1.00 0.00 H new ATOM 733 N ALA A 57 -13.741 4.991 -1.896 1.00 0.00 N ATOM 734 CA ALA A 57 -14.794 4.454 -1.049 1.00 0.00 C ATOM 735 C ALA A 57 -16.147 4.579 -1.732 1.00 0.00 C ATOM 736 O ALA A 57 -16.552 5.672 -2.142 1.00 0.00 O ATOM 737 CB ALA A 57 -14.808 5.156 0.298 1.00 0.00 C ATOM 0 H ALA A 57 -13.404 5.914 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.592 3.396 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.603 4.740 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.848 5.011 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.983 6.222 0.151 1.00 0.00 H new ATOM 743 N ASP A 58 -16.842 3.458 -1.852 1.00 0.00 N ATOM 744 CA ASP A 58 -18.150 3.424 -2.498 1.00 0.00 C ATOM 745 C ASP A 58 -19.232 3.990 -1.576 1.00 0.00 C ATOM 746 O ASP A 58 -18.939 4.476 -0.481 1.00 0.00 O ATOM 747 CB ASP A 58 -18.496 1.985 -2.913 1.00 0.00 C ATOM 748 CG ASP A 58 -19.028 1.154 -1.763 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.428 1.182 -0.672 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.056 0.471 -1.940 1.00 0.00 O ATOM 0 H ASP A 58 -16.521 2.553 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.109 4.049 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.238 2.010 -3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.606 1.505 -3.321 1.00 0.00 H new ATOM 755 N ALA A 59 -20.481 3.922 -2.024 1.00 0.00 N ATOM 756 CA ALA A 59 -21.614 4.425 -1.256 1.00 0.00 C ATOM 757 C ALA A 59 -21.772 3.679 0.069 1.00 0.00 C ATOM 758 O ALA A 59 -22.382 4.187 1.011 1.00 0.00 O ATOM 759 CB ALA A 59 -22.889 4.308 -2.076 1.00 0.00 C ATOM 0 H ALA A 59 -20.736 3.519 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.424 5.473 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.731 4.686 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.788 4.892 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.063 3.263 -2.330 1.00 0.00 H new ATOM 765 N ASN A 60 -21.219 2.477 0.142 1.00 0.00 N ATOM 766 CA ASN A 60 -21.306 1.672 1.352 1.00 0.00 C ATOM 767 C ASN A 60 -20.128 1.949 2.274 1.00 0.00 C ATOM 768 O ASN A 60 -20.005 1.342 3.337 1.00 0.00 O ATOM 769 CB ASN A 60 -21.356 0.183 1.007 1.00 0.00 C ATOM 770 CG ASN A 60 -22.615 -0.203 0.259 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.636 -0.523 0.869 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.552 -0.187 -1.065 1.00 0.00 N ATOM 0 H ASN A 60 -20.705 2.038 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.226 1.946 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.486 -0.075 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.291 -0.401 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.369 -0.446 -1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.686 0.084 -1.531 1.00 0.00 H new ATOM 779 N GLY A 61 -19.257 2.861 1.856 1.00 0.00 N ATOM 780 CA GLY A 61 -18.099 3.207 2.658 1.00 0.00 C ATOM 781 C GLY A 61 -17.051 2.113 2.660 1.00 0.00 C ATOM 782 O GLY A 61 -16.366 1.898 3.659 1.00 0.00 O ATOM 0 H GLY A 61 -19.333 3.368 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.658 4.128 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.416 3.405 3.682 1.00 0.00 H new ATOM 786 N SER A 62 -16.934 1.412 1.547 1.00 0.00 N ATOM 787 CA SER A 62 -15.965 0.339 1.429 1.00 0.00 C ATOM 788 C SER A 62 -15.007 0.604 0.272 1.00 0.00 C ATOM 789 O SER A 62 -15.381 1.212 -0.735 1.00 0.00 O ATOM 790 CB SER A 62 -16.686 -0.998 1.231 1.00 0.00 C ATOM 791 OG SER A 62 -18.076 -0.801 1.008 1.00 0.00 O ATOM 0 H SER A 62 -17.499 1.567 0.712 1.00 0.00 H new ATOM 0 HA SER A 62 -15.382 0.293 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.250 -1.528 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.541 -1.627 2.109 1.00 0.00 H new ATOM 0 HG SER A 62 -18.207 -0.317 0.166 1.00 0.00 H new ATOM 797 N ALA A 63 -13.771 0.173 0.438 1.00 0.00 N ATOM 798 CA ALA A 63 -12.755 0.344 -0.583 1.00 0.00 C ATOM 799 C ALA A 63 -11.925 -0.926 -0.713 1.00 0.00 C ATOM 800 O ALA A 63 -11.095 -1.226 0.145 1.00 0.00 O ATOM 801 CB ALA A 63 -11.871 1.541 -0.262 1.00 0.00 C ATOM 0 H ALA A 63 -13.444 -0.303 1.279 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.245 0.535 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.115 1.654 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.482 2.443 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.383 1.385 0.700 1.00 0.00 H new ATOM 807 N SER A 64 -12.179 -1.682 -1.769 1.00 0.00 N ATOM 808 CA SER A 64 -11.458 -2.920 -2.011 1.00 0.00 C ATOM 809 C SER A 64 -10.697 -2.838 -3.330 1.00 0.00 C ATOM 810 O SER A 64 -11.219 -2.337 -4.327 1.00 0.00 O ATOM 811 CB SER A 64 -12.434 -4.100 -2.024 1.00 0.00 C ATOM 812 OG SER A 64 -13.570 -3.819 -1.220 1.00 0.00 O ATOM 0 H SER A 64 -12.881 -1.458 -2.474 1.00 0.00 H new ATOM 0 HA SER A 64 -10.737 -3.074 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.748 -4.307 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.934 -4.996 -1.656 1.00 0.00 H new ATOM 0 HG SER A 64 -14.183 -4.583 -1.242 1.00 0.00 H new ATOM 818 N THR A 65 -9.460 -3.312 -3.325 1.00 0.00 N ATOM 819 CA THR A 65 -8.634 -3.286 -4.515 1.00 0.00 C ATOM 820 C THR A 65 -7.600 -4.409 -4.480 1.00 0.00 C ATOM 821 O THR A 65 -7.434 -5.085 -3.461 1.00 0.00 O ATOM 822 CB THR A 65 -7.930 -1.916 -4.667 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.574 -1.694 -6.036 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.684 -1.819 -3.792 1.00 0.00 C ATOM 0 H THR A 65 -9.008 -3.720 -2.506 1.00 0.00 H new ATOM 0 HA THR A 65 -9.283 -3.438 -5.377 1.00 0.00 H new ATOM 0 HB THR A 65 -8.632 -1.149 -4.340 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.278 -0.767 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.219 -0.842 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.963 -1.946 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.978 -2.599 -4.076 1.00 0.00 H new ATOM 832 N SER A 66 -6.920 -4.611 -5.597 1.00 0.00 N ATOM 833 CA SER A 66 -5.904 -5.641 -5.702 1.00 0.00 C ATOM 834 C SER A 66 -4.538 -5.015 -5.967 1.00 0.00 C ATOM 835 O SER A 66 -4.434 -4.018 -6.686 1.00 0.00 O ATOM 836 CB SER A 66 -6.271 -6.615 -6.820 1.00 0.00 C ATOM 837 OG SER A 66 -7.534 -7.218 -6.573 1.00 0.00 O ATOM 0 H SER A 66 -7.057 -4.069 -6.450 1.00 0.00 H new ATOM 0 HA SER A 66 -5.853 -6.187 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.296 -6.088 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.505 -7.386 -6.902 1.00 0.00 H new ATOM 0 HG SER A 66 -7.749 -7.836 -7.302 1.00 0.00 H new ATOM 843 N LEU A 67 -3.502 -5.593 -5.375 1.00 0.00 N ATOM 844 CA LEU A 67 -2.146 -5.089 -5.541 1.00 0.00 C ATOM 845 C LEU A 67 -1.201 -6.189 -6.015 1.00 0.00 C ATOM 846 O LEU A 67 -1.265 -7.317 -5.533 1.00 0.00 O ATOM 847 CB LEU A 67 -1.628 -4.521 -4.212 1.00 0.00 C ATOM 848 CG LEU A 67 -1.564 -2.996 -4.119 1.00 0.00 C ATOM 849 CD1 LEU A 67 -0.689 -2.430 -5.222 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.959 -2.396 -4.177 1.00 0.00 C ATOM 0 H LEU A 67 -3.575 -6.414 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.175 -4.303 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.266 -4.889 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.629 -4.919 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.119 -2.730 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.656 -1.344 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.320 -2.832 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.101 -2.707 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.891 -1.310 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.435 -2.672 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.553 -2.775 -3.345 1.00 0.00 H new ATOM 862 N THR A 68 -0.340 -5.860 -6.966 1.00 0.00 N ATOM 863 CA THR A 68 0.637 -6.816 -7.471 1.00 0.00 C ATOM 864 C THR A 68 1.997 -6.544 -6.826 1.00 0.00 C ATOM 865 O THR A 68 2.652 -5.545 -7.127 1.00 0.00 O ATOM 866 CB THR A 68 0.765 -6.747 -9.010 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.535 -6.819 -9.616 1.00 0.00 O ATOM 868 CG2 THR A 68 1.631 -7.882 -9.536 1.00 0.00 C ATOM 0 H THR A 68 -0.297 -4.940 -7.404 1.00 0.00 H new ATOM 0 HA THR A 68 0.293 -7.817 -7.212 1.00 0.00 H new ATOM 0 HB THR A 68 1.237 -5.799 -9.267 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.445 -6.773 -10.591 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.705 -7.810 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.627 -7.812 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.182 -8.838 -9.265 1.00 0.00 H new ATOM 876 N VAL A 69 2.407 -7.428 -5.927 1.00 0.00 N ATOM 877 CA VAL A 69 3.672 -7.269 -5.222 1.00 0.00 C ATOM 878 C VAL A 69 4.855 -7.707 -6.085 1.00 0.00 C ATOM 879 O VAL A 69 4.849 -8.791 -6.667 1.00 0.00 O ATOM 880 CB VAL A 69 3.670 -8.055 -3.886 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.345 -9.528 -4.110 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.999 -7.897 -3.166 1.00 0.00 C ATOM 0 H VAL A 69 1.882 -8.263 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 69 3.784 -6.207 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 69 2.887 -7.636 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.351 -10.051 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.359 -9.618 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.092 -9.969 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.975 -8.457 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.802 -8.278 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.174 -6.842 -2.953 1.00 0.00 H new ATOM 892 N ARG A 70 5.851 -6.836 -6.178 1.00 0.00 N ATOM 893 CA ARG A 70 7.058 -7.108 -6.950 1.00 0.00 C ATOM 894 C ARG A 70 8.213 -7.425 -6.003 1.00 0.00 C ATOM 895 O ARG A 70 8.149 -7.114 -4.813 1.00 0.00 O ATOM 896 CB ARG A 70 7.430 -5.900 -7.817 1.00 0.00 C ATOM 897 CG ARG A 70 6.286 -5.360 -8.659 1.00 0.00 C ATOM 898 CD ARG A 70 5.950 -6.284 -9.819 1.00 0.00 C ATOM 899 NE ARG A 70 4.870 -5.748 -10.645 1.00 0.00 N ATOM 900 CZ ARG A 70 4.264 -6.422 -11.619 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.652 -7.651 -11.928 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.260 -5.861 -12.282 1.00 0.00 N ATOM 0 H ARG A 70 5.846 -5.923 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 70 6.867 -7.962 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.798 -5.103 -7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.251 -6.180 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.404 -5.229 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.552 -4.376 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.838 -6.433 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.661 -7.262 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 70 4.560 -4.793 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.420 -8.087 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.182 -8.161 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.956 -4.917 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.793 -6.374 -13.029 1.00 0.00 H new ATOM 916 N ARG A 71 9.267 -8.035 -6.527 1.00 0.00 N ATOM 917 CA ARG A 71 10.430 -8.377 -5.717 1.00 0.00 C ATOM 918 C ARG A 71 11.365 -7.172 -5.599 1.00 0.00 C ATOM 919 O ARG A 71 12.199 -7.094 -4.699 1.00 0.00 O ATOM 920 CB ARG A 71 11.170 -9.574 -6.324 1.00 0.00 C ATOM 921 CG ARG A 71 11.965 -10.382 -5.311 1.00 0.00 C ATOM 922 CD ARG A 71 11.055 -11.223 -4.426 1.00 0.00 C ATOM 923 NE ARG A 71 10.562 -12.412 -5.119 1.00 0.00 N ATOM 924 CZ ARG A 71 10.408 -13.600 -4.541 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.701 -13.768 -3.260 1.00 0.00 N ATOM 926 NH2 ARG A 71 9.943 -14.619 -5.243 1.00 0.00 N ATOM 0 H ARG A 71 9.342 -8.303 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 71 10.092 -8.653 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.446 -10.229 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.846 -9.216 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.667 -11.032 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.556 -9.708 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.598 -11.525 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.210 -10.619 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 71 10.321 -12.325 -6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.048 -12.983 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.580 -14.683 -2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.703 -14.494 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.824 -15.531 -4.801 1.00 0.00 H new ATOM 940 N SER A 72 11.230 -6.245 -6.531 1.00 0.00 N ATOM 941 CA SER A 72 12.032 -5.029 -6.536 1.00 0.00 C ATOM 942 C SER A 72 11.243 -3.910 -7.198 1.00 0.00 C ATOM 943 O SER A 72 10.585 -4.132 -8.214 1.00 0.00 O ATOM 944 CB SER A 72 13.357 -5.261 -7.270 1.00 0.00 C ATOM 945 OG SER A 72 14.089 -6.324 -6.676 1.00 0.00 O ATOM 0 H SER A 72 10.566 -6.311 -7.303 1.00 0.00 H new ATOM 0 HA SER A 72 12.263 -4.747 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.161 -5.490 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.953 -4.348 -7.249 1.00 0.00 H new ATOM 0 HG SER A 72 14.930 -6.454 -7.162 1.00 0.00 H new ATOM 951 N PHE A 73 11.290 -2.714 -6.629 1.00 0.00 N ATOM 952 CA PHE A 73 10.539 -1.597 -7.183 1.00 0.00 C ATOM 953 C PHE A 73 11.156 -0.262 -6.797 1.00 0.00 C ATOM 954 O PHE A 73 12.090 -0.199 -6.000 1.00 0.00 O ATOM 955 CB PHE A 73 9.087 -1.652 -6.685 1.00 0.00 C ATOM 956 CG PHE A 73 8.962 -1.616 -5.180 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.042 -2.782 -4.438 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.769 -0.416 -4.513 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.932 -2.754 -3.061 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.657 -0.382 -3.136 1.00 0.00 C ATOM 961 CZ PHE A 73 8.738 -1.554 -2.409 1.00 0.00 C ATOM 0 H PHE A 73 11.833 -2.493 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 73 10.566 -1.682 -8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.535 -0.812 -7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.618 -2.562 -7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.192 -3.725 -4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.705 0.503 -5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.998 -3.672 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.506 0.560 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.650 -1.531 -1.333 1.00 0.00 H new ATOM 971 N GLU A 74 10.627 0.797 -7.381 1.00 0.00 N ATOM 972 CA GLU A 74 11.077 2.143 -7.089 1.00 0.00 C ATOM 973 C GLU A 74 10.181 2.729 -6.009 1.00 0.00 C ATOM 974 O GLU A 74 8.963 2.798 -6.180 1.00 0.00 O ATOM 975 CB GLU A 74 11.026 3.023 -8.341 1.00 0.00 C ATOM 976 CG GLU A 74 12.380 3.230 -9.000 1.00 0.00 C ATOM 977 CD GLU A 74 12.958 1.955 -9.570 1.00 0.00 C ATOM 978 OE1 GLU A 74 12.292 1.321 -10.411 1.00 0.00 O ATOM 979 OE2 GLU A 74 14.091 1.588 -9.186 1.00 0.00 O ATOM 0 H GLU A 74 9.876 0.748 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 74 12.111 2.109 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.346 2.572 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.610 3.994 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.281 3.967 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.075 3.643 -8.269 1.00 0.00 H new ATOM 986 N GLY A 75 10.781 3.122 -4.899 1.00 0.00 N ATOM 987 CA GLY A 75 10.024 3.680 -3.803 1.00 0.00 C ATOM 988 C GLY A 75 9.723 5.152 -3.986 1.00 0.00 C ATOM 989 O GLY A 75 10.614 5.944 -4.320 1.00 0.00 O ATOM 0 H GLY A 75 11.786 3.064 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.087 3.133 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.579 3.540 -2.876 1.00 0.00 H new ATOM 993 N PHE A 76 8.471 5.518 -3.758 1.00 0.00 N ATOM 994 CA PHE A 76 8.032 6.895 -3.892 1.00 0.00 C ATOM 995 C PHE A 76 7.314 7.321 -2.626 1.00 0.00 C ATOM 996 O PHE A 76 6.780 6.481 -1.897 1.00 0.00 O ATOM 997 CB PHE A 76 7.085 7.046 -5.083 1.00 0.00 C ATOM 998 CG PHE A 76 7.761 7.220 -6.422 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.708 6.312 -6.876 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.428 8.289 -7.239 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.309 6.472 -8.112 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.024 8.449 -8.476 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.966 7.541 -8.912 1.00 0.00 C ATOM 0 H PHE A 76 7.735 4.871 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 76 8.907 7.525 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.442 6.167 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.438 7.905 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.979 5.470 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.693 9.006 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.047 5.759 -8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.752 9.286 -9.102 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.434 7.667 -9.877 1.00 0.00 H new ATOM 1013 N LEU A 77 7.316 8.613 -2.358 1.00 0.00 N ATOM 1014 CA LEU A 77 6.653 9.144 -1.187 1.00 0.00 C ATOM 1015 C LEU A 77 5.179 9.372 -1.489 1.00 0.00 C ATOM 1016 O LEU A 77 4.774 9.392 -2.651 1.00 0.00 O ATOM 1017 CB LEU A 77 7.325 10.443 -0.736 1.00 0.00 C ATOM 1018 CG LEU A 77 8.832 10.334 -0.480 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.402 11.680 -0.072 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.114 9.292 0.592 1.00 0.00 C ATOM 0 H LEU A 77 7.772 9.316 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 77 6.734 8.423 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.154 11.206 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.840 10.788 0.177 1.00 0.00 H new ATOM 0 HG LEU A 77 9.316 10.021 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.473 11.583 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.230 12.404 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.912 12.021 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.189 9.227 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.617 9.579 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.739 8.322 0.265 1.00 0.00 H new ATOM 1032 N PHE A 78 4.386 9.566 -0.446 1.00 0.00 N ATOM 1033 CA PHE A 78 2.947 9.765 -0.590 1.00 0.00 C ATOM 1034 C PHE A 78 2.613 11.039 -1.367 1.00 0.00 C ATOM 1035 O PHE A 78 1.506 11.181 -1.890 1.00 0.00 O ATOM 1036 CB PHE A 78 2.283 9.801 0.788 1.00 0.00 C ATOM 1037 CG PHE A 78 0.854 9.346 0.766 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.542 8.023 0.495 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.176 