USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 867 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 72 THR OG1 : rot -95:sc= 1.27 USER MOD Set 1.2: A 89 SER OG : rot -101:sc= 1.19 USER MOD Single : A 1 VAL N :NH3+ 162:sc= -0.0821 (180deg=-0.63) USER MOD Single : A 2 THR OG1 : rot -9:sc= 0.841 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 51 THR OG1 : rot -162:sc= -2.37 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.141 (180deg=-0.75) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 22.846 -9.370 -2.966 1.00 0.00 N ATOM 2 CA VAL A 1 21.861 -8.460 -3.615 1.00 0.00 C ATOM 3 C VAL A 1 20.607 -8.365 -2.743 1.00 0.00 C ATOM 4 O VAL A 1 19.516 -8.686 -3.171 1.00 0.00 O ATOM 5 CB VAL A 1 21.484 -9.012 -4.991 1.00 0.00 C ATOM 6 CG1 VAL A 1 20.853 -10.397 -4.830 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.479 -8.070 -5.661 1.00 0.00 C ATOM 0 H1 VAL A 1 23.548 -9.679 -3.668 1.00 0.00 H new ATOM 0 H2 VAL A 1 23.327 -8.867 -2.193 1.00 0.00 H new ATOM 0 H3 VAL A 1 22.351 -10.201 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 1 22.302 -7.470 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 1 22.379 -9.089 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 1 20.584 -10.791 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 1 21.566 -11.069 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 1 19.958 -10.320 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 1 20.210 -8.463 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.584 -7.993 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.926 -7.083 -5.776 1.00 0.00 H new ATOM 19 N THR A 2 20.752 -7.927 -1.522 1.00 0.00 N ATOM 20 CA THR A 2 19.568 -7.815 -0.625 1.00 0.00 C ATOM 21 C THR A 2 19.260 -6.338 -0.369 1.00 0.00 C ATOM 22 O THR A 2 20.032 -5.632 0.249 1.00 0.00 O ATOM 23 CB THR A 2 19.864 -8.513 0.704 1.00 0.00 C ATOM 24 OG1 THR A 2 20.715 -7.691 1.490 1.00 0.00 O ATOM 25 CG2 THR A 2 20.552 -9.853 0.435 1.00 0.00 C ATOM 0 H THR A 2 21.639 -7.642 -1.107 1.00 0.00 H new ATOM 0 HA THR A 2 18.708 -8.289 -1.099 1.00 0.00 H new ATOM 0 HB THR A 2 18.931 -8.687 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.031 -6.937 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.763 -10.350 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.898 -10.483 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.486 -9.682 -0.101 1.00 0.00 H new ATOM 33 N ALA A 3 18.138 -5.868 -0.839 1.00 0.00 N ATOM 34 CA ALA A 3 17.782 -4.437 -0.622 1.00 0.00 C ATOM 35 C ALA A 3 16.310 -4.332 -0.218 1.00 0.00 C ATOM 36 O ALA A 3 15.420 -4.493 -1.031 1.00 0.00 O ATOM 37 CB ALA A 3 18.014 -3.653 -1.916 1.00 0.00 C ATOM 0 H ALA A 3 17.453 -6.412 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 3 18.405 -4.023 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.754 -2.606 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.063 -3.727 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.391 -4.067 -2.709 1.00 0.00 H new ATOM 43 N GLU A 4 16.043 -4.063 1.031 1.00 0.00 N ATOM 44 CA GLU A 4 14.629 -3.946 1.483 1.00 0.00 C ATOM 45 C GLU A 4 14.026 -2.654 0.930 1.00 0.00 C ATOM 46 O GLU A 4 14.682 -1.634 0.857 1.00 0.00 O ATOM 47 CB GLU A 4 14.582 -3.920 3.012 1.00 0.00 C ATOM 48 CG GLU A 4 15.665 -4.845 3.573 1.00 0.00 C ATOM 49 CD GLU A 4 16.844 -4.008 4.071 1.00 0.00 C ATOM 50 OE1 GLU A 4 16.668 -3.291 5.043 1.00 0.00 O ATOM 51 OE2 GLU A 4 17.904 -4.098 3.474 1.00 0.00 O ATOM 0 H GLU A 4 16.744 -3.919 1.758 1.00 0.00 H new ATOM 0 HA GLU A 4 14.057 -4.800 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.734 -2.903 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.600 -4.239 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.260 -5.443 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.999 -5.540 2.803 1.00 0.00 H new ATOM 58 N ILE A 5 12.782 -2.687 0.537 1.00 0.00 N ATOM 59 CA ILE A 5 12.142 -1.458 -0.012 1.00 0.00 C ATOM 60 C ILE A 5 10.954 -1.060 0.865 1.00 0.00 C ATOM 61 O ILE A 5 10.427 -1.857 1.615 1.00 0.00 O ATOM 62 CB ILE A 5 11.654 -1.731 -1.436 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.684 -2.591 -2.174 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.477 -0.404 -2.175 1.00 0.00 C ATOM 65 CD1 ILE A 5 12.160 -2.928 -3.571 1.00 0.00 C ATOM 0 H ILE A 5 12.182 -3.511 0.572 1.00 0.00 H new ATOM 0 HA ILE A 5 12.870 -0.647 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 5 10.701 -2.258 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.632 -2.058 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.876 -3.507 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.129 -0.596 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.744 0.210 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.431 0.122 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.893 -3.540 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.223 -3.478 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.990 -2.007 -4.128 1.00 0.00 H new ATOM 77 N ARG A 6 10.525 0.169 0.772 1.00 0.00 N ATOM 78 CA ARG A 6 9.369 0.621 1.596 1.00 0.00 C ATOM 79 C ARG A 6 8.140 0.781 0.699 1.00 0.00 C ATOM 80 O ARG A 6 8.188 1.433 -0.326 1.00 0.00 O ATOM 81 CB ARG A 6 9.702 1.965 2.250 1.00 0.00 C ATOM 82 CG ARG A 6 10.294 1.726 3.641 1.00 0.00 C ATOM 83 CD ARG A 6 11.820 1.688 3.549 1.00 0.00 C ATOM 84 NE ARG A 6 12.401 1.717 4.920 1.00 0.00 N ATOM 85 CZ ARG A 6 13.560 2.283 5.126 1.00 0.00 C ATOM 86 NH1 ARG A 6 13.749 3.526 4.779 1.00 0.00 N ATOM 87 NH2 ARG A 6 14.528 1.605 5.679 1.00 0.00 N ATOM 0 H ARG A 6 10.926 0.880 0.160 1.00 0.00 H new ATOM 0 HA ARG A 6 9.162 -0.117 2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.411 2.516 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.803 2.576 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.980 2.517 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.921 0.787 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.141 0.788 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.181 2.539 2.971 1.00 0.00 H new ATOM 0 HE ARG A 6 11.894 1.295 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.992 4.056 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.654 3.968 4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.380 0.633 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.433 2.047 5.840 1.00 0.00 H new ATOM 101 N LEU A 7 7.037 0.192 1.074 1.00 0.00 N ATOM 102 CA LEU A 7 5.808 0.310 0.240 1.00 0.00 C ATOM 103 C LEU A 7 4.594 0.544 1.141 1.00 0.00 C ATOM 104 O LEU A 7 4.660 0.377 2.344 1.00 0.00 O ATOM 105 CB LEU A 7 5.610 -0.981 -0.558 1.00 0.00 C ATOM 106 CG LEU A 7 6.475 -0.940 -1.819 1.00 0.00 C ATOM 107 CD1 LEU A 7 7.664 -1.887 -1.655 1.00 0.00 C ATOM 108 CD2 LEU A 7 5.638 -1.379 -3.023 1.00 0.00 C ATOM 0 H LEU A 7 6.934 -0.366 1.922 1.00 0.00 H new ATOM 0 HA LEU A 7 5.915 1.151 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.879 -1.843 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.560 -1.097 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 7 6.839 0.075 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.280 -1.857 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.260 -1.577 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.301 -2.903 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.252 -1.351 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.275 -2.394 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.790 -0.705 -3.141 1.00 0.00 H new ATOM 120 N TYR A 8 3.484 0.927 0.571 1.00 0.00 N ATOM 121 CA TYR A 8 2.266 1.171 1.394 1.00 0.00 C ATOM 122 C TYR A 8 1.020 0.897 0.551 1.00 0.00 C ATOM 123 O TYR A 8 0.757 1.575 -0.423 1.00 0.00 O ATOM 124 CB TYR A 8 2.250 2.625 1.868 1.00 0.00 C ATOM 125 CG TYR A 8 0.915 2.935 2.504 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.367 2.055 3.447 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.225 4.102 2.150 1.00 0.00 C ATOM 128 CE1 TYR A 8 -0.871 2.343 4.036 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.013 4.389 2.740 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.562 3.510 3.683 1.00 0.00 C ATOM 131 OH TYR A 8 -2.780 3.793 4.264 1.00 0.00 O ATOM 0 H TYR A 8 3.368 1.082 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 8 2.275 0.508 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.054 2.793 2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.428 3.295 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.899 1.155 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.647 4.780 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.293 1.665 4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.545 5.289 2.468 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.123 4.640 3.909 1.00 0.00 H new ATOM 141 N ILE A 9 0.250 -0.091 0.915 1.00 0.00 N ATOM 142 CA ILE A 9 -0.978 -0.405 0.133 1.00 0.00 C ATOM 143 C ILE A 9 -2.212 -0.005 0.943 1.00 0.00 C ATOM 144 O ILE A 9 -2.260 -0.179 2.145 1.00 0.00 O ATOM 145 CB ILE A 9 -1.024 -1.905 -0.161 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.320 -2.351 -0.741 1.00 0.00 C ATOM 147 CG2 ILE A 9 -2.135 -2.194 -1.173 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.385 -3.880 -0.765 1.00 0.00 C ATOM 0 H ILE A 9 0.418 -0.694 1.720 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.964 0.149 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.223 -2.450 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.442 -1.956 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.137 -1.951 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.167 -3.263 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.093 -1.875 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.937 -1.649 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.343 -4.197 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.283 -4.265 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.424 -4.269 -1.384 1.00 0.00 H new ATOM 160 N THR A 10 -3.211 0.528 0.296 1.00 0.00 N ATOM 161 CA THR A 10 -4.441 0.937 1.031 1.00 0.00 C ATOM 162 C THR A 10 -4.892 -0.207 1.941 1.00 0.00 C ATOM 163 O THR A 10 -5.085 -1.323 1.502 1.00 0.00 O ATOM 164 CB THR A 10 -5.549 1.262 0.027 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.971 1.787 -1.160 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.501 2.295 0.633 1.00 0.00 C ATOM 0 H THR A 10 -3.229 0.698 -0.710 1.00 0.00 H new ATOM 0 HA THR A 10 -4.230 1.819 1.635 1.00 0.00 H new ATOM 0 HB THR A 10 -6.104 0.354 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.679 1.994 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.290 2.526 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.944 1.892 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.948 3.204 0.870 1.00 0.00 H new ATOM 174 N GLU A 11 -5.060 0.060 3.207 1.00 0.00 N ATOM 175 CA GLU A 11 -5.496 -1.013 4.145 1.00 0.00 C ATOM 176 C GLU A 11 -6.906 -1.478 3.773 1.00 0.00 C ATOM 177 O GLU A 11 -7.821 -0.687 3.658 1.00 0.00 O ATOM 178 CB GLU A 11 -5.497 -0.472 5.576 1.00 0.00 C ATOM 179 CG GLU A 11 -5.365 -1.635 6.562 1.00 0.00 C ATOM 180 CD GLU A 11 -3.933 -2.173 6.529 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.040 -1.451 6.938 1.00 0.00 O ATOM 182 OE2 GLU A 11 -3.755 -3.299 6.095 1.00 0.00 O ATOM 0 H GLU A 11 -4.914 0.975 3.633 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.807 -1.855 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.673 0.229 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.418 0.078 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.616 -1.302 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.068 -2.427 6.303 1.00 0.00 H new ATOM 189 N GLY A 12 -7.086 -2.756 3.582 1.00 0.00 N ATOM 190 CA GLY A 12 -8.437 -3.274 3.218 1.00 0.00 C ATOM 191 C GLY A 12 -8.592 -4.705 3.737 1.00 0.00 C ATOM 192 O GLY A 12 -7.633 -5.339 4.131 1.00 0.00 O ATOM 0 H GLY A 12 -6.357 -3.465 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.210 -2.635 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.567 -3.252 2.136 1.00 0.00 H new ATOM 196 N GLU A 13 -9.791 -5.220 3.739 1.00 0.00 N ATOM 197 CA GLU A 13 -10.003 -6.610 4.233 1.00 0.00 C ATOM 198 C GLU A 13 -10.797 -7.408 3.195 1.00 0.00 C ATOM 199 O GLU A 13 -11.811 -8.003 3.500 1.00 0.00 O ATOM 200 CB GLU A 13 -10.782 -6.571 5.550 1.00 0.00 C ATOM 201 CG GLU A 13 -10.043 -7.397 6.604 1.00 0.00 C ATOM 202 CD GLU A 13 -10.751 -7.256 7.953 1.00 0.00 C ATOM 203 OE1 GLU A 13 -10.533 -6.251 8.612 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.499 -8.153 8.306 1.00 0.00 O ATOM 0 H GLU A 13 -10.632 -4.739 3.420 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.037 -7.087 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.891 -5.541 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.787 -6.966 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.013 -8.445 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.010 -7.060 6.687 1.00 0.00 H new ATOM 211 N VAL A 14 -10.342 -7.427 1.972 1.00 0.00 N ATOM 212 CA VAL A 14 -11.071 -8.189 0.919 1.00 0.00 C ATOM 213 C VAL A 14 -10.217 -9.378 0.472 1.00 0.00 C ATOM 214 O VAL A 14 -9.009 -9.289 0.389 1.00 0.00 O ATOM 215 CB VAL A 14 -11.342 -7.277 -0.279 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.395 -6.233 0.099 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.047 -6.570 -0.684 1.00 0.00 C ATOM 0 H VAL A 14 -9.498 -6.948 1.657 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.018 -8.549 1.320 