USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 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 Single : A 13 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 16 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.8) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.13 F(o=-0.94,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 11:sc= 0.148 USER MOD Single : A 23 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.473 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 26 ASN : amide:sc= -8.78! C(o=-8.8!,f=-10!) USER MOD Single : A 28 THR OG1 : rot 164:sc= -2.11! USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc=-0.00935 X(o=-0.0094,f=-0.0076) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.0906 X(o=0.091,f=-0.062) USER MOD Single : A 64 ASN : amide:sc= 0.247 K(o=0.25,f=-0.33) USER MOD Single : A 66 TYR OH : rot -6:sc= -1.83! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.146 2.780 5.772 1.00 0.00 N ATOM 2 CA GLY A 10 10.128 3.793 5.993 1.00 0.00 C ATOM 3 C GLY A 10 9.292 4.087 4.760 1.00 0.00 C ATOM 4 O GLY A 10 8.486 3.252 4.346 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.471 3.467 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.608 4.713 6.325 1.00 0.00 H new ATOM 8 N PRO A 11 9.440 5.282 4.165 1.00 0.00 N ATOM 9 CA PRO A 11 8.712 5.663 2.952 1.00 0.00 C ATOM 10 C PRO A 11 9.130 4.841 1.737 1.00 0.00 C ATOM 11 O PRO A 11 10.105 4.089 1.778 1.00 0.00 O ATOM 12 CB PRO A 11 9.081 7.138 2.740 1.00 0.00 C ATOM 13 CG PRO A 11 9.690 7.583 4.026 1.00 0.00 C ATOM 14 CD PRO A 11 10.318 6.363 4.631 1.00 0.00 C ATOM 0 HA PRO A 11 7.641 5.492 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.782 7.253 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.200 7.732 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.434 8.361 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.935 8.003 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.345 6.225 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.347 6.420 5.719 1.00 0.00 H new ATOM 22 N PHE A 12 8.388 4.997 0.654 1.00 0.00 N ATOM 23 CA PHE A 12 8.640 4.247 -0.566 1.00 0.00 C ATOM 24 C PHE A 12 8.549 5.147 -1.791 1.00 0.00 C ATOM 25 O PHE A 12 8.435 6.370 -1.675 1.00 0.00 O ATOM 26 CB PHE A 12 7.652 3.076 -0.690 1.00 0.00 C ATOM 27 CG PHE A 12 6.194 3.455 -0.570 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.673 3.898 0.636 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.342 3.349 -1.658 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.337 4.231 0.753 1.00 0.00 C ATOM 31 CE2 PHE A 12 4.006 3.683 -1.542 1.00 0.00 C ATOM 32 CZ PHE A 12 3.506 4.123 -0.337 1.00 0.00 C ATOM 0 H PHE A 12 7.600 5.642 0.594 1.00 0.00 H new ATOM 0 HA PHE A 12 9.653 3.848 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.807 2.590 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.885 2.340 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.320 3.984 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.726 3.002 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.946 4.576 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.353 3.599 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.462 4.383 -0.248 1.00 0.00 H new ATOM 42 N THR A 13 8.630 4.533 -2.960 1.00 0.00 N ATOM 43 CA THR A 13 8.474 5.242 -4.215 1.00 0.00 C ATOM 44 C THR A 13 7.332 4.621 -5.002 1.00 0.00 C ATOM 45 O THR A 13 6.752 3.626 -4.567 1.00 0.00 O ATOM 46 CB THR A 13 9.760 5.179 -5.067 1.00 0.00 C ATOM 47 OG1 THR A 13 9.953 3.851 -5.587 1.00 0.00 O ATOM 48 CG2 THR A 13 10.970 5.567 -4.238 1.00 0.00 C ATOM 0 H THR A 13 8.805 3.533 -3.064 1.00 0.00 H new ATOM 0 HA THR A 13 8.264 6.287 -3.988 1.00 0.00 H new ATOM 0 HB THR A 13 9.649 5.881 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.771 3.827 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.866 5.516 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.844 