10.239 1.005 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.771 7.601 0.465 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.491 9.824 0.973 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.789 8.502 0.702 1.00 0.00 C ATOM 0 H PHE A 78 4.716 9.590 0.519 1.00 0.00 H new ATOM 0 HA PHE A 78 2.558 8.924 -1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.848 9.170 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.328 10.817 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.335 7.315 0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.053 11.273 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.002 6.567 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.286 10.531 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.818 8.174 0.676 1.00 0.00 H new ATOM 1052 N ASP A 79 3.563 11.963 -1.445 1.00 0.00 N ATOM 1053 CA ASP A 79 3.340 13.211 -2.165 1.00 0.00 C ATOM 1054 C ASP A 79 3.636 13.034 -3.658 1.00 0.00 C ATOM 1055 O ASP A 79 3.170 13.814 -4.489 1.00 0.00 O ATOM 1056 CB ASP A 79 4.192 14.344 -1.573 1.00 0.00 C ATOM 1057 CG ASP A 79 5.455 14.609 -2.366 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.443 13.867 -2.176 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.467 15.555 -3.180 1.00 0.00 O ATOM 0 H ASP A 79 4.487 11.874 -1.023 1.00 0.00 H new ATOM 0 HA ASP A 79 2.290 13.484 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.597 15.256 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.460 14.092 -0.547 1.00 0.00 H new ATOM 1064 N GLY A 80 4.400 11.999 -3.996 1.00 0.00 N ATOM 1065 CA GLY A 80 4.728 11.746 -5.389 1.00 0.00 C ATOM 1066 C GLY A 80 6.220 11.800 -5.672 1.00 0.00 C ATOM 1067 O GLY A 80 6.667 11.369 -6.733 1.00 0.00 O ATOM 0 H GLY A 80 4.797 11.333 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.346 10.765 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.219 12.480 -6.014 1.00 0.00 H new ATOM 1071 N THR A 81 6.995 12.328 -4.732 1.00 0.00 N ATOM 1072 CA THR A 81 8.438 12.431 -4.909 1.00 0.00 C ATOM 1073 C THR A 81 9.111 11.068 -4.767 1.00 0.00 C ATOM 1074 O THR A 81 8.816 10.316 -3.839 1.00 0.00 O ATOM 1075 CB THR A 81 9.042 13.408 -3.886 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.271 14.617 -3.862 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.489 13.728 -4.223 1.00 0.00 C ATOM 0 H THR A 81 6.650 12.690 -3.843 1.00 0.00 H new ATOM 0 HA THR A 81 8.617 12.807 -5.916 1.00 0.00 H new ATOM 0 HB THR A 81 9.017 12.936 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.758 14.661 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.890 14.421 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.076 12.810 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.540 14.184 -5.212 1.00 0.00 H new ATOM 1085 N ARG A 82 10.004 10.750 -5.696 1.00 0.00 N ATOM 1086 CA ARG A 82 10.717 9.482 -5.665 1.00 0.00 C ATOM 1087 C ARG A 82 11.804 9.506 -4.599 1.00 0.00 C ATOM 1088 O ARG A 82 12.337 10.564 -4.263 1.00 0.00 O ATOM 1089 CB ARG A 82 11.329 9.172 -7.040 1.00 0.00 C ATOM 1090 CG ARG A 82 12.560 10.000 -7.390 1.00 0.00 C ATOM 1091 CD ARG A 82 13.826 9.153 -7.392 1.00 0.00 C ATOM 1092 NE ARG A 82 13.760 8.073 -8.375 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.706 7.153 -8.539 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.801 7.178 -7.788 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.564 6.209 -9.465 1.00 0.00 N ATOM 0 H ARG A 82 10.251 11.354 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 82 10.004 8.696 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.597 8.116 -7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.570 9.333 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.425 10.456 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.667 10.814 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.686 9.787 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.981 8.731 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 82 12.936 8.022 -8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.919 7.905 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.524 6.470 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.729 6.190 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.290 5.504 -9.590 1.00 0.00 H new ATOM 1109 N TRP A 83 12.115 8.341 -4.062 1.00 0.00 N ATOM 1110 CA TRP A 83 13.150 8.223 -3.049 1.00 0.00 C ATOM 1111 C TRP A 83 14.320 7.406 -3.590 1.00 0.00 C ATOM 1112 O TRP A 83 15.483 7.749 -3.386 1.00 0.00 O ATOM 1113 CB TRP A 83 12.590 7.569 -1.785 1.00 0.00 C ATOM 1114 CG TRP A 83 13.496 7.707 -0.596 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.518 6.875 -0.242 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.457 8.737 0.402 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.112 7.320 0.914 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.480 8.461 1.328 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.657 9.861 0.600 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.722 9.272 2.435 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.897 10.667 1.695 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.920 10.368 2.603 1.00 0.00 C ATOM 0 H TRP A 83 11.665 7.460 -4.311 1.00 0.00 H new ATOM 0 HA TRP A 83 13.503 9.222 -2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.623 8.015 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.414 6.511 -1.979 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.817 5.994 -0.791 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.897 6.872 1.387 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.862 10.098 -0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.513 9.044 3.