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.708 -7.875 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.587 -5.584 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.318 -6.735 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.031 -5.635 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.239 -5.920 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.682 -5.973 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.297 -7.313 -0.955 1.00 0.00 H new ATOM 227 N GLU A 15 -10.836 -10.491 0.185 1.00 0.00 N ATOM 228 CA GLU A 15 -10.056 -11.683 -0.254 1.00 0.00 C ATOM 229 C GLU A 15 -9.177 -11.306 -1.449 1.00 0.00 C ATOM 230 O GLU A 15 -8.158 -11.919 -1.699 1.00 0.00 O ATOM 231 CB GLU A 15 -11.019 -12.799 -0.662 1.00 0.00 C ATOM 232 CG GLU A 15 -10.226 -13.963 -1.261 1.00 0.00 C ATOM 233 CD GLU A 15 -11.191 -14.976 -1.877 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.633 -15.857 -1.159 1.00 0.00 O ATOM 235 OE2 GLU A 15 -11.473 -14.853 -3.058 1.00 0.00 O ATOM 0 H GLU A 15 -11.846 -10.626 0.235 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.426 -12.027 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.586 -13.139 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.740 -12.424 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.536 -13.594 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.624 -14.442 -0.489 1.00 0.00 H new ATOM 242 N ASP A 16 -9.562 -10.303 -2.188 1.00 0.00 N ATOM 243 CA ASP A 16 -8.747 -9.889 -3.365 1.00 0.00 C ATOM 244 C ASP A 16 -7.446 -9.243 -2.884 1.00 0.00 C ATOM 245 O ASP A 16 -6.368 -9.760 -3.099 1.00 0.00 O ATOM 246 CB ASP A 16 -9.539 -8.882 -4.202 1.00 0.00 C ATOM 247 CG ASP A 16 -10.946 -9.427 -4.459 1.00 0.00 C ATOM 248 OD1 ASP A 16 -11.070 -10.626 -4.651 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.875 -8.637 -4.459 1.00 0.00 O ATOM 0 H ASP A 16 -10.405 -9.752 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.514 -10.764 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.597 -7.926 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.030 -8.699 -5.148 1.00 0.00 H new ATOM 254 N TYR A 17 -7.537 -8.116 -2.230 1.00 0.00 N ATOM 255 CA TYR A 17 -6.306 -7.440 -1.733 1.00 0.00 C ATOM 256 C TYR A 17 -5.446 -8.449 -0.968 1.00 0.00 C ATOM 257 O TYR A 17 -4.238 -8.330 -0.907 1.00 0.00 O ATOM 258 CB TYR A 17 -6.701 -6.287 -0.804 1.00 0.00 C ATOM 259 CG TYR A 17 -5.488 -5.810 -0.041 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.258 -5.668 -0.697 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.593 -5.509 1.323 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.132 -5.225 0.012 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.469 -5.067 2.031 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.239 -4.925 1.376 1.00 0.00 C ATOM 265 OH TYR A 17 -2.131 -4.489 2.075 1.00 0.00 O ATOM 0 H TYR A 17 -8.411 -7.635 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.737 -7.047 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.123 -5.467 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.474 -6.615 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.177 -5.900 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.541 -5.618 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.184 -5.115 -0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.550 -4.835 3.083 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.377 -4.324 3.009 1.00 0.00 H new ATOM 275 N ARG A 18 -6.059 -9.441 -0.382 1.00 0.00 N ATOM 276 CA ARG A 18 -5.278 -10.456 0.378 1.00 0.00 C ATOM 277 C ARG A 18 -4.475 -11.317 -0.598 1.00 0.00 C ATOM 278 O ARG A 18 -3.293 -11.540 -0.420 1.00 0.00 O ATOM 279 CB ARG A 18 -6.238 -11.347 1.170 1.00 0.00 C ATOM 280 CG ARG A 18 -6.090 -11.060 2.665 1.00 0.00 C ATOM 281 CD ARG A 18 -6.067 -12.379 3.439 1.00 0.00 C ATOM 282 NE ARG A 18 -6.128 -12.098 4.901 1.00 0.00 N ATOM 283 CZ ARG A 18 -7.134 -12.534 5.608 1.00 0.00 C ATOM 284 NH1 ARG A 18 -8.319 -12.008 5.450 1.00 0.00 N ATOM 285 NH2 ARG A 18 -6.958 -13.495 6.473 1.00 0.00 N ATOM 0 H ARG A 18 -7.068 -9.592 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.597 -9.952 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.265 -11.163 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.026 -12.397 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.172 -10.502 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.916 -10.438 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.911 -13.002 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.161 -12.936 3.202 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.383 -11.565 5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.458 -11.257 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.106 -12.349 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.033 -13.906 6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.746 -13.835 7.025 1.00 0.00 H new ATOM 299 N VAL A 19 -5.110 -11.805 -1.628 1.00 0.00 N ATOM 300 CA VAL A 19 -4.387 -12.654 -2.617 1.00 0.00 C ATOM 301 C VAL A 19 -3.261 -11.845 -3.264 1.00 0.00 C ATOM 302 O VAL A 19 -2.246 -12.384 -3.660 1.00 0.00 O ATOM 303 CB VAL A 19 -5.368 -13.120 -3.694 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.603 -13.820 -4.818 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.373 -14.095 -3.075 1.00 0.00 C ATOM 0 H VAL A 19 -6.099 -11.653 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.961 -13.520 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.897 -12.258 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.304 -14.151 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.886 -13.126 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.072 -14.682 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.074 -14.429 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.842 -14.956 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.920 -13.595 -2.275 1.00 0.00 H new ATOM 315 N PHE A 20 -3.428 -10.557 -3.371 1.00 0.00 N ATOM 316 CA PHE A 20 -2.363 -9.718 -3.989 1.00 0.00 C ATOM 317 C PHE A 20 -1.167 -9.636 -3.039 1.00 0.00 C ATOM 318 O PHE A 20 -0.031 -9.791 -3.441 1.00 0.00 O ATOM 319 CB PHE A 20 -2.907 -8.311 -4.251 1.00 0.00 C ATOM 320 CG PHE A 20 -1.766 -7.388 -4.606 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.228 -7.405 -5.900 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.246 -6.514 -3.642 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.168 -6.548 -6.229 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.187 -5.658 -3.971 1.00 0.00 C ATOM 325 CZ PHE A 20 0.352 -5.674 -5.265 1.00 0.00 C ATOM 0 H PHE A 20 -4.255 -10.049 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.049 -10.165 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.634 -8.336 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.427 -7.940 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.630 -8.078 -6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.662 -6.500 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.248 -6.562 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.214 -4.985 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.168 -5.013 -5.519 1.00 0.00 H new ATOM 335 N LEU A 21 -1.412 -9.392 -1.781 1.00 0.00 N ATOM 336 CA LEU A 21 -0.288 -9.300 -0.806 1.00 0.00 C ATOM 337 C LEU A 21 0.520 -10.599 -0.840 1.00 0.00 C ATOM 338 O LEU A 21 1.734 -10.584 -0.883 1.00 0.00 O ATOM 339 CB LEU A 21 -0.848 -9.085 0.601 1.00 0.00 C ATOM 340 CG LEU A 21 0.007 -8.055 1.340 1.00 0.00 C ATOM 341 CD1 LEU A 21 1.478 -8.474 1.285 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.156 -6.686 0.674 1.00 0.00 C ATOM 0 H LEU A 21 -2.342 -9.252 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 21 0.356 -8.462 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.881 -8.742 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.855 -10.027 1.149 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.315 -7.997 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.086 -7.739 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.597 -9.449 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.801 -8.533 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.453 -5.951 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.166 -6.747 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.203 -6.385 0.713 1.00 0.00 H new ATOM 354 N GLU A 22 -0.143 -11.722 -0.820 1.00 0.00 N ATOM 355 CA GLU A 22 0.589 -13.019 -0.850 1.00 0.00 C ATOM 356 C GLU A 22 1.305 -13.168 -2.194 1.00 0.00 C ATOM 357 O GLU A 22 2.401 -13.686 -2.269 1.00 0.00 O ATOM 358 CB GLU A 22 -0.404 -14.169 -0.668 1.00 0.00 C ATOM 359 CG GLU A 22 -0.563 -14.472 0.823 1.00 0.00 C ATOM 360 CD GLU A 22 -1.821 -13.784 1.354 1.00 0.00 C ATOM 361 OE1 GLU A 22 -1.727 -12.627 1.730 1.00 0.00 O ATOM 362 OE2 GLU A 22 -2.859 -14.425 1.376 1.00 0.00 O ATOM 0 H GLU A 22 -1.160 -11.798 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 22 1.322 -13.043 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.368 -13.903 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.051 -15.056 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.631 -15.548 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.313 -14.124 1.371 1.00 0.00 H new ATOM 369 N ARG A 23 0.696 -12.713 -3.255 1.00 0.00 N ATOM 370 CA ARG A 23 1.344 -12.826 -4.592 1.00 0.00 C ATOM 371 C ARG A 23 2.622 -11.987 -4.607 1.00 0.00 C ATOM 372 O ARG A 23 3.575 -12.298 -5.293 1.00 0.00 O ATOM 373 CB ARG A 23 0.386 -12.314 -5.668 1.00 0.00 C ATOM 374 CG ARG A 23 -0.365 -13.495 -6.288 1.00 0.00 C ATOM 375 CD ARG A 23 0.047 -13.650 -7.754 1.00 0.00 C ATOM 376 NE ARG A 23 0.805 -14.921 -7.924 1.00 0.00 N ATOM 377 CZ ARG A 23 0.883 -15.484 -9.099 1.00 0.00 C ATOM 378 NH1 ARG A 23 0.488 -14.838 -10.162 1.00 0.00 N ATOM 379 NH2 ARG A 23 1.356 -16.695 -9.212 1.00 0.00 N ATOM 0 H ARG A 23 -0.222 -12.268 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 23 1.589 -13.869 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.321 -11.607 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.940 -11.777 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.143 -14.410 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.441 -13.333 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.836 -13.652 -8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.661 -12.804 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 23 1.264 -15.352 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.118 -13.892 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.550 -15.280 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.665 -17.201 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.417 -17.135 -10.130 1.00 0.00 H new ATOM 393 N LEU A 24 2.649 -10.921 -3.856 1.00 0.00 N ATOM 394 CA LEU A 24 3.863 -10.058 -3.825 1.00 0.00 C ATOM 395 C LEU A 24 4.953 -10.734 -2.991 1.00 0.00 C ATOM 396 O LEU A 24 6.089 -10.843 -3.409 1.00 0.00 O ATOM 397 CB LEU A 24 3.508 -8.706 -3.201 1.00 0.00 C ATOM 398 CG LEU A 24 4.496 -7.644 -3.683 1.00 0.00 C ATOM 399 CD1 LEU A 24 3.728 -6.486 -4.323 1.00 0.00 C ATOM 400 CD2 LEU A 24 5.304 -7.122 -2.492 1.00 0.00 C ATOM 0 H LEU A 24 1.881 -10.610 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 24 4.228 -9.908 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.492 -8.423 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.537 -8.777 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 24 5.171 -8.083 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.432 -5.728 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.151 -6.856 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.053 -6.047 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.009 -6.365 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.628 -6.683 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.851 -7.946 -2.034 1.00 0.00 H new ATOM 412 N GLU A 25 4.618 -11.188 -1.814 1.00 0.00 N ATOM 413 CA GLU A 25 5.635 -11.856 -0.954 1.00 0.00 C ATOM 414 C GLU A 25 6.040 -13.191 -1.582 1.00 0.00 C ATOM 415 O GLU A 25 7.063 -13.759 -1.253 1.00 0.00 O ATOM 416 CB GLU A 25 5.045 -12.105 0.435 1.00 0.00 C ATOM 417 CG GLU A 25 6.120 -12.697 1.348 1.00 0.00 C ATOM 418 CD GLU A 25 5.544 -12.900 2.751 1.00 0.00 C ATOM 419 OE1 GLU A 25 4.405 -13.327 2.846 1.00 0.00 O ATOM 420 OE2 GLU A 25 6.252 -12.626 3.706 1.00 0.00 O ATOM 0 H GLU A 25 3.683 -11.125 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 25 6.512 -11.215 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.670 -11.172 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.197 -12.786 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.470 -13.648 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.983 -12.032 1.390 1.00 0.00 H new ATOM 427 N GLN A 26 5.245 -13.699 -2.484 1.00 0.00 N ATOM 428 CA GLN A 26 5.585 -14.998 -3.130 1.00 0.00 C ATOM 429 C GLN A 26 6.782 -14.806 -4.064 1.00 0.00 C ATOM 430 O GLN A 26 7.766 -15.515 -3.981 1.00 0.00 O ATOM 431 CB GLN A 26 4.383 -15.494 -3.937 1.00 0.00 C ATOM 432 CG GLN A 26 4.725 -16.833 -4.593 1.00 0.00 C ATOM 433 CD GLN A 26 3.621 -17.847 -4.289 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.514 -17.721 -4.774 1.00 0.00 O ATOM 435 NE2 GLN A 26 3.877 -18.856 -3.500 1.00 0.00 N ATOM 0 H GLN A 26 4.375 -13.271 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 26 5.837 -15.731 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.516 -15.607 