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.285 11.543 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.079 11.015 3.453 1.00 0.00 H new ATOM 1133 N GLY A 84 14.001 6.325 -4.286 1.00 0.00 N ATOM 1134 CA GLY A 84 15.028 5.475 -4.850 1.00 0.00 C ATOM 1135 C GLY A 84 14.552 4.050 -4.984 1.00 0.00 C ATOM 1136 O GLY A 84 13.393 3.754 -4.701 1.00 0.00 O ATOM 0 H GLY A 84 13.045 6.021 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.321 5.856 -5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.915 5.506 -4.218 1.00 0.00 H new ATOM 1140 N THR A 85 15.431 3.165 -5.414 1.00 0.00 N ATOM 1141 CA THR A 85 15.078 1.767 -5.584 1.00 0.00 C ATOM 1142 C THR A 85 14.965 1.054 -4.239 1.00 0.00 C ATOM 1143 O THR A 85 15.859 1.145 -3.394 1.00 0.00 O ATOM 1144 CB THR A 85 16.113 1.051 -6.467 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.264 1.768 -7.698 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.696 -0.383 -6.763 1.00 0.00 C ATOM 0 H THR A 85 16.397 3.389 -5.653 1.00 0.00 H new ATOM 0 HA THR A 85 14.105 1.732 -6.074 1.00 0.00 H new ATOM 0 HB THR A 85 17.060 1.024 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.451 1.670 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.450 -0.859 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.600 -0.934 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.739 -0.383 -7.284 1.00 0.00 H new ATOM 1154 N VAL A 86 13.854 0.361 -4.050 1.00 0.00 N ATOM 1155 CA VAL A 86 13.611 -0.381 -2.830 1.00 0.00 C ATOM 1156 C VAL A 86 13.565 -1.870 -3.151 1.00 0.00 C ATOM 1157 O VAL A 86 12.779 -2.311 -3.991 1.00 0.00 O ATOM 1158 CB VAL A 86 12.294 0.047 -2.151 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.056 -0.761 -0.886 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.316 1.535 -1.833 1.00 0.00 C ATOM 0 H VAL A 86 13.101 0.299 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 86 14.423 -0.169 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 86 11.475 -0.147 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.122 -0.444 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.995 -1.820 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.880 -0.599 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.379 1.819 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.147 1.751 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.439 2.102 -2.756 1.00 0.00 H new ATOM 1170 N ASP A 87 14.421 -2.636 -2.499 1.00 0.00 N ATOM 1171 CA ASP A 87 14.490 -4.068 -2.740 1.00 0.00 C ATOM 1172 C ASP A 87 13.612 -4.849 -1.772 1.00 0.00 C ATOM 1173 O ASP A 87 13.531 -4.531 -0.587 1.00 0.00 O ATOM 1174 CB ASP A 87 15.934 -4.559 -2.633 1.00 0.00 C ATOM 1175 CG ASP A 87 16.038 -6.052 -2.834 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.941 -6.508 -3.988 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.206 -6.785 -1.839 1.00 0.00 O ATOM 0 H ASP A 87 15.078 -2.292 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 87 14.119 -4.243 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.547 -4.049 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.335 -4.296 -1.654 1.00 0.00 H new ATOM 1182 N CYS A 88 12.952 -5.869 -2.296 1.00 0.00 N ATOM 1183 CA CYS A 88 12.094 -6.725 -1.498 1.00 0.00 C ATOM 1184 C CYS A 88 12.584 -8.169 -1.606 1.00 0.00 C ATOM 1185 O CYS A 88 11.836 -9.121 -1.385 1.00 0.00 O ATOM 1186 CB CYS A 88 10.641 -6.606 -1.970 1.00 0.00 C ATOM 1187 SG CYS A 88 9.400 -6.753 -0.642 1.00 0.00 S ATOM 0 H CYS A 88 12.996 -6.125 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 88 12.135 -6.414 -0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.511 -5.644 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.450 -7.378 -2.715 1.00 0.00 H new ATOM 1192 N THR A 89 13.857 -8.317 -1.957 1.00 0.00 N ATOM 1193 CA THR A 89 14.464 -9.628 -2.092 1.00 0.00 C ATOM 1194 C THR A 89 15.242 -9.975 -0.827 1.00 0.00 C ATOM 1195 O THR A 89 15.157 -11.094 -0.320 1.00 0.00 O ATOM 1196 CB THR A 89 15.413 -9.685 -3.305 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.895 -8.877 -4.371 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.593 -11.115 -3.791 1.00 0.00 C ATOM 0 H THR A 89 14.487 -7.539 -2.153 1.00 0.00 H new ATOM 0 HA THR A 89 13.663 -10.351 -2.245 1.00 0.00 H new ATOM 0 HB THR A 89 16.384 -9.301 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.259 -7.970 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.267 -11.126 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.015 -11.721 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.626 -11.524 -4.085 1.00 0.00 H new ATOM 1206 N THR A 90 15.994 -9.003 -0.323 1.00 0.00 N ATOM 1207 CA THR A 90 16.784 -9.193 0.887 1.00 0.00 C ATOM 1208 C THR A 90 16.021 -8.676 2.110 1.00 0.00 C ATOM 1209 O THR A 90 16.427 -8.885 3.256 1.00 0.00 O ATOM 1210 CB THR A 90 18.154 -8.476 0.775 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.054 -8.939 1.792 1.00 0.00 O ATOM 1212 CG2 THR A 90 17.998 -6.968 0.885 1.00 0.00 C ATOM 0 H THR A 90 16.073 -8.073 -0.735 1.00 0.00 H new ATOM 0 HA THR A 90 16.964 -10.261 1.006 1.00 0.00 H new ATOM 0 HB THR A 90 18.567 -8.714 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.545 -9.181 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.976 -6.494 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.352 -6.610 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.553 -6.718 1.848 1.00 0.00 H new ATOM 1220 N ALA A 91 14.908 -8.004 1.849 1.00 0.00 N ATOM 1221 CA ALA A 91 14.077 -7.452 2.906 1.00 0.00 C ATOM 1222 C ALA A 91 12.609 -7.682 2.595 1.00 0.00 C ATOM 1223 O ALA A 91 12.261 -8.091 1.490 1.00 0.00 O ATOM 1224 CB ALA A 91 14.356 -5.969 3.082 1.00 0.00 C ATOM 0 H ALA A 91 14.559 -7.828 0.907 1.00 0.00 H new ATOM 0 HA ALA A 91 14.319 -7.961 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.725 -5.572 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.404 -5.825 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.139 -5.445 2.151 1.00 0.00 H new ATOM 1230 N ALA A 92 11.752 -7.429 3.569 1.00 0.00 N ATOM 1231 CA ALA A 92 10.322 -7.608 3.392 1.00 0.00 C ATOM 1232 C ALA A 92 9.645 -6.264 3.148 1.00 0.00 C ATOM 1233 O ALA A 92 10.220 -5.210 3.429 1.00 0.00 O ATOM 1234 CB ALA A 92 9.718 -8.299 4.603 1.00 0.00 C ATOM 0 H ALA A 92 12.024 -7.097 4.495 1.00 0.00 H new ATOM 0 HA ALA A 92 10.157 -8.240 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.646 -8.425 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.183 -9.276 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.891 -7.692 5.492 1.00 0.00 H new ATOM 1240 N CYS A 93 8.427 -6.309 2.630 1.00 0.00 N ATOM 1241 CA CYS A 93 7.669 -5.097 2.347 1.00 0.00 C ATOM 1242 C CYS A 93 6.327 -5.138 3.062 1.00 0.00 C ATOM 1243 O CYS A 93 5.829 -6.211 3.395 1.00 0.00 O ATOM 1244 CB CYS A 93 7.457 -4.946 0.838 1.00 0.00 C ATOM 1245 SG CYS A 93 8.999 -4.828 -0.128 1.00 0.00 S ATOM 0 H CYS A 93 7.940 -7.174 2.396 1.00 0.00 H new ATOM 0 HA CYS A 93 8.234 -4.239 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.880 -5.797 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.858 -4.054 0.654 1.00 0.00 H new ATOM 1250 N GLN A 94 5.741 -3.977 3.302 1.00 0.00 N ATOM 1251 CA GLN A 94 4.461 -3.903 3.981 1.00 0.00 C ATOM 1252 C GLN A 94 3.410 -3.248 3.090 1.00 0.00 C ATOM 1253 O GLN A 94 3.734 -2.487 2.178 1.00 0.00 O ATOM 1254 CB GLN A 94 4.582 -3.154 5.321 1.00 0.00 C ATOM 1255 CG GLN A 94 5.569 -1.995 5.322 1.00 0.00 C ATOM 1256 CD GLN A 94 6.953 -2.404 5.807 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.819 -2.771 5.012 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.165 -2.357 7.113 1.00 0.00 N ATOM 0 H GLN A 94 6.132 -3.073 3.036 1.00 0.00 H new ATOM 0 HA GLN A 94 4.140 -4.922 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.599 -2.775 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.878 -3.865 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.647 -1.588 4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.186 -1.197 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.422 -2.047 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.071 -2.631 7.493 1.00 0.00 H new ATOM 1267 N VAL A 95 2.153 -3.568 3.347 1.00 0.00 N ATOM 1268 CA VAL A 95 1.052 -3.015 2.578 1.00 0.00 C ATOM 1269 C VAL A 95 0.750 -1.597 3.048 1.00 0.00 C ATOM 1270 O VAL A 95 0.314 -1.390 4.183 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.220 -3.882 2.707 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.291 -3.416 1.736 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.102 -5.351 2.475 1.00 0.00 C ATOM 0 H VAL A 95 1.869 -4.211 4.086 1.00 0.00 H new ATOM 0 HA VAL A 95 1.352 -3.002 1.530 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.602 -3.769 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.177 -4.041 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.550 -2.379 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.915 -3.493 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.808 -5.943 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.515 -5.479 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.831 -5.685 3.214 1.00 0.00 H new ATOM 1283 N GLY A 96 0.996 -0.630 2.177 1.00 0.00 N ATOM 1284 CA GLY A 96 0.763 0.752 2.518 1.00 0.00 C ATOM 1285 C GLY A 96 -0.551 1.260 1.983 1.00 0.00 C ATOM 1286 O GLY A 96 -0.779 1.262 0.774 1.00 0.00 O ATOM 0 H GLY A 96 1.355 -0.783 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.779 0.864 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.574 1.363 2.123 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.416 1.676 2.888 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.718 2.196 2.524 1.00 0.00 C ATOM 1292 C LEU A 97 -3.025 3.447 3.336 1.00 0.00 C ATOM 1293 O LEU A 97 -2.881 3.453 4.561 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.800 1.133 2.749 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.513 0.129 3.874 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -4.240 0.523 5.148 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.911 -1.273 3.449 1.00 0.00 C ATOM 0 H LEU A 97 -1.236 1.663 3.892 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.708 2.458 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.741 1.638 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.942 0.581 1.820 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.442 0.141 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.022 -0.203 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.907 1.511 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.314 0.544 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.701 -1.972 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.976 -1.295 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.342 -1.560 2.565 1.00 0.00 H new ATOM 1309 N SER A 98 -3.403 4.513 2.649 1.00 0.00 N ATOM 1310 CA SER A 98 -3.734 5.774 3.298 1.00 0.00 C ATOM 1311 C SER A 98 -4.734 6.551 2.448 1.00 0.00 C ATOM 1312 O SER A 98 -4.852 6.312 1.245 1.00 0.00 O ATOM 1313 CB SER A 98 -2.470 6.614 3.516 1.00 0.00 C ATOM 1314 OG SER A 98 -1.454 5.863 4.164 1.00 0.00 O ATOM 0 H SER A 98 -3.489 4.531 1.633 1.00 0.00 H new ATOM 0 HA SER A 98 -4.181 5.558 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.101 6.975 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.713 7.492 4.115 1.00 0.00 H new ATOM 0 HG SER A 98 -0.661 6.425 4.288 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.456 7.473 3.078 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.446 8.294 2.381 1.00 0.00 C ATOM 1322 C ASP A 99 -5.762 9.428 1.613 1.00 0.00 C ATOM 1323 O ASP A 99 -4.545 9.430 1.462 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.460 8.870 3.383 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.978 10.146 4.046 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.971 10.102 4.782 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.609 11.204 3.830 1.00 0.00 O ATOM 0 H ASP A 99 -5.375 7.672 4.075 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.975 7.663 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.400 9.068 2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.668 8.124 4.150 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.552 10.382 1.130 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.026 11.524 0.390 1.00 0.00 C ATOM 1334 C ALA A 100 -5.041 12.330 1.235 1.00 0.00 C ATOM 1335 O ALA A 100 -4.073 12.890 0.715 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.166 12.409 -0.080 1.00 0.00 C ATOM 0 H ALA A 100 -7.566 10.386 1.239 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.486 11.145 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.763 13.259 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.828 11.836 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.727 