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.116 -14.762 -4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.830 -16.706 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.682 -17.199 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.806 -18.962 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.148 -19.538 -3.291 1.00 0.00 H new ATOM 444 N SER A 27 6.707 -13.853 -4.952 1.00 0.00 N ATOM 445 CA SER A 27 7.841 -13.618 -5.891 1.00 0.00 C ATOM 446 C SER A 27 9.155 -13.584 -5.108 1.00 0.00 C ATOM 447 O SER A 27 10.179 -14.037 -5.578 1.00 0.00 O ATOM 448 CB SER A 27 7.639 -12.283 -6.609 1.00 0.00 C ATOM 449 OG SER A 27 8.890 -11.818 -7.096 1.00 0.00 O ATOM 0 H SER A 27 5.910 -13.227 -5.068 1.00 0.00 H new ATOM 0 HA SER A 27 7.878 -14.423 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.937 -12.403 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.207 -11.551 -5.926 1.00 0.00 H new ATOM 0 HG SER A 27 8.764 -10.963 -7.558 1.00 0.00 H new ATOM 455 N GLY A 28 9.135 -13.051 -3.916 1.00 0.00 N ATOM 456 CA GLY A 28 10.385 -12.989 -3.105 1.00 0.00 C ATOM 457 C GLY A 28 10.642 -11.545 -2.670 1.00 0.00 C ATOM 458 O GLY A 28 9.733 -10.746 -2.569 1.00 0.00 O ATOM 0 H GLY A 28 8.308 -12.656 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.295 -13.633 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.228 -13.359 -3.688 1.00 0.00 H new ATOM 462 N LEU A 29 11.876 -11.204 -2.410 1.00 0.00 N ATOM 463 CA LEU A 29 12.189 -9.812 -1.981 1.00 0.00 C ATOM 464 C LEU A 29 11.667 -9.587 -0.560 1.00 0.00 C ATOM 465 O LEU A 29 10.888 -10.365 -0.046 1.00 0.00 O ATOM 466 CB LEU A 29 11.514 -8.821 -2.934 1.00 0.00 C ATOM 467 CG LEU A 29 12.557 -7.838 -3.469 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.687 -8.007 -4.985 1.00 0.00 C ATOM 469 CD2 LEU A 29 12.116 -6.407 -3.153 1.00 0.00 C ATOM 0 H LEU A 29 12.679 -11.829 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 29 13.268 -9.659 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.045 -9.356 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.723 -8.281 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 29 13.519 -8.036 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.430 -7.307 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.999 -9.026 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.725 -7.808 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.858 -5.705 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.154 -6.210 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.021 -6.285 -2.074 1.00 0.00 H new ATOM 481 N GLU A 30 12.092 -8.532 0.081 1.00 0.00 N ATOM 482 CA GLU A 30 11.619 -8.263 1.468 1.00 0.00 C ATOM 483 C GLU A 30 11.308 -6.773 1.626 1.00 0.00 C ATOM 484 O GLU A 30 12.193 -5.959 1.801 1.00 0.00 O ATOM 485 CB GLU A 30 12.708 -8.664 2.466 1.00 0.00 C ATOM 486 CG GLU A 30 12.706 -10.183 2.643 1.00 0.00 C ATOM 487 CD GLU A 30 11.894 -10.551 3.887 1.00 0.00 C ATOM 488 OE1 GLU A 30 12.316 -10.193 4.974 1.00 0.00 O ATOM 489 OE2 GLU A 30 10.863 -11.186 3.731 1.00 0.00 O ATOM 0 H GLU A 30 12.746 -7.846 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 30 10.717 -8.843 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.683 -8.330 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.535 -8.176 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.279 -10.662 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.728 -10.550 2.741 1.00 0.00 H new ATOM 496 N TRP A 31 10.056 -6.409 1.567 1.00 0.00 N ATOM 497 CA TRP A 31 9.688 -4.971 1.717 1.00 0.00 C ATOM 498 C TRP A 31 8.858 -4.792 2.990 1.00 0.00 C ATOM 499 O TRP A 31 8.258 -5.725 3.487 1.00 0.00 O ATOM 500 CB TRP A 31 8.869 -4.524 0.505 1.00 0.00 C ATOM 501 CG TRP A 31 7.578 -5.275 0.470 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.402 -6.492 -0.097 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.284 -4.886 1.013 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.083 -6.873 0.063 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.354 -5.917 0.740 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.831 -3.749 1.709 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.020 -5.823 1.144 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.489 -3.651 2.117 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.587 -4.687 1.834 1.00 0.00 C ATOM 0 H TRP A 31 9.272 -7.045 1.421 1.00 0.00 H new ATOM 0 HA TRP A 31 10.593 -4.367 1.783 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.677 -3.452 0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.430 -4.702 -0.412 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.167 -7.070 -0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.696 -7.753 -0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.519 -2.947 1.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.328 -6.623 0.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.152 -2.775 2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.557 -4.607 2.149 1.00 0.00 H new ATOM 520 N ARG A 32 8.816 -3.602 3.524 1.00 0.00 N ATOM 521 CA ARG A 32 8.024 -3.372 4.765 1.00 0.00 C ATOM 522 C ARG A 32 7.027 -2.232 4.532 1.00 0.00 C ATOM 523 O ARG A 32 7.264 -1.361 3.720 1.00 0.00 O ATOM 524 CB ARG A 32 8.968 -3.002 5.909 1.00 0.00 C ATOM 525 CG ARG A 32 9.847 -4.207 6.254 1.00 0.00 C ATOM 526 CD ARG A 32 11.092 -3.736 7.006 1.00 0.00 C ATOM 527 NE ARG A 32 10.872 -3.888 8.472 1.00 0.00 N ATOM 528 CZ ARG A 32 11.025 -2.863 9.264 1.00 0.00 C ATOM 529 NH1 ARG A 32 12.222 -2.424 9.541 1.00 0.00 N ATOM 530 NH2 ARG A 32 9.980 -2.275 9.781 1.00 0.00 N ATOM 0 H ARG A 32 9.295 -2.780 3.155 1.00 0.00 H new ATOM 0 HA ARG A 32 7.480 -4.280 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.590 -2.155 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.394 -2.694 6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.287 -4.915 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.137 -4.731 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.960 -4.318 6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.304 -2.694 6.765 1.00 0.00 H new ATOM 0 HE ARG A 32 10.602 -4.793 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.039 -2.882 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.341 -1.622 10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.044 -2.617 9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.100 -1.473 10.400 1.00 0.00 H new ATOM 544 N PRO A 33 5.938 -2.276 5.256 1.00 0.00 N ATOM 545 CA PRO A 33 4.875 -1.261 5.157 1.00 0.00 C ATOM 546 C PRO A 33 5.282 0.016 5.897 1.00 0.00 C ATOM 547 O PRO A 33 5.624 -0.012 7.063 1.00 0.00 O ATOM 548 CB PRO A 33 3.675 -1.927 5.834 1.00 0.00 C ATOM 549 CG PRO A 33 4.251 -3.021 6.764 1.00 0.00 C ATOM 550 CD PRO A 33 5.664 -3.344 6.242 1.00 0.00 C ATOM 0 HA PRO A 33 4.665 -0.961 4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.096 -1.199 6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.003 -2.361 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.290 -2.671 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.621 -3.910 6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.397 -3.340 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.703 -4.331 5.781 1.00 0.00 H new ATOM 558 N ALA A 34 5.246 1.136 5.229 1.00 0.00 N ATOM 559 CA ALA A 34 5.628 2.414 5.892 1.00 0.00 C ATOM 560 C ALA A 34 4.442 3.380 5.859 1.00 0.00 C ATOM 561 O ALA A 34 3.593 3.305 4.992 1.00 0.00 O ATOM 562 CB ALA A 34 6.813 3.036 5.153 1.00 0.00 C ATOM 0 H ALA A 34 4.968 1.221 4.251 1.00 0.00 H new ATOM 0 HA ALA A 34 5.907 2.218 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.093 3.971 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.658 2.348 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.534 3.233 4.118 1.00 0.00 H new ATOM 568 N THR A 35 4.376 4.284 6.796 1.00 0.00 N ATOM 569 CA THR A 35 3.242 5.254 6.817 1.00 0.00 C ATOM 570 C THR A 35 3.149 5.958 5.458 1.00 0.00 C ATOM 571 O THR A 35 4.002 5.781 4.612 1.00 0.00 O ATOM 572 CB THR A 35 3.474 6.294 7.917 1.00 0.00 C ATOM 573 OG1 THR A 35 4.793 6.164 8.427 1.00 0.00 O ATOM 574 CG2 THR A 35 2.464 6.076 9.045 1.00 0.00 C ATOM 0 H THR A 35 5.056 4.394 7.548 1.00 0.00 H new ATOM 0 HA THR A 35 2.313 4.721 7.016 1.00 0.00 H new ATOM 0 HB THR A 35 3.346 7.294 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.939 6.832 9.129 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.628 6.816 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.452 6.181 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.591 5.075 9.458 1.00 0.00 H new ATOM 582 N PRO A 36 2.109 6.737 5.293 1.00 0.00 N ATOM 583 CA PRO A 36 1.870 7.486 4.048 1.00 0.00 C ATOM 584 C PRO A 36 2.785 8.714 3.980 1.00 0.00 C ATOM 585 O PRO A 36 2.759 9.468 3.026 1.00 0.00 O ATOM 586 CB PRO A 36 0.399 7.899 4.152 1.00 0.00 C ATOM 587 CG PRO A 36 0.043 7.863 5.657 1.00 0.00 C ATOM 588 CD PRO A 36 1.080 6.946 6.333 1.00 0.00 C ATOM 0 HA PRO A 36 2.078 6.905 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.245 8.896 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.237 7.218 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.073 8.864 6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.967 7.482 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.502 7.411 7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.633 6.003 6.647 1.00 0.00 H new ATOM 596 N GLU A 37 3.596 8.915 4.982 1.00 0.00 N ATOM 597 CA GLU A 37 4.516 10.087 4.974 1.00 0.00 C ATOM 598 C GLU A 37 5.935 9.614 4.651 1.00 0.00 C ATOM 599 O GLU A 37 6.841 10.405 4.479 1.00 0.00 O ATOM 600 CB GLU A 37 4.504 10.756 6.352 1.00 0.00 C ATOM 601 CG GLU A 37 3.704 12.059 6.280 1.00 0.00 C ATOM 602 CD GLU A 37 4.326 13.093 7.221 1.00 0.00 C ATOM 603 OE1 GLU A 37 5.472 13.449 7.004 1.00 0.00 O ATOM 604 OE2 GLU A 37 3.645 13.512 8.143 1.00 0.00 O ATOM 0 H GLU A 37 3.661 8.318 5.806 1.00 0.00 H new ATOM 0 HA GLU A 37 4.188 10.803 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.062 10.086 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.524 10.961 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.698 12.439 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.666 11.877 6.558 1.00 0.00 H new ATOM 611 N ASP A 38 6.136 8.326 4.565 1.00 0.00 N ATOM 612 CA ASP A 38 7.494 7.800 4.253 1.00 0.00 C ATOM 613 C ASP A 38 7.364 6.537 3.399 1.00 0.00 C ATOM 614 O ASP A 38 8.192 5.649 3.456 1.00 0.00 O ATOM 615 CB ASP A 38 8.221 7.459 5.556 1.00 0.00 C ATOM 616 CG ASP A 38 9.415 8.397 5.741 1.00 0.00 C ATOM 617 OD1 ASP A 38 9.529 9.340 4.976 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.198 8.155 6.646 1.00 0.00 O ATOM 0 H ASP A 38 5.416 7.615 4.698 1.00 0.00 H new ATOM 0 HA ASP A 38 8.060 8.555 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.538 7.553 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.560 6.423 5.534 1.00 0.00 H new ATOM 623 N ALA A 39 6.330 6.448 2.608 1.00 0.00 N ATOM 624 CA ALA A 39 6.147 5.241 1.753 1.00 0.00 C ATOM 625 C ALA A 39 6.840 5.457 0.406 1.00 0.00 C ATOM 626 O ALA A 39 6.306 6.090 -0.483 1.00 0.00 O ATOM 627 CB ALA A 39 4.654 4.998 1.523 1.00 0.00 C ATOM 0 H ALA A 39 5.604 7.159 2.517 1.00 0.00 H new ATOM 0 HA ALA A 39 6.584 4.376 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.521 4.115 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.159 4.842 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.217 5.864 1.026 1.00 0.00 H new ATOM 633 N ASP A 40 8.024 4.932 0.245 1.00 0.00 N ATOM 634 CA ASP A 40 8.746 5.106 -1.046 1.00 0.00 C ATOM 635 C ASP A 40 7.819 4.712 -2.198 1.00 0.00 C ATOM 636 O ASP A 40 7.720 5.402 -3.193 1.00 0.00 O ATOM 637 CB ASP A 40 9.987 4.211 -1.061 1.00 0.00 C ATOM 638 CG ASP A 40 11.070 4.823 -0.172 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.694 5.778 -0.604 1.00 0.00 O ATOM 640 OD2 ASP A 40 11.257 4.327 0.927 1.00 0.00 O ATOM 0 H ASP A 40 8.522 4.390 0.952 1.00 0.00 H new ATOM 0 HA ASP A 40 9.049 6.147 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.732 3.212 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.357 4.102 -2.080 1.00 0.00 H new ATOM 645 N ALA A 41 7.137 3.607 -2.068 1.00 0.00 N ATOM 646 CA ALA A 41 6.213 3.167 -3.151 1.00 0.00 C ATOM 647 C ALA A 41 4.777 3.168 -2.624 1.00 0.00 C ATOM 648 O ALA A 41 4.462 2.504 -1.657 1.00 0.00 O ATOM 649 CB ALA A 41 6.592 1.754 -3.600 1.00 0.00 C ATOM 0 H ALA A 41 7.180 2.989 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 41 6.290 3.850 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.917 1.431 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.616 1.753 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.513 1.070 -2.755 1.00 0.00 H new ATOM 655 N VAL A 42 3.905 3.909 -3.250 1.00 0.00 N ATOM 656 CA VAL A 42 2.491 3.951 -2.782 1.00 0.00 C ATOM 657 C VAL A 42 1.602 3.197 -3.773 1.00 0.00 C ATOM 658 O VAL A 42 1.389 3.635 -4.886 1.00 0.00 O ATOM 659 CB VAL A 42 2.029 5.406 -2.685 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.778 5.489 -1.811 1.00 0.00 C ATOM 661 CG2 VAL A 42 3.142 6.251 -2.062 1.00 0.00 C ATOM 0 H VAL A 42 4.110 4.487 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 42 2.419 3.481 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 42 1.799 5.781 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.450 6.526 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.015 4.886 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.006 5.114 