12.769 0.783 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.299 12.395 2.536 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.431 13.119 3.449 1.00 0.00 C ATOM 1344 C ALA A 101 -3.211 12.277 3.791 1.00 0.00 C ATOM 1345 O ALA A 101 -2.073 12.729 3.655 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.190 13.501 4.709 1.00 0.00 C ATOM 0 H ALA A 101 -6.104 11.954 2.980 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.094 14.034 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.527 14.043 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.036 14.135 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.552 12.599 5.203 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.455 11.051 4.221 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.365 10.164 4.562 1.00 0.00 C ATOM 1354 C GLY A 102 -2.595 9.423 5.865 1.00 0.00 C ATOM 1355 O GLY A 102 -1.647 9.133 6.593 1.00 0.00 O ATOM 0 H GLY A 102 -4.387 10.654 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.226 9.441 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.443 10.741 4.635 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.852 9.122 6.172 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.184 8.406 7.400 1.00 0.00 C ATOM 1361 C ASN A 103 -5.171 7.285 7.108 1.00 0.00 C ATOM 1362 O ASN A 103 -5.646 7.146 5.980 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.778 9.361 8.444 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.825 10.478 8.831 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.993 10.322 9.726 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.946 11.617 8.164 1.00 0.00 N ATOM 0 H ASN A 103 -4.655 9.361 5.591 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.265 7.978 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.698 9.794 8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.048 8.795 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.337 12.405 8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.648 11.706 7.429 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.477 6.489 8.124 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.405 5.390 7.961 1.00 0.00 C ATOM 1375 C GLY A 104 -5.946 4.162 8.719 1.00 0.00 C ATOM 1376 O GLY A 104 -5.286 4.292 9.752 1.00 0.00 O ATOM 0 H GLY A 104 -5.095 6.587 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.392 5.690 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.505 5.150 6.902 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.287 2.955 8.235 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.882 1.693 8.874 1.00 0.00 C ATOM 1382 C PRO A 105 -4.362 1.539 8.941 1.00 0.00 C ATOM 1383 O PRO A 105 -3.625 2.185 8.189 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.494 0.616 7.969 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.588 1.312 7.234 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.113 2.722 7.039 1.00 0.00 C ATOM 0 HA PRO A 105 -6.220 1.635 9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.752 0.209 7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.879 -0.219 8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.785 0.829 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.518 1.287 7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.536 2.831 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.944 3.424 6.978 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.897 0.682 9.835 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.471 0.459 10.010 1.00 0.00 C ATOM 1396 C GLU A 106 -1.918 -0.449 8.912 1.00 0.00 C ATOM 1397 O GLU A 106 -2.626 -1.313 8.394 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.204 -0.149 11.384 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.747 -0.072 11.807 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.534 -0.556 13.220 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.419 -1.781 13.419 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.479 0.288 14.140 1.00 0.00 O ATOM 0 H GLU A 106 -4.489 0.127 10.453 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.962 1.420 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.817 0.364 12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.518 -1.193 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.141 -0.669 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.400 0.958 11.722 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.654 -0.238 8.565 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.016 -1.036 7.539 1.00 0.00 C ATOM 1411 C GLY A 107 0.365 -2.419 8.035 1.00 0.00 C ATOM 1412 O GLY A 107 0.787 -2.582 9.183 1.00 0.00 O ATOM 0 H GLY A 107 -0.057 0.477 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.688 -1.131 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.877 -0.521 7.185 1.00 0.00 H new ATOM 1416 N VAL A 108 0.224 -3.412 7.168 1.00 0.00 N ATOM 1417 CA VAL A 108 0.542 -4.792 7.516 1.00 0.00 C ATOM 1418 C VAL A 108 1.746 -5.277 6.714 1.00 0.00 C ATOM 1419 O VAL A 108 1.764 -5.174 5.489 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.659 -5.726 7.250 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.401 -7.108 7.828 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.940 -5.128 7.821 1.00 0.00 C ATOM 0 H VAL A 108 -0.111 -3.287 6.213 1.00 0.00 H new ATOM 0 HA VAL A 108 0.777 -4.819 8.580 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.784 -5.828 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.259 -7.751 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.488 -7.536 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.247 -7.029 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.775 -5.800 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.830 -4.992 8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.132 -4.163 7.351 1.00 0.00 H new ATOM 1432 N ALA A 109 2.748 -5.802 7.403 1.00 0.00 N ATOM 1433 CA ALA A 109 3.953 -6.283 6.743 1.00 0.00 C ATOM 1434 C ALA A 109 3.782 -7.705 6.227 1.00 0.00 C ATOM 1435 O ALA A 109 3.224 -8.564 6.913 1.00 0.00 O ATOM 1436 CB ALA A 109 5.141 -6.206 7.686 1.00 0.00 C ATOM 0 H ALA A 109 2.751 -5.906 8.418 1.00 0.00 H new ATOM 0 HA ALA