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.815 7.288 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.370 5.874 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.035 6.193 -2.685 1.00 0.00 H new ATOM 671 N ILE A 43 1.083 2.066 -3.378 1.00 0.00 N ATOM 672 CA ILE A 43 0.209 1.286 -4.298 1.00 0.00 C ATOM 673 C ILE A 43 -1.255 1.474 -3.894 1.00 0.00 C ATOM 674 O ILE A 43 -1.638 1.205 -2.772 1.00 0.00 O ATOM 675 CB ILE A 43 0.575 -0.197 -4.216 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.094 -0.353 -4.315 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.089 -0.951 -5.370 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.536 -1.575 -3.508 1.00 0.00 C ATOM 0 H ILE A 43 1.227 1.649 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 43 0.352 1.639 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 43 0.227 -0.605 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.391 -0.466 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.587 0.543 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.172 -2.008 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.171 -0.840 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.259 -0.543 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.618 -1.686 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.252 -1.444 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.053 -2.468 -3.906 1.00 0.00 H new ATOM 690 N VAL A 44 -2.076 1.934 -4.799 1.00 0.00 N ATOM 691 CA VAL A 44 -3.513 2.140 -4.465 1.00 0.00 C ATOM 692 C VAL A 44 -4.373 1.169 -5.274 1.00 0.00 C ATOM 693 O VAL A 44 -4.354 1.172 -6.490 1.00 0.00 O ATOM 694 CB VAL A 44 -3.911 3.577 -4.805 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.160 3.964 -4.011 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.762 4.520 -4.439 1.00 0.00 C ATOM 0 H VAL A 44 -1.813 2.176 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.668 1.959 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.122 3.654 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.443 4.988 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.978 3.291 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.951 3.889 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.042 5.545 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.553 4.442 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.871 4.245 -5.004 1.00 0.00 H new ATOM 706 N LEU A 45 -5.128 0.337 -4.611 1.00 0.00 N ATOM 707 CA LEU A 45 -5.990 -0.633 -5.344 1.00 0.00 C ATOM 708 C LEU A 45 -7.260 0.076 -5.820 1.00 0.00 C ATOM 709 O LEU A 45 -7.748 0.989 -5.184 1.00 0.00 O ATOM 710 CB LEU A 45 -6.369 -1.785 -4.410 1.00 0.00 C ATOM 711 CG LEU A 45 -5.105 -2.358 -3.766 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.489 -3.473 -2.792 1.00 0.00 C ATOM 713 CD2 LEU A 45 -4.193 -2.925 -4.855 1.00 0.00 C ATOM 0 H LEU A 45 -5.185 0.287 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.447 -1.026 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.054 -1.432 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.890 -2.563 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.582 -1.569 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.589 -3.881 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.141 -3.070 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.012 -4.263 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.292 -3.334 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.717 -3.715 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.919 -2.131 -5.550 1.00 0.00 H new ATOM 725 N ALA A 46 -7.799 -0.336 -6.934 1.00 0.00 N ATOM 726 CA ALA A 46 -9.036 0.317 -7.447 1.00 0.00 C ATOM 727 C ALA A 46 -10.241 -0.582 -7.168 1.00 0.00 C ATOM 728 O ALA A 46 -11.297 -0.421 -7.748 1.00 0.00 O ATOM 729 CB ALA A 46 -8.907 0.543 -8.955 1.00 0.00 C ATOM 0 H ALA A 46 -7.437 -1.096 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.174 1.275 -6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.812 1.021 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.049 1.185 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.768 -0.415 -9.456 1.00 0.00 H new ATOM 735 N GLY A 47 -10.094 -1.529 -6.282 1.00 0.00 N ATOM 736 CA GLY A 47 -11.232 -2.437 -5.966 1.00 0.00 C ATOM 737 C GLY A 47 -12.086 -1.817 -4.859 1.00 0.00 C ATOM 738 O GLY A 47 -13.279 -2.034 -4.785 1.00 0.00 O ATOM 0 H GLY A 47 -9.235 -1.713 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.837 -2.603 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.858 -3.410 -5.649 1.00 0.00 H new ATOM 742 N LEU A 48 -11.483 -1.045 -3.995 1.00 0.00 N ATOM 743 CA LEU A 48 -12.259 -0.410 -2.894 1.00 0.00 C ATOM 744 C LEU A 48 -12.784 0.950 -3.360 1.00 0.00 C ATOM 745 O LEU A 48 -13.055 1.827 -2.565 1.00 0.00 O ATOM 746 CB LEU A 48 -11.350 -0.217 -1.678 1.00 0.00 C ATOM 747 CG LEU A 48 -10.654 -1.538 -1.346 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.138 -1.334 -1.362 1.00 0.00 C ATOM 749 CD2 LEU A 48 -11.090 -2.009 0.044 1.00 0.00 C ATOM 0 H LEU A 48 -10.487 -0.827 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.099 -1.050 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.609 0.555 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.935 0.123 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.928 -2.289 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.642 -2.275 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.826 -0.998 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.864 -0.583 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.594 -2.950 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.816 -1.258 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.170 -2.154 0.057 1.00 0.00 H new ATOM 761 N TRP A 49 -12.929 1.130 -4.644 1.00 0.00 N ATOM 762 CA TRP A 49 -13.434 2.432 -5.162 1.00 0.00 C ATOM 763 C TRP A 49 -14.835 2.695 -4.607 1.00 0.00 C ATOM 764 O TRP A 49 -15.346 3.794 -4.680 1.00 0.00 O ATOM 765 CB TRP A 49 -13.491 2.383 -6.690 1.00 0.00 C ATOM 766 CG TRP A 49 -13.827 3.739 -7.221 1.00 0.00 C ATOM 767 CD1 TRP A 49 -15.080 4.230 -7.359 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.924 4.784 -7.683 1.00 0.00 C ATOM 769 NE1 TRP A 49 -15.003 5.510 -7.878 1.00 0.00 N ATOM 770 CE2 TRP A 49 -13.695 5.896 -8.094 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.523 4.871 -7.785 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -13.098 7.056 -8.589 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.917 6.037 -8.283 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.704 7.127 -8.684 1.00 0.00 C ATOM 0 H TRP A 49 -12.719 0.431 -5.357 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.764 3.233 -4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.533 2.052 -7.090 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -14.239 1.659 -7.013 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.991 3.708 -7.106 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.813 6.097 -8.077 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.910 4.036 -7.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.708 7.893 -8.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.841 6.094 -8.357 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.234 8.021 -9.066 1.00 0.00 H new ATOM 785 N GLY A 50 -15.463 1.693 -4.053 1.00 0.00 N ATOM 786 CA GLY A 50 -16.830 1.888 -3.495 1.00 0.00 C ATOM 787 C GLY A 50 -16.864 1.401 -2.046 1.00 0.00 C ATOM 788 O GLY A 50 -17.834 0.821 -1.599 1.00 0.00 O ATOM 0 H GLY A 50 -15.088 0.749 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.107 2.941 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.559 1.340 -4.091 1.00 0.00 H new ATOM 792 N THR A 51 -15.812 1.630 -1.308 1.00 0.00 N ATOM 793 CA THR A 51 -15.786 1.178 0.111 1.00 0.00 C ATOM 794 C THR A 51 -14.903 2.121 0.933 1.00 0.00 C ATOM 795 O THR A 51 -15.347 2.722 1.892 1.00 0.00 O ATOM 796 CB THR A 51 -15.220 -0.243 0.182 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.086 -0.341 -0.668 1.00 0.00 O ATOM 798 CG2 THR A 51 -16.286 -1.242 -0.269 1.00 0.00 C ATOM 0 H THR A 51 -14.970 2.110 -1.627 1.00 0.00 H new ATOM 0 HA THR A 51 -16.799 1.187 0.514 1.00 0.00 H new ATOM 0 HB THR A 51 -14.927 -0.467 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.895 -1.285 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.882 -2.253 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.156 -1.165 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.581 -1.021 -1.295 1.00 0.00 H new ATOM 806 N ARG A 52 -13.657 2.257 0.568 1.00 0.00 N ATOM 807 CA ARG A 52 -12.751 3.161 1.333 1.00 0.00 C ATOM 808 C ARG A 52 -12.291 4.312 0.435 1.00 0.00 C ATOM 809 O ARG A 52 -11.124 4.651 0.392 1.00 0.00 O ATOM 810 CB ARG A 52 -11.531 2.373 1.817 1.00 0.00 C ATOM 811 CG ARG A 52 -11.315 2.632 3.309 1.00 0.00 C ATOM 812 CD ARG A 52 -12.419 1.943 4.114 1.00 0.00 C ATOM 813 NE ARG A 52 -12.223 0.466 4.058 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.917 -0.193 5.142 1.00 0.00 C ATOM 815 NH1 ARG A 52 -10.736 -0.055 5.679 1.00 0.00 N ATOM 816 NH2 ARG A 52 -12.793 -0.991 5.689 1.00 0.00 N ATOM 0 H ARG A 52 -13.228 1.782 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.288 3.565 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.679 1.308 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.646 2.670 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.339 2.257 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.321 3.704 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.397 2.285 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.397 2.207 3.711 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.328 -0.029 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.051 0.568 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.498 -0.570 6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.716 -1.099 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.554 -1.506 6.536 1.00 0.00 H new ATOM 830 N ARG A 53 -13.198 4.919 -0.280 1.00 0.00 N ATOM 831 CA ARG A 53 -12.813 6.049 -1.171 1.00 0.00 C ATOM 832 C ARG A 53 -12.143 7.147 -0.339 1.00 0.00 C ATOM 833 O ARG A 53 -11.245 7.826 -0.796 1.00 0.00 O ATOM 834 CB ARG A 53 -14.067 6.611 -1.848 1.00 0.00 C ATOM 835 CG ARG A 53 -13.749 7.971 -2.476 1.00 0.00 C ATOM 836 CD ARG A 53 -14.225 7.987 -3.929 1.00 0.00 C ATOM 837 NE ARG A 53 -13.472 9.026 -4.686 1.00 0.00 N ATOM 838 CZ ARG A 53 -13.956 9.501 -5.802 1.00 0.00 C ATOM 839 NH1 ARG A 53 -15.016 8.960 -6.340 1.00 0.00 N ATOM 840 NH2 ARG A 53 -13.378 10.517 -6.382 1.00 0.00 N ATOM 0 H ARG A 53 -14.190 4.681 -0.285 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.117 5.695 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.420 5.920 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.870 6.715 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.238 8.766 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.677 8.162 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.073 7.008 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.294 8.195 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.578 9.367 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.468 8.165 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.392 9.333 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.549 10.939 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.755 10.889 -7.254 1.00 0.00 H new ATOM 854 N ASP A 54 -12.576 7.327 0.878 1.00 0.00 N ATOM 855 CA ASP A 54 -11.969 8.381 1.739 1.00 0.00 C ATOM 856 C ASP A 54 -10.502 8.040 2.011 1.00 0.00 C ATOM 857 O ASP A 54 -9.646 8.901 2.023 1.00 0.00 O ATOM 858 CB ASP A 54 -12.730 8.454 3.064 1.00 0.00 C ATOM 859 CG ASP A 54 -13.126 9.903 3.348 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.274 10.767 3.219 1.00 0.00 O ATOM 861 OD2 ASP A 54 -14.276 10.125 3.691 1.00 0.00 O ATOM 0 H ASP A 54 -13.325 6.789 1.314 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.028 9.343 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.619 7.825 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.109 8.071 3.874 1.00 0.00 H new ATOM 866 N GLU A 55 -10.207 6.789 2.232 1.00 0.00 N ATOM 867 CA GLU A 55 -8.797 6.393 2.507 1.00 0.00 C ATOM 868 C GLU A 55 -7.940 6.645 1.264 1.00 0.00 C ATOM 869 O GLU A 55 -6.823 7.116 1.355 1.00 0.00 O ATOM 870 CB GLU A 55 -8.747 4.906 2.865 1.00 0.00 C ATOM 871 CG GLU A 55 -7.757 4.690 4.012 1.00 0.00 C ATOM 872 CD GLU A 55 -7.811 3.229 4.462 1.00 0.00 C ATOM 873 OE1 GLU A 55 -7.848 2.365 3.602 1.00 0.00 O ATOM 874 OE2 GLU A 55 -7.814 2.999 5.660 1.00 0.00 O ATOM 0 H GLU A 55 -10.881 6.024 2.234 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.411 6.983 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.738 4.557 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.446 4.322 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.748 4.945 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.001 5.348 4.846 1.00 0.00 H new ATOM 881 N ILE A 56 -8.448 6.327 0.105 1.00 0.00 N ATOM 882 CA ILE A 56 -7.655 6.542 -1.141 1.00 0.00 C ATOM 883 C ILE A 56 -7.539 8.040 -1.437 1.00 0.00 C ATOM 884 O ILE A 56 -6.629 8.478 -2.110 1.00 0.00 O ATOM 885 CB ILE A 56 -8.350 5.847 -2.311 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.509 4.358 -1.998 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.505 6.012 -3.576 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.921 3.905 -2.379 1.00 0.00 C ATOM 0 H ILE A 56 -9.376 5.928 