A 109 4.137 -5.637 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.034 -6.569 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.295 -5.172 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.949 -6.822 8.565 1.00 0.00 H new ATOM 1442 N ILE A 110 4.265 -7.946 5.014 1.00 0.00 N ATOM 1443 CA ILE A 110 4.183 -9.259 4.395 1.00 0.00 C ATOM 1444 C ILE A 110 5.586 -9.764 4.076 1.00 0.00 C ATOM 1445 O ILE A 110 6.537 -8.982 4.025 1.00 0.00 O ATOM 1446 CB ILE A 110 3.332 -9.240 3.100 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.945 -8.304 2.048 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.906 -8.816 3.418 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.328 -8.447 0.671 1.00 0.00 C ATOM 0 H ILE A 110 4.722 -7.240 4.436 1.00 0.00 H new ATOM 0 HA ILE A 110 3.694 -9.928 5.104 1.00 0.00 H new ATOM 0 HB ILE A 110 3.319 -10.248 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.831 -7.273 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.015 -8.501 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.316 -8.806 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.466 -9.520 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.912 -7.818 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.812 -7.755 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.465 -9.468 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.263 -8.221 0.724 1.00 0.00 H new ATOM 1461 N SER A 111 5.726 -11.064 3.893 1.00 0.00 N ATOM 1462 CA SER A 111 7.020 -11.646 3.579 1.00 0.00 C ATOM 1463 C SER A 111 6.869 -12.834 2.637 1.00 0.00 C ATOM 1464 O SER A 111 5.874 -13.559 2.691 1.00 0.00 O ATOM 1465 CB SER A 111 7.722 -12.064 4.869 1.00 0.00 C ATOM 1466 OG SER A 111 7.907 -10.942 5.717 1.00 0.00 O ATOM 0 H SER A 111 4.962 -11.737 3.956 1.00 0.00 H new ATOM 0 HA SER A 111 7.628 -10.897 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.131 -12.823 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.687 -12.515 4.636 1.00 0.00 H new ATOM 0 HG SER A 111 8.357 -11.225 6.541 1.00 0.00 H new ATOM 1472 N PHE A 112 7.864 -13.023 1.782 1.00 0.00 N ATOM 1473 CA PHE A 112 7.860 -14.111 0.816 1.00 0.00 C ATOM 1474 C PHE A 112 8.480 -15.364 1.417 1.00 0.00 C ATOM 1475 O PHE A 112 9.097 -15.315 2.483 1.00 0.00 O ATOM 1476 CB PHE A 112 8.647 -13.723 -0.438 1.00 0.00 C ATOM 1477 CG PHE A 112 8.279 -12.387 -1.008 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.106 -12.221 -1.725 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.115 -11.301 -0.832 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.775 -10.993 -2.257 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.788 -10.068 -1.360 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.617 -9.914 -2.075 1.00 0.00 C ATOM 0 H PHE A 112 8.692 -12.430 1.739 1.00 0.00 H new ATOM 0 HA PHE A 112 6.823 -14.311 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.711 -13.723 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.491 -14.486 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.444 -13.062 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.033 -11.418 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.858 -10.875 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.447 -9.225 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.360 -8.951 -2.491 1.00 0.00 H new ATOM 1492 N ASN A 113 8.324 -16.480 0.722 1.00 0.00 N ATOM 1493 CA ASN A 113 8.882 -17.745 1.176 1.00 0.00 C ATOM 1494 C ASN A 113 10.345 -17.839 0.765 1.00 0.00 C ATOM 1495 O ASN A 113 11.142 -18.456 1.504 1.00 0.00 O ATOM 1496 CB ASN A 113 8.099 -18.928 0.601 1.00 0.00 C ATOM 1497 CG ASN A 113 8.045 -18.921 -0.917 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.949 -19.414 -1.593 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.971 -18.376 -1.460 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.700 -17.275 -0.291 1.00 0.00 O ATOM 0 H ASN A 113 7.815 -16.536 -0.160 1.00 0.00 H new ATOM 0 HA ASN A 113 8.807 -17.784 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.556 -19.858 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.083 -18.911 0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.868 -18.353 -2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.245 -17.978 -0.865 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.487 5.944 4.495 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.118 7.123 4.121 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.403 7.421 2.778 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.006 6.440 1.730 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.344 5.222 2.198 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.112 5.016 3.527 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.458 3.862 4.246 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.173 2.686 4.496 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.558 1.626 5.165 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.232 1.682 5.619 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.553 2.878 5.349 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.138 3.952 4.685 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.231 6.655 0.532 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.051 8.643 2.465 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.400 9.530 3.497 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.098 9.195 4.834 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.462 7.996 5.148 1.00 20.00 C HETATM 0 H8 FLN A 114 5.237 7.745 6.185 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.367 9.885 5.634 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.565 4.862 4.508 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.901 10.470 3.267 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.517 2.971 5.675 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.277 8.893 1.428 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.762 0.852 6.146 1.00 20.00 H new HETATM 0 H3' FLN A 114 4.132 0.717 5.342 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.032 4.468 1.475 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.209 2.597 4.169 1.00 20.00 H new