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.657 6.126 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.332 6.294 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.768 3.778 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.331 4.177 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.000 5.517 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.389 7.072 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.523 5.565 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.035 2.844 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.653 4.476 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.082 4.071 -3.444 1.00 0.00 H new ATOM 900 N LEU A 57 -8.454 8.829 -0.944 1.00 0.00 N ATOM 901 CA LEU A 57 -8.390 10.294 -1.209 1.00 0.00 C ATOM 902 C LEU A 57 -7.258 10.918 -0.389 1.00 0.00 C ATOM 903 O LEU A 57 -6.405 11.606 -0.915 1.00 0.00 O ATOM 904 CB LEU A 57 -9.720 10.945 -0.821 1.00 0.00 C ATOM 905 CG LEU A 57 -9.916 12.226 -1.632 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.450 11.875 -3.022 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.920 13.135 -0.916 1.00 0.00 C ATOM 0 H LEU A 57 -9.241 8.524 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.201 10.459 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.543 10.255 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.729 11.172 0.245 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.961 12.743 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.590 12.789 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.737 11.228 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.405 11.358 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.060 14.049 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.874 12.617 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.541 13.387 0.074 1.00 0.00 H new ATOM 919 N GLY A 58 -7.241 10.686 0.894 1.00 0.00 N ATOM 920 CA GLY A 58 -6.164 11.269 1.743 1.00 0.00 C ATOM 921 C GLY A 58 -4.820 10.634 1.377 1.00 0.00 C ATOM 922 O GLY A 58 -3.778 11.243 1.513 1.00 0.00 O ATOM 0 H GLY A 58 -7.926 10.118 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.118 12.349 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.384 11.096 2.796 1.00 0.00 H new ATOM 926 N ALA A 59 -4.835 9.413 0.917 1.00 0.00 N ATOM 927 CA ALA A 59 -3.558 8.740 0.547 1.00 0.00 C ATOM 928 C ALA A 59 -2.993 9.375 -0.727 1.00 0.00 C ATOM 929 O ALA A 59 -1.914 9.935 -0.725 1.00 0.00 O ATOM 930 CB ALA A 59 -3.819 7.253 0.303 1.00 0.00 C ATOM 0 H ALA A 59 -5.676 8.852 0.781 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.839 8.856 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.886 6.759 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.219 6.800 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.539 7.138 -0.508 1.00 0.00 H new ATOM 936 N VAL A 60 -3.710 9.290 -1.814 1.00 0.00 N ATOM 937 CA VAL A 60 -3.208 9.887 -3.083 1.00 0.00 C ATOM 938 C VAL A 60 -2.897 11.368 -2.861 1.00 0.00 C ATOM 939 O VAL A 60 -2.013 11.927 -3.479 1.00 0.00 O ATOM 940 CB VAL A 60 -4.275 9.745 -4.170 1.00 0.00 C ATOM 941 CG1 VAL A 60 -3.769 10.378 -5.468 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.565 8.261 -4.407 1.00 0.00 C ATOM 0 H VAL A 60 -4.620 8.834 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.301 9.369 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.188 10.249 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.529 10.277 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.560 11.435 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.857 9.874 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.325 8.158 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.652 7.758 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.925 7.808 -3.483 1.00 0.00 H new ATOM 952 N ASP A 61 -3.617 12.009 -1.981 1.00 0.00 N ATOM 953 CA ASP A 61 -3.362 13.453 -1.719 1.00 0.00 C ATOM 954 C ASP A 61 -1.950 13.625 -1.154 1.00 0.00 C ATOM 955 O ASP A 61 -1.147 14.369 -1.683 1.00 0.00 O ATOM 956 CB ASP A 61 -4.385 13.976 -0.707 1.00 0.00 C ATOM 957 CG ASP A 61 -4.274 15.498 -0.609 1.00 0.00 C ATOM 958 OD1 ASP A 61 -3.555 16.074 -1.409 1.00 0.00 O ATOM 959 OD2 ASP A 61 -4.910 16.063 0.267 1.00 0.00 O ATOM 0 H ASP A 61 -4.371 11.595 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.453 14.014 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.392 13.693 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.210 13.524 0.269 1.00 0.00 H new ATOM 964 N LEU A 62 -1.640 12.942 -0.086 1.00 0.00 N ATOM 965 CA LEU A 62 -0.279 13.065 0.509 1.00 0.00 C ATOM 966 C LEU A 62 0.764 12.624 -0.520 1.00 0.00 C ATOM 967 O LEU A 62 1.909 13.030 -0.474 1.00 0.00 O ATOM 968 CB LEU A 62 -0.181 12.174 1.749 1.00 0.00 C ATOM 969 CG LEU A 62 0.420 12.970 2.909 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.727 12.026 4.073 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.714 13.644 2.447 1.00 0.00 C ATOM 0 H LEU A 62 -2.270 12.304 0.400 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.097 14.101 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.169 11.804 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.437 11.302 1.534 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.291 13.729 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.155 12.594 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.193 11.544 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.438 11.267 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.143 14.212 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.424 12.884 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.497 14.317 1.618 1.00 0.00 H new ATOM 983 N ALA A 63 0.376 11.792 -1.448 1.00 0.00 N ATOM 984 CA ALA A 63 1.343 11.323 -2.481 1.00 0.00 C ATOM 985 C ALA A 63 1.751 12.501 -3.368 1.00 0.00 C ATOM 986 O ALA A 63 2.920 12.747 -3.589 1.00 0.00 O ATOM 987 CB ALA A 63 0.684 10.244 -3.342 1.00 0.00 C ATOM 0 H ALA A 63 -0.568 11.417 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 63 2.226 10.911 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.390 9.900 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.390 9.405 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.198 10.657 -3.831 1.00 0.00 H new ATOM 993 N ARG A 64 0.796 13.228 -3.879 1.00 0.00 N ATOM 994 CA ARG A 64 1.129 14.386 -4.753 1.00 0.00 C ATOM 995 C ARG A 64 1.773 15.494 -3.916 1.00 0.00 C ATOM 996 O ARG A 64 2.253 16.480 -4.439 1.00 0.00 O ATOM 997 CB ARG A 64 -0.150 14.918 -5.404 1.00 0.00 C ATOM 998 CG ARG A 64 -0.174 14.524 -6.882 1.00 0.00 C ATOM 999 CD ARG A 64 -0.433 15.766 -7.738 1.00 0.00 C ATOM 1000 NE ARG A 64 -1.892 15.883 -8.014 1.00 0.00 N ATOM 1001 CZ ARG A 64 -2.546 16.942 -7.623 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -2.115 18.131 -7.944 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -3.631 16.811 -6.909 1.00 0.00 N ATOM 0 H ARG A 64 -0.200 13.070 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 64 1.826 14.065 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.025 14.514 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.197 16.003 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.775 14.067 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.950 13.780 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.077 16.657 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.121 15.698 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.379 15.136 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.266 18.233 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.627 18.959 -7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.967 15.881 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.143 17.638 -6.603 1.00 0.00 H new ATOM 1017 N LYS A 65 1.790 15.341 -2.620 1.00 0.00 N ATOM 1018 CA LYS A 65 2.406 16.388 -1.756 1.00 0.00 C ATOM 1019 C LYS A 65 3.790 16.745 -2.300 1.00 0.00 C ATOM 1020 O LYS A 65 4.237 17.869 -2.195 1.00 0.00 O ATOM 1021 CB LYS A 65 2.540 15.859 -0.327 1.00 0.00 C ATOM 1022 CG LYS A 65 3.317 16.870 0.520 1.00 0.00 C ATOM 1023 CD LYS A 65 2.667 16.990 1.899 1.00 0.00 C ATOM 1024 CE LYS A 65 3.362 18.093 2.701 1.00 0.00 C ATOM 1025 NZ LYS A 65 4.831 18.037 2.455 1.00 0.00 N ATOM 0 H LYS A 65 1.405 14.538 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 65 1.774 17.276 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.553 15.690 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.055 14.899 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.355 16.553 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.328 17.842 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.606 17.217 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.739 16.041 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.971 19.069 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.156 17.969 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.329 18.559 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.146 17.046 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.045 18.467 1.533 1.00 0.00 H new ATOM 1039 N SER A 66 4.473 15.795 -2.879 1.00 0.00 N ATOM 1040 CA SER A 66 5.828 16.081 -3.430 1.00 0.00 C ATOM 1041 C SER A 66 5.961 15.444 -4.814 1.00 0.00 C ATOM 1042 O SER A 66 6.016 16.127 -5.818 1.00 0.00 O ATOM 1043 CB SER A 66 6.892 15.499 -2.499 1.00 0.00 C ATOM 1044 OG SER A 66 8.179 15.906 -2.947 1.00 0.00 O ATOM 0 H SER A 66 4.151 14.834 -2.994 1.00 0.00 H new ATOM 0 HA SER A 66 5.966 17.159 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.725 15.841 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.825 14.411 -2.486 1.00 0.00 H new ATOM 0 HG SER A 66 8.864 15.537 -2.352 1.00 0.00 H new ATOM 1050 N SER A 67 6.013 14.142 -4.878 1.00 0.00 N ATOM 1051 CA SER A 67 6.142 13.467 -6.199 1.00 0.00 C ATOM 1052 C SER A 67 6.370 11.969 -5.992 1.00 0.00 C ATOM 1053 O SER A 67 7.202 11.363 -6.639 1.00 0.00 O ATOM 1054 CB SER A 67 7.327 14.061 -6.961 1.00 0.00 C ATOM 1055 OG SER A 67 6.902 14.444 -8.263 1.00 0.00 O ATOM 0 H SER A 67 5.972 13.517 -4.073 1.00 0.00 H new ATOM 0 HA SER A 67 5.227 13.617 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.723 14.924 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.134 13.331 -7.029 1.00 0.00 H new ATOM 0 HG SER A 67 7.658 14.827 -8.755 1.00 0.00 H new ATOM 1061 N LYS A 68 5.636 11.363 -5.100 1.00 0.00 N ATOM 1062 CA LYS A 68 5.813 9.903 -4.864 1.00 0.00 C ATOM 1063 C LYS A 68 5.089 9.125 -5.966 1.00 0.00 C ATOM 1064 O LYS A 68 4.116 9.597 -6.518 1.00 0.00 O ATOM 1065 CB LYS A 68 5.229 9.529 -3.499 1.00 0.00 C ATOM 1066 CG LYS A 68 6.101 10.126 -2.392 1.00 0.00 C ATOM 1067 CD LYS A 68 5.372 10.020 -1.051 1.00 0.00 C ATOM 1068 CE LYS A 68 6.122 10.837 0.003 1.00 0.00 C ATOM 1069 NZ LYS A 68 7.245 10.027 0.551 1.00 0.00 N ATOM 0 H LYS A 68 4.924 11.814 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 68 6.874 9.655 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.208 9.901 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.183 8.445 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.054 9.599 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.325 11.169 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.350 10.386 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.309 8.977 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.505 11.757 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.443 11.127 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.756 10.581 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.868 9.161 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.897 9.772 -0.218 1.00 0.00 H new ATOM 1083 N PRO A 69 5.594 7.954 -6.258 1.00 0.00 N ATOM 1084 CA PRO A 69 5.025 7.080 -7.299 1.00 0.00 C ATOM 1085 C PRO A 69 3.760 6.381 -6.791 1.00 0.00 C ATOM 1086 O PRO A 69 3.800 5.594 -5.867 1.00 0.00 O ATOM 1087 CB PRO A 69 6.142 6.068 -7.568 1.00 0.00 C ATOM 1088 CG PRO A 69 7.038 6.061 -6.307 1.00 0.00 C ATOM 1089 CD PRO A 69 6.778 7.392 -5.576 1.00 0.00 C ATOM 0 HA PRO A 69 4.724 7.624 -8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.730 5.077 -7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.716 6.349 -8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.798 5.213 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.089 5.967 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.588 7.233 -4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.635 8.061 -5.650 1.00 0.00 H new ATOM 1097 N ILE A 70 2.637 6.659 -7.398 1.00 0.00 N ATOM 1098 CA ILE A 70 1.368 6.010 -6.962 1.00 0.00 C ATOM 1099 C ILE A 70 0.954 4.977 -8.012 1.00 0.00 C ATOM 1100 O ILE A 70 0.376 5.308 -9.027 1.00 0.00 O ATOM 1101 CB ILE A 70 0.265 7.062 -6.828 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.843 8.347 -6.229 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.837 6.528 -5.910 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.093 9.518 -6.536 1.00 0.00 C ATOM 0 H ILE A 70 2.544 7.309 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 70 1.520 5.525 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.148 7.277 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.964 8.237 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.833 8.541 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.624 7.276 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.254 5.615 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.419 6.312 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.318 10.433 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.191 9.632 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.074 9.324 -6.101 1.00 0.00 H new ATOM 1116 N ILE A 71 1.251 3.727 -7.783 1.00 0.00 N ATOM 1117 CA ILE A 71 0.879 2.682 -8.777 1.00 0.00 C ATOM 1118 C ILE A 71 -0.514 2.133 -8.460 1.00 0.00 C ATOM 1119 O ILE A 71 -0.722 1.478 -7.458 1.00 0.00 O ATOM 1120 CB ILE A 71 1.898 1.542 -8.721 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.295 2.096 -9.009 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.542 0.486 -9.767 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.328 1.332 -8.179 1.00 0.00 C ATOM 0 H ILE A 71 1.734 3.385 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 71 0.873 3.122 -9.774 1.00 0.00 H new ATOM 0 HB ILE A 71 1.883 1.088 -7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.524 2.001 -10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.333 3.158 -8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.268 -0.326 -9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.546 0.092 -9.562 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.557 0.937 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.323 1.726 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.102 1.450 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.296 0.275 -8.442 1.00 0.00 H new ATOM 1135 N THR A 72 -1.471 2.390 -9.311 1.00 0.00 N ATOM 1136 CA THR A 72 -2.847 1.876 -9.063 1.00 0.00 C ATOM 1137 C THR A 72 -2.985 0.487 -9.693 1.00 0.00 C ATOM 1138 O THR A 72 -2.468 0.227 -10.762 1.00 0.00 O ATOM 1139 CB THR A 72 -3.870 2.826 -9.689 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.456 3.163 -11.006 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.973 4.095 -8.843 1.00 0.00 C ATOM 0 H THR A 72 -1.358 2.934 -10.167 1.00 0.00 H new ATOM 0 HA THR A 72 -3.026 1.812 -7.990 1.00 0.00 H new ATOM 0 HB THR A 72 -4.844 2.339 -9.728 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.960 4.008 -10.987 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.702 4.772 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.290 3.834 -7.833 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.000 4.585 -8.802 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.672 -0.409 -9.041 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.832 -1.779 -9.607 1.00 0.00 C ATOM 1151 C VAL A 73 -5.307 -2.038 -9.921 1.00 0.00 C ATOM 1152 O VAL A 73 -6.179 -1.785 -9.114 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.338 -2.807 -8.588 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.617 -4.217 -9.110 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.832 -2.631 -8.381 1.00 0.00 C ATOM 0 H VAL A 73 -4.129 -0.253 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.250 -1.864 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.858 -2.661 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.265 -4.950 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.689 -4.343 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.096 -4.364 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.477 -3.362 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.315 -2.780 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.631 -1.626 -8.011 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.592 -2.542 -11.092 1.00 0.00 N ATOM 1166 CA ARG A 74 -7.010 -2.820 -11.460 1.00 0.00 C ATOM 1167 C ARG A 74 -7.667 -3.658 -10.360 1.00 0.00 C ATOM 1168 O ARG A 74 -6.989 -4.310 -9.591 1.00 0.00 O ATOM 1169 CB ARG A 74 -7.054 -3.589 -12.782 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.144 -4.815 -12.688 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.126 -5.545 -14.033 1.00 0.00 C ATOM 1172 NE ARG A 74 -7.473 -5.462 -14.663 1.00 0.00 N ATOM 1173 CZ ARG A 74 -8.282 -6.485 -14.608 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -7.812 -7.696 -14.734 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -9.560 -6.297 -14.429 1.00 0.00 N ATOM 0 H ARG A 74 -4.904 -2.773 -11.809 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.548 -1.878 -11.570 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.076 -3.897 -13.002 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.732 -2.945 -13.601 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.134 -4.511 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.498 -5.484 -11.904 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.378 -5.101 -14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.844 -6.588 -13.889 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.763 -4.607 -15.137 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.813 -7.843 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.444 -8.495 -14.691 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.928 -5.350 -14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.192 -7.096 -14.386 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.975 -3.610 -10.317 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.764 -4.354 -9.321 1.00 0.00 C ATOM 1191 C PRO A 75 -9.889 -5.825 -9.726 1.00 0.00 C ATOM 1192 O PRO A 75 -9.546 -6.209 -10.827 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.129 -3.662 -9.358 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.227 -2.964 -10.736 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.786 -2.810 -11.258 1.00 0.00 C ATOM 0 HA PRO A 75 -9.314 -4.350 -8.328 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.935 -4.385 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.220 -2.938 -8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.828 -3.555 -11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.711 -1.992 -10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.690 -3.178 -12.279 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.474 -1.766 -11.265 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.382 -6.651 -8.844 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.531 -8.095 -9.177 1.00 0.00 C ATOM 1205 C TYR A 76 -11.832 -8.307 -9.954 1.00 0.00 C ATOM 1206 O TYR A 76 -12.247 -9.423 -10.195 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.569 -8.913 -7.886 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.620 -10.383 -8.223 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.437 -11.076 -8.512 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.850 -11.056 -8.247 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.484 -12.441 -8.826 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.896 -12.420 -8.562 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.714 -13.113 -8.851 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.760 -14.457 -9.161 1.00 0.00 O ATOM 0 H TYR A 76 -10.688 -6.388 -7.907 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.687 -8.417 -9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.688 -8.698 -7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.440 -8.635 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.489 -10.558 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.762 -10.523 -8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.572 -12.975 -9.049 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.844 -12.938 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.689 -14.768 -9.133 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.481 -7.246 -10.348 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.754 -7.388 -11.107 1.00 0.00 C ATOM 1226 C GLY A 77 -14.876 -6.667 -10.359 1.00 0.00 C ATOM 1227 O GLY A 77 -15.755 -7.284 -9.791 1.00 0.00 O ATOM 0 H GLY A 77 -12.184 -6.286 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.642 -6.970 -12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.002 -8.442 -11.228 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.853 -5.361 -10.354 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.919 -4.602 -9.640 1.00 0.00 C ATOM 1233 C LEU A 78 -16.109 -3.237 -10.305 1.00 0.00 C ATOM 1234 O LEU A 78 -15.585 -2.237 -9.853 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.509 -4.404 -8.180 1.00 0.00 C ATOM 1236 CG LEU A 78 -16.552 -5.045 -7.265 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -16.132 -6.478 -6.935 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.659 -4.235 -5.971 1.00 0.00 C ATOM 0 H LEU A 78 -14.144 -4.789 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.854 -5.160 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.531 -4.851 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.419 -3.341 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.518 -5.058 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.876 -6.934 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.054 -7.056 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.166 -6.467 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.402 -4.691 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.692 -4.223 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.959 -3.213 -6.205 1.00 0.00 H new ATOM 1250 N GLU A 79 -16.855 -3.185 -11.373 1.00 0.00 N ATOM 1251 CA GLU A 79 -17.079 -1.884 -12.062 1.00 0.00 C ATOM 1252 C GLU A 79 -15.788 -1.445 -12.755 1.00 0.00 C ATOM 1253 O GLU A 79 -14.727 -1.429 -12.163 1.00 0.00 O ATOM 1254 CB GLU A 79 -17.489 -0.827 -11.035 1.00 0.00 C ATOM 1255 CG GLU A 79 -18.463 -1.442 -10.029 1.00 0.00 C ATOM 1256 CD GLU A 79 -19.479 -0.385 -9.591 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -20.485 -0.243 -10.265 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -19.233 0.265 -8.588 1.00 0.00 O ATOM 0 H GLU A 79 -17.319 -3.987 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.870 -1.998 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.608 -0.446 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -17.955 0.021 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -18.977 -2.292 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.918 -1.819 -9.163 1.00 0.00 H new ATOM 1265 N ASN A 80 -15.872 -1.087 -14.006 1.00 0.00 N ATOM 1266 CA ASN A 80 -14.652 -0.646 -14.738 1.00 0.00 C ATOM 1267 C ASN A 80 -14.052 0.575 -14.040 1.00 0.00 C ATOM 1268 O ASN A 80 -14.755 1.480 -13.636 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.028 -0.279 -16.175 1.00 0.00 C ATOM 1270 CG ASN A 80 -16.260 0.629 -16.164 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.677 1.093 -15.122 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -16.866 0.902 -17.287 1.00 0.00 N ATOM 0 H ASN A 80 -16.733 -1.081 -14.553 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.920 -1.454 -14.747 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -14.195 0.227 -16.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.233 -1.182 -16.750 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.689 1.505 -17.289 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.517 0.513 -18.163 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.755 0.610 -13.893 1.00 0.00 N ATOM 1280 CA VAL A 81 -12.112 1.775 -13.222 1.00 0.00 C ATOM 1281 C VAL A 81 -12.251 3.016 -14.111 1.00 0.00 C ATOM 1282 O VAL A 81 -12.137 2.924 -15.318 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.629 1.472 -12.995 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.954 2.673 -12.331 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -10.492 0.247 -12.088 1.00 0.00 C ATOM 0 H VAL A 81 -12.114 -0.118 -14.209 1.00 0.00 H new ATOM 0 HA VAL A 81 -12.597 1.960 -12.264 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.151 1.272 -13.954 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.898 2.454 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.050 3.547 -12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.432 2.875 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.436 0.031 -11.926 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.972 0.448 -11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.970 -0.611 -12.561 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.497 4.142 -13.489 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.659 5.423 -14.201 1.00 0.00 C ATOM 1297 C PRO A 82 -11.292 5.992 -14.595 1.00 0.00 C ATOM 1298 O PRO A 82 -10.292 5.681 -13.980 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.347 6.321 -13.169 1.00 0.00 C ATOM 1300 CG PRO A 82 -13.032 5.714 -11.782 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.635 4.246 -12.022 1.00 0.00 C ATOM 0 HA PRO A 82 -13.228 5.331 -15.126 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.978 7.344 -13.238 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.423 6.357 -13.342 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.223 6.259 -11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.900 5.778 -11.125 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.702 3.998 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.394 3.561 -11.644 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.294 6.815 -15.614 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.067 7.451 -16.121 1.00 0.00 C ATOM 1311 C PRO A 83 -9.666 8.625 -15.222 1.00 0.00 C ATOM 1312 O PRO A 83 -8.590 9.175 -15.346 1.00 0.00 O ATOM 1313 CB PRO A 83 -10.467 7.939 -17.516 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.009 8.069 -17.509 1.00 0.00 C ATOM 1315 CD PRO A 83 -12.519 7.185 -16.353 1.00 0.00 C ATOM 0 HA PRO A 83 -9.209 6.779 -16.142 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.998 8.897 -17.742 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.140 7.236 -18.282 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.310 9.107 -17.365 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.430 7.744 -18.460 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.220 7.726 -15.717 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.041 6.304 -16.726 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.523 9.009 -14.317 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.190 10.143 -13.409 1.00 0.00 C ATOM 1325 C GLU A 84 -9.056 9.724 -12.472 1.00 0.00 C ATOM 1326 O GLU A 84 -8.420 10.547 -11.844 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.425 10.515 -12.584 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.074 11.769 -13.173 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.397 12.046 -12.457 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -14.005 11.096 -11.991 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -13.780 13.202 -12.388 1.00 0.00 O ATOM 0 H GLU A 84 -11.439 8.587 -14.167 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.876 11.004 -13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.137 9.690 -12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.142 10.692 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.405 12.622 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.248 11.634 -14.241 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.798 8.449 -12.373 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.705 7.976 -11.478 1.00 0.00 C ATOM 1340 C LEU A 85 -6.412 7.827 -12.283 1.00 0.00 C ATOM 1341 O LEU A 85 -5.330 7.782 -11.734 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.089 6.623 -10.874 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.878 6.022 -10.156 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -6.491 6.911 -8.973 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -7.231 4.622 -9.648 1.00 0.00 C ATOM 0 H LEU A 85 -9.297 7.714 -12.874 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.552 8.701 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.916 6.747 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.433 5.948 -11.657 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.040 5.958 -10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.629 6.482 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.240 7.908 -9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.328 6.977 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.370 4.193 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.069 4.687 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.506 3.988 -10.491 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.515 7.746 -13.582 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.290 7.599 -14.419 1.00 0.00 C ATOM 1359 C GLU A 86 -4.610 8.961 -14.577 1.00 0.00 C ATOM 1360 O GLU A 86 -3.423 9.047 -14.818 1.00 0.00 O ATOM 1361 CB GLU A 86 -5.674 7.056 -15.798 1.00 0.00 C ATOM 1362 CG GLU A 86 -4.753 5.891 -16.163 1.00 0.00 C ATOM 1363 CD GLU A 86 -5.487 4.567 -15.935 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -5.409 4.052 -14.832 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.116 4.094 -16.867 1.00 0.00 O ATOM 0 H GLU A 86 -7.394 7.775 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.603 6.905 -13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.712 6.725 -15.794 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.594 7.845 -16.546 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.443 5.972 -17.205 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.848 5.926 -15.557 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.352 10.026 -14.445 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.744 11.379 -14.588 1.00 0.00 C ATOM 1374 C ALA A 87 -3.877 11.678 -13.364 1.00 0.00 C ATOM 1375 O ALA A 87 -2.986 12.504 -13.409 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.851 12.428 -14.699 1.00 0.00 C ATOM 0 H ALA A 87 -6.352 10.018 -14.244 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.128 11.408 -15.486 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.406 13.417 -14.804 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.469 12.214 -15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.469 12.401 -13.801 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.131 11.013 -12.271 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.320 11.258 -11.045 1.00 0.00 C ATOM 1384 C VAL A 88 -2.485 10.014 -10.727 1.00 0.00 C ATOM 1385 O VAL A 88 -1.740 9.983 -9.769 1.00 0.00 O ATOM 1386 CB VAL A 88 -4.251 11.565 -9.871 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -5.297 12.595 -10.304 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.957 10.281 -9.425 1.00 0.00 C ATOM 0 H VAL A 88 -4.865 10.311 -12.174 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.656 12.106 -11.212 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.666 11.965 -9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.960 12.814 -9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.797 13.511 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.880 12.195 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.620 10.502 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.540 9.880 -10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.214 9.546 -9.115 1.00 0.00 H new ATOM 1398 N SER A 89 -2.604 8.987 -11.526 1.00 0.00 N ATOM 1399 CA SER A 89 -1.817 7.749 -11.270 1.00 0.00 C ATOM 1400 C SER A 89 -0.546 7.768 -12.122 1.00 0.00 C ATOM 1401 O SER A 89 -0.578 8.101 -13.290 1.00 0.00 O ATOM 1402 CB SER A 89 -2.658 6.527 -11.635 1.00 0.00 C ATOM 1403 OG SER A 89 -1.982 5.349 -11.213 1.00 0.00 O ATOM 0 H SER A 89 -3.212 8.953 -12.344 1.00 0.00 H new ATOM 0 HA SER A 89 -1.546 7.701 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.637 6.589 -11.159 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.829 6.497 -12.711 1.00 0.00 H new ATOM 0 HG SER A 89 -1.546 4.929 -11.983 1.00 0.00 H new ATOM 1409 N SER A 90 0.571 7.414 -11.549 1.00 0.00 N ATOM 1410 CA SER A 90 1.840 7.412 -12.330 1.00 0.00 C ATOM 1411 C SER A 90 1.887 6.170 -13.222 1.00 0.00 C ATOM 1412 O SER A 90 2.428 6.195 -14.309 1.00 0.00 O ATOM 1413 CB SER A 90 3.030 7.396 -11.370 1.00 0.00 C ATOM 1414 OG SER A 90 3.530 8.718 -11.218 1.00 0.00 O ATOM 0 H SER A 90 0.660 7.126 -10.574 1.00 0.00 H new ATOM 0 HA SER A 90 1.886 8.307 -12.950 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.726 6.997 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.812 6.741 -11.754 1.00 0.00 H new ATOM 0 HG SER A 90 4.292 8.711 -10.602 1.00 0.00 H new ATOM 1420 N GLU A 91 1.323 5.082 -12.771 1.00 0.00 N ATOM 1421 CA GLU A 91 1.339 3.840 -13.594 1.00 0.00 C ATOM 1422 C GLU A 91 0.232 2.897 -13.118 1.00 0.00 C ATOM 1423 O GLU A 91 -0.371 3.104 -12.083 1.00 0.00 O ATOM 1424 CB GLU A 91 2.695 3.149 -13.447 1.00 0.00 C ATOM 1425 CG GLU A 91 3.487 3.299 -14.748 1.00 0.00 C ATOM 1426 CD GLU A 91 3.467 1.975 -15.514 1.00 0.00 C ATOM 1427 OE1 GLU A 91 2.390 1.425 -15.678 1.00 0.00 O ATOM 1428 OE2 GLU A 91 4.528 1.535 -15.924 1.00 0.00 O ATOM 0 H GLU A 91 0.853 5.000 -11.870 1.00 0.00 H new ATOM 0 HA GLU A 91 1.173 4.096 -14.640 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.251 3.587 -12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.554 2.094 -13.214 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.055 4.091 -15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.515 3.589 -14.529 1.00 0.00 H new ATOM 1435 N VAL A 92 -0.040 1.862 -13.865 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.107 0.906 -13.455 1.00 0.00 C ATOM 1437 C VAL A 92 -0.570 -0.523 -13.538 1.00 0.00 C ATOM 1438 O VAL A 92 0.368 -0.805 -14.257 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.309 1.052 -14.391 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.680 2.530 -14.518 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.949 0.497 -15.771 1.00 0.00 C ATOM 0 H VAL A 92 0.431 1.637 -14.742 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.414 1.121 -12.431 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.156 0.499 -13.985 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.536 2.634 -15.185 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.935 2.927 -13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.834 3.084 -14.925 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.804 0.600 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.103 1.051 -16.177 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.683 -0.556 -15.682 1.00 0.00 H new ATOM 1451 N VAL A 93 -1.156 -1.431 -12.804 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.677 -2.843 -12.841 1.00 0.00 C ATOM 1453 C VAL A 93 -1.877 -3.788 -12.916 1.00 0.00 C ATOM 1454 O VAL A 93 -2.971 -3.450 -12.509 1.00 0.00 O ATOM 1455 CB VAL A 93 0.128 -3.141 -11.575 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.087 -4.302 -11.841 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.930 -1.900 -11.177 1.00 0.00 C ATOM 0 H VAL A 93 -1.945 -1.256 -12.181 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.045 -2.989 -13.717 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.553 -3.410 -10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.661 -4.514 -10.939 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.517 -5.187 -12.125 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.768 -4.034 -12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.504 -2.112 -10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.610 -1.632 -11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.248 -1.071 -10.987 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.683 -4.970 -13.433 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.814 -5.934 -13.533 1.00 0.00 C ATOM 1469 C GLY A 94 -2.515 -7.166 -12.679 1.00 0.00 C ATOM 1470 O GLY A 94 -1.752 -7.109 -11.734 1.00 0.00 O ATOM 0 H GLY A 94 -0.790 -5.310 -13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.738 -5.462 -13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.964 -6.227 -14.572 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.110 -8.282 -13.000 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.859 -9.516 -12.206 1.00 0.00 C ATOM 1476 C TRP A 95 -1.656 -10.261 -12.787 1.00 0.00 C ATOM 1477 O TRP A 95 -1.628 -11.475 -12.835 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.095 -10.418 -12.260 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.154 -9.866 -11.360 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.289 -9.259 -11.779 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.197 -9.858 -9.904 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -7.027 -8.880 -10.671 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.396 -9.226 -9.493 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.320 -10.332 -8.908 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.714 -9.071 -8.142 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.637 -10.178 -7.548 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.831 -9.548 -7.167 1.00 0.00 C ATOM 0 H TRP A 95 -3.760 -8.392 -13.779 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.652 -9.246 -11.170 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.468 -10.481 -13.282 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.833 -11.431 -11.953 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.572 -9.097 -12.809 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.927 -8.403 -10.719 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.398 -10.817 -9.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.635 -8.587 -7.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.959 -10.546 -6.793 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.069 -9.431 -6.120 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.659 -9.543 -13.229 1.00 0.00 N ATOM 1499 CA ASN A 96 0.541 -10.211 -13.806 1.00 0.00 C ATOM 1500 C ASN A 96 1.730 -10.032 -12.856 1.00 0.00 C ATOM 1501 O ASN A 96 1.820 -9.042 -12.159 1.00 0.00 O ATOM 1502 CB ASN A 96 0.873 -9.582 -15.162 1.00 0.00 C ATOM 1503 CG ASN A 96 0.038 -10.255 -16.252 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.151 -10.026 -16.351 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.614 -11.081 -17.081 1.00 0.00 N ATOM 0 H ASN A 96 -0.624 -8.524 -13.215 1.00 0.00 H new ATOM 0 HA ASN A 96 0.337 -11.274 -13.938 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.667 -8.512 -15.139 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.935 -9.697 -15.379 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.066 -11.534 -17.812 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.612 -11.273 -16.998 1.00 0.00 H new ATOM 1512 N PRO A 97 2.606 -11.005 -12.859 1.00 0.00 N ATOM 1513 CA PRO A 97 3.807 -10.995 -12.005 1.00 0.00 C ATOM 1514 C PRO A 97 4.881 -10.080 -12.600 1.00 0.00 C ATOM 1515 O PRO A 97 5.217 -9.055 -12.041 1.00 0.00 O ATOM 1516 CB PRO A 97 4.265 -12.455 -12.013 1.00 0.00 C ATOM 1517 CG PRO A 97 3.665 -13.094 -13.288 1.00 0.00 C ATOM 1518 CD PRO A 97 2.482 -12.204 -13.713 1.00 0.00 C ATOM 0 HA PRO A 97 3.615 -10.620 -11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.353 -12.521 -12.021 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.921 -12.975 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.411 -13.151 -14.081 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.332 -14.113 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.537 -11.947 -14.771 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.528 -12.708 -13.556 1.00 0.00 H new ATOM 1526 N HIS A 98 5.424 -10.444 -13.728 1.00 0.00 N ATOM 1527 CA HIS A 98 6.476 -9.599 -14.358 1.00 0.00 C ATOM 1528 C HIS A 98 6.047 -8.130 -14.323 1.00 0.00 C ATOM 1529 O HIS A 98 6.865 -7.237 -14.222 1.00 0.00 O ATOM 1530 CB HIS A 98 6.677 -10.036 -15.810 1.00 0.00 C ATOM 1531 CG HIS A 98 8.126 -10.361 -16.043 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.556 -11.645 -16.341 1.00 0.00 N ATOM 1533 CD2 HIS A 98 9.256 -9.581 -16.028 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.893 -11.599 -16.492 1.00 0.00 C ATOM 1535 NE2 HIS A 98 10.370 -10.364 -16.312 1.00 0.00 N ATOM 0 H HIS A 98 5.184 -11.292 -14.242 1.00 0.00 H new ATOM 0 HA HIS A 98 7.410 -9.715 -13.808 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.059 -10.907 -16.027 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.358 -9.243 -16.486 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.277 -8.520 -15.826 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.506 -12.456 -16.730 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.342 -10.061 -16.370 1.00 0.00 H new ATOM 1543 N CYS A 99 4.771 -7.873 -14.411 1.00 0.00 N ATOM 1544 CA CYS A 99 4.291 -6.463 -14.390 1.00 0.00 C ATOM 1545 C CYS A 99 4.652 -5.811 -13.052 1.00 0.00 C ATOM 1546 O CYS A 99 5.253 -4.759 -13.007 1.00 0.00 O ATOM 1547 CB CYS A 99 2.772 -6.438 -14.573 1.00 0.00 C ATOM 1548 SG CYS A 99 2.348 -5.315 -15.928 1.00 0.00 S ATOM 0 H CYS A 99 4.040 -8.579 -14.497 1.00 0.00 H new ATOM 0 HA CYS A 99 4.767 -5.911 -15.200 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.404 -7.441 -14.789 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.289 -6.113 -13.652 1.00 0.00 H new ATOM 0 HG CYS A 99 1.058 -5.294 -16.087 1.00 0.00 H new ATOM 1554 N ILE A 100 4.284 -6.426 -11.961 1.00 0.00 N ATOM 1555 CA ILE A 100 4.601 -5.836 -10.629 1.00 0.00 C ATOM 1556 C ILE A 100 6.106 -5.577 -10.516 1.00 0.00 C ATOM 1557 O ILE A 100 6.544 -4.752 -9.738 1.00 0.00 O ATOM 1558 CB ILE A 100 4.173 -6.810 -9.530 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.646 -6.890 -9.489 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.691 -6.316 -8.178 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.214 -7.823 -8.357 1.00 0.00 C ATOM 0 H ILE A 100 3.778 -7.311 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 100 4.065 -4.893 -10.519 1.00 0.00 H new ATOM 0 HB ILE A 100 4.586 -7.797 -9.739 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.223 -5.897 -9.337 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.265 -7.257 -10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.386 -7.011 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.779 -6.256 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.278 -5.329 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.126 -7.880 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.625 -8.818 -8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.583 -7.437 -7.407 1.00 0.00 H new ATOM 1573 N ARG A 101 6.900 -6.279 -11.276 1.00 0.00 N ATOM 1574 CA ARG A 101 8.376 -6.075 -11.200 1.00 0.00 C ATOM 1575 C ARG A 101 8.751 -4.725 -11.821 1.00 0.00 C ATOM 1576 O ARG A 101 9.169 -3.812 -11.137 1.00 0.00 O ATOM 1577 CB ARG A 101 9.084 -7.199 -11.960 1.00 0.00 C ATOM 1578 CG ARG A 101 10.232 -7.748 -11.109 1.00 0.00 C ATOM 1579 CD ARG A 101 10.480 -9.214 -11.470 1.00 0.00 C ATOM 1580 NE ARG A 101 9.963 -10.089 -10.382 1.00 0.00 N ATOM 1581 CZ ARG A 101 10.495 -11.264 -10.181 1.00 0.00 C ATOM 1582 NH1 ARG A 101 11.594 -11.373 -9.486 1.00 0.00 N ATOM 1583 NH2 ARG A 101 9.929 -12.331 -10.676 1.00 0.00 N ATOM 0 H ARG A 101 6.592 -6.984 -11.946 1.00 0.00 H new ATOM 0 HA ARG A 101 8.685 -6.086 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.377 -7.995 -12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.468 -6.825 -12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.136 -7.163 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.988 -7.659 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.986 -9.456 -12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.546 -9.388 -11.615 1.00 0.00 H new ATOM 0 HE ARG A 101 9.193 -9.770 -9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.038 -10.540 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.009 -12.291 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.070 -12.247 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.345 -13.249 -10.519 1.00 0.00 H new ATOM 1597 N ASP A 102 8.618 -4.595 -13.113 1.00 0.00 N ATOM 1598 CA ASP A 102 8.980 -3.310 -13.780 1.00 0.00 C ATOM 1599 C ASP A 102 8.215 -2.151 -13.134 1.00 0.00 C ATOM 1600 O ASP A 102 8.670 -1.025 -13.129 1.00 0.00 O ATOM 1601 CB ASP A 102 8.622 -3.389 -15.265 1.00 0.00 C ATOM 1602 CG ASP A 102 9.870 -3.125 -16.109 1.00 0.00 C ATOM 1603 OD1 ASP A 102 10.957 -3.176 -15.558 1.00 0.00 O ATOM 1604 OD2 ASP A 102 9.717 -2.878 -17.295 1.00 0.00 O ATOM 0 H ASP A 102 8.274 -5.324 -13.737 1.00 0.00 H new ATOM 0 HA ASP A 102 10.051 -3.139 -13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.214 -4.372 -15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.849 -2.658 -15.502 1.00 0.00 H new ATOM 1609 N ALA A 103 7.058 -2.415 -12.592 1.00 0.00 N ATOM 1610 CA ALA A 103 6.271 -1.323 -11.953 1.00 0.00 C ATOM 1611 C ALA A 103 7.002 -0.833 -10.703 1.00 0.00 C ATOM 1612 O ALA A 103 7.237 0.347 -10.531 1.00 0.00 O ATOM 1613 CB ALA A 103 4.889 -1.852 -11.562 1.00 0.00 C ATOM 0 H ALA A 103 6.624 -3.338 -12.564 1.00 0.00 H new ATOM 0 HA ALA A 103 6.158 -0.497 -12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.313 -1.054 -11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.368 -2.202 -12.453 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.001 -2.678 -10.860 1.00 0.00 H new ATOM 1619 N LEU A 104 7.368 -1.729 -9.828 1.00 0.00 N ATOM 1620 CA LEU A 104 8.085 -1.313 -8.592 1.00 0.00 C ATOM 1621 C LEU A 104 9.513 -0.900 -8.952 1.00 0.00 C ATOM 1622 O LEU A 104 10.205 -0.273 -8.175 1.00 0.00 O ATOM 1623 CB LEU A 104 8.126 -2.482 -7.607 1.00 0.00 C ATOM 1624 CG LEU A 104 9.025 -2.120 -6.425 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.448 -2.717 -5.140 1.00 0.00 C ATOM 1626 CD2 LEU A 104 10.427 -2.682 -6.664 1.00 0.00 C ATOM 0 H LEU A 104 7.201 -2.731 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 104 7.565 -0.472 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.120 -2.711 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.502 -3.377 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 104 9.078 -1.036 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.090 -2.458 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.448 -2.317 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.394 -3.802 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.070 -2.425 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.373 -3.766 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.839 -2.256 -7.579 1.00 0.00 H new ATOM 1638 N GLU A 105 9.959 -1.248 -10.129 1.00 0.00 N ATOM 1639 CA GLU A 105 11.340 -0.877 -10.546 1.00 0.00 C ATOM 1640 C GLU A 105 11.396 0.626 -10.830 1.00 0.00 C ATOM 1641 O GLU A 105 12.421 1.259 -10.676 1.00 0.00 O ATOM 1642 CB GLU A 105 11.711 -1.650 -11.813 1.00 0.00 C ATOM 1643 CG GLU A 105 13.191 -1.436 -12.129 1.00 0.00 C ATOM 1644 CD GLU A 105 13.566 -2.243 -13.374 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.450 -3.456 -13.325 1.00 0.00 O ATOM 1646 OE2 GLU A 105 13.962 -1.634 -14.352 1.00 0.00 O ATOM 0 H GLU A 105 9.425 -1.774 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 105 12.043 -1.124 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.508 -2.712 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.098 -1.314 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.390 -0.377 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.804 -1.746 -11.283 1.00 0.00 H new ATOM 1653 N ASP A 106 10.299 1.198 -11.242 1.00 0.00 N ATOM 1654 CA ASP A 106 10.284 2.658 -11.538 1.00 0.00 C ATOM 1655 C ASP A 106 10.452 3.445 -10.238 1.00 0.00 C ATOM 1656 O ASP A 106 10.691 4.636 -10.248 1.00 0.00 O ATOM 1657 CB ASP A 106 8.949 3.030 -12.186 1.00 0.00 C ATOM 1658 CG ASP A 106 9.166 4.156 -13.198 1.00 0.00 C ATOM 1659 OD1 ASP A 106 9.816 5.125 -12.844 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.678 4.028 -14.309 1.00 0.00 O ATOM 0 H ASP A 106 9.411 0.717 -11.387 1.00 0.00 H new ATOM 0 HA ASP A 106 11.102 2.899 -12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.519 2.160 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.238 3.346 -11.422 1.00 0.00 H new ATOM 1665 N ALA A 107 10.325 2.790 -9.117 1.00 0.00 N ATOM 1666 CA ALA A 107 10.476 3.503 -7.818 1.00 0.00 C ATOM 1667 C ALA A 107 11.927 3.955 -7.647 1.00 0.00 C ATOM 1668 O ALA A 107 12.209 5.128 -7.496 1.00 0.00 O ATOM 1669 CB ALA A 107 10.094 2.562 -6.673 1.00 0.00 C ATOM 0 H ALA A 107 10.123 1.793 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 107 9.823 4.375 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.204 3.083 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.059 2.243 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.747 1.689 -6.686 1.00 0.00 H new ATOM 1675 N LEU A 108 12.851 3.034 -7.665 1.00 0.00 N ATOM 1676 CA LEU A 108 14.283 3.410 -7.500 1.00 0.00 C ATOM 1677 C LEU A 108 14.819 3.992 -8.811 1.00 0.00 C ATOM 1678 O LEU A 108 15.981 4.329 -8.920 1.00 0.00 O ATOM 1679 CB LEU A 108 15.094 2.168 -7.126 1.00 0.00 C ATOM 1680 CG LEU A 108 15.629 2.317 -5.701 1.00 0.00 C ATOM 1681 CD1 LEU A 108 14.871 1.371 -4.768 1.00 0.00 C ATOM 1682 CD2 LEU A 108 17.118 1.966 -5.678 1.00 0.00 C ATOM 0 H LEU A 108 12.676 2.037 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 108 14.372 4.157 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.470 1.277 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.921 2.037 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 108 15.490 3.345 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.253 1.478 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.809 1.617 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.010 0.343 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.501 2.072 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.255 0.938 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.661 2.638 -6.342 1.00 0.00 H new ATOM 1694 N ASP A 109 13.984 4.114 -9.808 1.00 0.00 N ATOM 1695 CA ASP A 109 14.454 4.674 -11.106 1.00 0.00 C ATOM 1696 C ASP A 109 14.499 6.200 -11.018 1.00 0.00 C ATOM 1697 O ASP A 109 13.774 6.809 -10.256 1.00 0.00 O ATOM 1698 CB ASP A 109 13.492 4.255 -12.220 1.00 0.00 C ATOM 1699 CG ASP A 109 14.278 4.015 -13.510 1.00 0.00 C ATOM 1700 OD1 ASP A 109 15.243 4.725 -13.733 1.00 0.00 O ATOM 1701 OD2 ASP A 109 13.900 3.123 -14.253 1.00 0.00 O ATOM 0 H ASP A 109 12.999 3.850 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 109 15.452 4.294 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.959 3.349 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.742 5.030 -12.378 1.00 0.00 H new ATOM 1706 N VAL A 110 15.349 6.825 -11.788 1.00 0.00 N ATOM 1707 CA VAL A 110 15.442 8.312 -11.743 1.00 0.00 C ATOM 1708 C VAL A 110 14.493 8.921 -12.778 1.00 0.00 C ATOM 1709 O VAL A 110 14.344 10.124 -12.864 1.00 0.00 O ATOM 1710 CB VAL A 110 16.877 8.742 -12.052 1.00 0.00 C ATOM 1711 CG1 VAL A 110 17.819 8.179 -10.986 1.00 0.00 C ATOM 1712 CG2 VAL A 110 17.286 8.207 -13.425 1.00 0.00 C ATOM 0 H VAL A 110 15.982 6.370 -12.446 1.00 0.00 H new ATOM 0 HA VAL A 110 15.162 8.661 -10.749 1.00 0.00 H new ATOM 0 HB VAL A 110 16.937 9.830 -12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 110 18.842 8.485 -11.206 1.00 0.00 H new ATOM 0 HG12 VAL A 110 17.529 8.559 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 110 17.758 7.091 -10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 110 18.309 8.514 -13.645 1.00 0.00 H new ATOM 0 HG22 VAL A 110 17.226 7.119 -13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 110 16.616 8.607 -14.186 1.00 0.00 H new ATOM 1722 N ILE A 111 13.849 8.104 -13.567 1.00 0.00 N ATOM 1723 CA ILE A 111 12.911 8.646 -14.592 1.00 0.00 C ATOM 1724 C ILE A 111 11.472 8.490 -14.098 1.00 0.00 C ATOM 1725 O ILE A 111 10.571 8.607 -14.913 1.00 0.00 O ATOM 1726 CB ILE A 111 13.087 7.880 -15.905 1.00 0.00 C ATOM 1727 CG1 ILE A 111 13.128 6.378 -15.618 1.00 0.00 C ATOM 1728 CG2 ILE A 111 14.393 8.308 -16.574 1.00 0.00 C ATOM 1729 CD1 ILE A 111 12.316 5.634 -16.680 1.00 0.00 C ATOM 1730 OXT ILE A 111 11.294 8.257 -12.915 1.00 0.00 O ATOM 0 H ILE A 111 13.931 7.088 -13.547 1.00 0.00 H new ATOM 0 HA ILE A 111 13.126 9.702 -14.758 1.00 0.00 H new ATOM 0 HB ILE A 111 12.251 8.100 -16.569 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.159 6.025 -15.619 1.00 0.00 H new ATOM 0 HG13 ILE A 111 12.723 6.175 -14.627 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.519 7.762 -17.509 1.00 0.00 H new ATOM 0 HG22 ILE A 111 14.363 9.378 -16.779 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.230 8.089 -15.911 1.00 0.00 H new ATOM 0 HD11 ILE A 111 12.345 4.564 -16.476 1.00 0.00 H new ATOM 0 HD12 ILE A 111 11.283 5.980 -16.657 1.00 0.00 H new ATOM 0 HD13 ILE A 111 12.741 5.827 -17.665 1.00 0.00 H new TER 1742 ILE A 111