6.583 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.070 4.881 -3.397 1.00 0.00 H new ATOM 56 N ARG A 14 7.030 5.177 -6.165 1.00 0.00 N ATOM 57 CA ARG A 14 6.001 4.611 -7.022 1.00 0.00 C ATOM 58 C ARG A 14 6.422 3.216 -7.457 1.00 0.00 C ATOM 59 O ARG A 14 5.650 2.265 -7.385 1.00 0.00 O ATOM 60 CB ARG A 14 5.780 5.485 -8.251 1.00 0.00 C ATOM 61 CG ARG A 14 4.499 5.154 -8.996 1.00 0.00 C ATOM 62 CD ARG A 14 4.330 6.015 -10.236 1.00 0.00 C ATOM 63 NE ARG A 14 3.124 5.663 -10.978 1.00 0.00 N ATOM 64 CZ ARG A 14 3.127 5.182 -12.219 1.00 0.00 C ATOM 65 NH1 ARG A 14 4.273 5.033 -12.874 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.986 4.859 -12.812 1.00 0.00 N ATOM 0 H ARG A 14 7.480 6.014 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 14 5.067 4.561 -6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.755 6.531 -7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.627 5.370 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.506 4.102 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.645 5.299 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.286 7.065 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.201 5.899 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 14 2.223 5.794 -10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.153 5.287 -12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.273 4.664 -13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.102 4.979 -12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.992 4.491 -13.763 1.00 0.00 H new ATOM 80 N ARG A 15 7.671 3.118 -7.892 1.00 0.00 N ATOM 81 CA ARG A 15 8.258 1.855 -8.316 1.00 0.00 C ATOM 82 C ARG A 15 8.186 0.812 -7.201 1.00 0.00 C ATOM 83 O ARG A 15 7.760 -0.321 -7.431 1.00 0.00 O ATOM 84 CB ARG A 15 9.712 2.068 -8.733 1.00 0.00 C ATOM 85 CG ARG A 15 9.885 3.067 -9.864 1.00 0.00 C ATOM 86 CD ARG A 15 11.345 3.206 -10.263 1.00 0.00 C ATOM 87 NE ARG A 15 11.866 1.996 -10.889 1.00 0.00 N ATOM 88 CZ ARG A 15 13.136 1.611 -10.826 1.00 0.00 C ATOM 89 NH1 ARG A 15 14.012 2.305 -10.111 1.00 0.00 N ATOM 90 NH2 ARG A 15 13.524 0.521 -11.474 1.00 0.00 N ATOM 0 H ARG A 15 8.306 3.913 -7.961 1.00 0.00 H new ATOM 0 HA ARG A 15 7.687 1.485 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.282 2.409 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.137 1.111 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.299 2.748 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.496 4.038 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.453 4.044 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.940 3.441 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 15 11.214 1.408 -11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.712 3.139 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.986 2.005 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.849 -0.017 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.498 0.221 -11.429 1.00 0.00 H new ATOM 104 N GLN A 16 8.596 1.204 -5.995 1.00 0.00 N ATOM 105 CA GLN A 16 8.544 0.305 -4.847 1.00 0.00 C ATOM 106 C GLN A 16 7.110 -0.121 -4.591 1.00 0.00 C ATOM 107 O GLN A 16 6.827 -1.302 -4.408 1.00 0.00 O ATOM 108 CB GLN A 16 9.116 0.972 -3.592 1.00 0.00 C ATOM 109 CG GLN A 16 10.583 1.356 -3.705 1.00 0.00 C ATOM 110 CD GLN A 16 11.481 0.173 -4.015 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.185 -0.963 -3.651 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.595 0.434 -4.679 1.00 0.00 N ATOM 0 H GLN A 16 8.965 2.132 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 16 9.152 -0.570 -5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.534 1.867 -3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.993 0.295 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.698 2.107 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.906 1.816 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.806 1.390 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.242 -0.321 -4.906 1.00 0.00 H new ATOM 121 N ALA A 17 6.211 0.857 -4.597 1.00 0.00 N ATOM 122 CA ALA A 17 4.785 0.600 -4.418 1.00 0.00 C ATOM 123 C ALA A 17 4.280 -0.465 -5.390 1.00 0.00 C ATOM 124 O ALA A 17 3.578 -1.399 -4.992 1.00 0.00 O ATOM 125 CB ALA A 17 3.990 1.882 -4.606 1.00 0.00 C ATOM 0 H ALA A 17 6.446 1.841 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 17 4.643 0.229 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.929 1.675 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.313 2.621 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.158 2.270 -5.611 1.00 0.00 H new ATOM 131 N GLN A 18 4.649 -0.320 -6.661 1.00 0.00 N ATOM 132 CA GLN A 18 4.220 -1.238 -7.706 1.00 0.00 C ATOM 133 C GLN A 18 4.574 -2.682 -7.362 1.00 0.00 C ATOM 134 O GLN A 18 3.728 -3.572 -7.448 1.00 0.00 O ATOM 135 CB GLN A 18 4.867 -0.858 -9.040 1.00 0.00 C ATOM 136 CG GLN A 18 4.486 0.529 -9.541 1.00 0.00 C ATOM 137 CD GLN A 18 2.989 0.707 -9.715 1.00 0.00 C ATOM 138 OE1 GLN A 18 2.302 -0.358 -10.092 1.00 0.00 O flip ATOM 139 NE2 GLN A 18 2.457 1.801 -9.535 1.00 0.00 N flip ATOM 0 H GLN A 18 5.251 0.434 -6.991 1.00 0.00 H new ATOM 0 HA GLN A 18 3.136 -1.161 -7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.951 -0.910 -8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.585 -1.595 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.856 1.277 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.981 0.714 -10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.020 2.600 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.453 1.909 -9.677 1.00 0.00 H new ATOM 148 N ALA A 19 5.815 -2.901 -6.950 1.00 0.00 N ATOM 149 CA ALA A 19 6.315 -4.246 -6.677 1.00 0.00 C ATOM 150 C ALA A 19 5.557 -4.927 -5.536 1.00 0.00 C ATOM 151 O ALA A 19 5.402 -6.155 -5.519 1.00 0.00 O ATOM 152 CB ALA A 19 7.800 -4.194 -6.362 1.00 0.00 C ATOM 0 H ALA A 19 6.500 -2.161 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 19 6.151 -4.843 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.165 -5.201 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.338 -3.778 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.964 -3.566 -5.486 1.00 0.00 H new ATOM 158 N VAL A 20 5.033 -4.140 -4.610 1.00 0.00 N ATOM 159 CA VAL A 20 4.451 -4.705 -3.407 1.00 0.00 C ATOM 160 C VAL A 20 3.014 -5.031 -3.711 1.00 0.00 C ATOM 161 O VAL A 20 2.418 -5.933 -3.141 1.00 0.00 O ATOM 162 CB VAL A 20 4.515 -3.731 -2.211 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.174 -4.448 -0.913 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.886 -3.080 -2.110 1.00 0.00 C ATOM 0 H VAL A 20 4.999 -3.122 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 20 5.017 -5.592 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 20 3.776 -2.948 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.225 -3.743 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.167 -4.859 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.886 -5.257 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.904 -2.399 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.645 -3.850 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.093 -2.524 -3.024 1.00 0.00 H new ATOM 174 N THR A 21 2.499 -4.302 -4.674 1.00 0.00 N ATOM 175 CA THR A 21 1.130 -4.424 -5.085 1.00 0.00 C ATOM 176 C THR A 21 0.963 -5.524 -6.129 1.00 0.00 C ATOM 177 O THR A 21 -0.083 -6.167 -6.205 1.00 0.00 O ATOM 178 CB THR A 21 0.651 -3.088 -5.646 1.00 0.00 C ATOM 179 OG1 THR A 21 0.995 -2.027 -4.742 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.832 -3.116 -5.839 1.00 0.00 C ATOM 0 H THR A 21 3.028 -3.603 -5.195 1.00 0.00 H new ATOM 0 HA THR A 21 0.528 -4.695 -4.218 1.00 0.00 H new ATOM 0 HB THR A 21 1.136 -2.916 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.875 -1.667 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.165 -2.159 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.093 -3.912 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.320 -3.298 -4.882 1.00 0.00 H new ATOM 188 N THR A 22 1.989 -5.737 -6.944 1.00 0.00 N ATOM 189 CA THR A 22 1.986 -6.867 -7.853 1.00 0.00 C ATOM 190 C THR A 22 2.115 -8.158 -7.051 1.00 0.00 C ATOM 191 O THR A 22 1.626 -9.214 -7.457 1.00 0.00 O ATOM 192 CB THR A 22 3.114 -6.769 -8.901 1.00 0.00 C ATOM 193 OG1 THR A 22 4.358 -6.457 -8.263 1.00 0.00 O ATOM 194 CG2 THR A 22 2.789 -5.710 -9.947 1.00 0.00 C ATOM 0 H THR A 22 2.821 -5.149 -6.992 1.00 0.00 H new ATOM 0 HA THR A 22 1.043 -6.863 -8.399 1.00 0.00 H new ATOM 0 HB THR A 22 3.200 -7.735 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.259 -6.545 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.598 -5.658 -10.676 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.860 -5.972 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.676 -4.741 -9.461 1.00 0.00 H new ATOM 202 N THR A 23 2.775 -8.060 -5.902 1.00 0.00 N ATOM 203 CA THR A 23 2.813 -9.165 -4.966 1.00 0.00 C ATOM 204 C THR A 23 1.495 -9.274 -4.179 1.00 0.00 C ATOM 205 O THR A 23 0.848 -10.322 -4.191 1.00 0.00 O ATOM 206 CB THR A 23 3.996 -9.031 -3.994 1.00 0.00 C ATOM 207 OG1 THR A 23 5.196 -8.769 -4.736 1.00 0.00 O ATOM 208 CG2 THR A 23 4.170 -10.306 -3.182 1.00 0.00 C ATOM 0 H THR A 23 3.286 -7.230 -5.602 1.00 0.00 H new ATOM 0 HA THR A 23 2.945 -10.077 -5.548 1.00 0.00 H new ATOM 0 HB THR A 23 3.795 -8.206 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.285 -7.804 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.012 -10.191 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.263 -10.499 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.359 -11.143 -3.854 1.00 0.00 H new ATOM 216 N TYR A 24 1.091 -8.196 -3.501 1.00 0.00 N ATOM 217 CA TYR A 24 -0.134 -8.202 -2.727 1.00 0.00 C ATOM 218 C TYR A 24 -1.210 -7.414 -3.463 1.00 0.00 C ATOM 219 O TYR A 24 -1.248 -6.188 -3.403 1.00 0.00 O ATOM 220 CB TYR A 24 0.106 -7.578 -1.350 1.00 0.00 C ATOM 221 CG TYR A 24 1.199 -8.242 -0.545 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.535 -7.942 -0.778 1.00 0.00 C ATOM 223 CD2 TYR A 24 0.898 -9.166 0.445 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.540 -8.545 -0.055 1.00 0.00 C ATOM 225 CE2 TYR A 24 1.901 -9.773 1.178 1.00 0.00 C ATOM 226 CZ TYR A 24 3.220 -9.458 0.921 1.00 0.00 C ATOM 227 OH TYR A 24 4.224 -10.066 1.635 1.00 0.00 O ATOM 0 H TYR A 24 1.601 -7.313 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.462 -9.233 -2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.356 -6.525 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.822 -7.617 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.791 -7.222 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.134 -9.415 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.573 -8.302 -0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.654 -10.490 1.947 1.00 0.00 H new ATOM 0 HH TYR A 24 3.833 -10.684 2.288 1.00 0.00 H new ATOM 237 N SER A 25 -2.072 -8.114 -4.170 1.00 0.00 N ATOM 238 CA SER A 25 -3.161 -7.483 -4.894 1.00 0.00 C ATOM 239 C SER A 25 -4.227 -6.925 -3.944 1.00 0.00 C ATOM 240 O SER A 25 -5.239 -6.378 -4.385 1.00 0.00 O ATOM 241 CB SER A 25 -3.775 -8.489 -5.857 1.00 0.00 C ATOM 242 OG SER A 25 -3.943 -9.750 -5.226 1.00 0.00 O ATOM 0 H SER A 25 -2.041 -9.129 -4.260 1.00 0.00 H new ATOM 0 HA SER A 25 -2.759 -6.639 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.739 -8.122 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.136 -8.598 -6.733 1.00 0.00 H new ATOM 0 HG SER A 25 -4.340 -10.383 -5.860 1.00 0.00 H new ATOM 248 N ASN A 26 -3.999 -7.072 -2.640 1.00 0.00 N ATOM 249 CA ASN A 26 -4.875 -6.475 -1.639 1.00 0.00 C ATOM 250 C ASN A 26 -4.479 -5.022 -1.419 1.00 0.00 C ATOM 251 O ASN A 26 -5.186 -4.263 -0.755 1.00 0.00 O ATOM 252 CB ASN A 26 -4.809 -7.248 -0.317 1.00 0.00 C ATOM 253 CG ASN A 26 -3.497 -7.065 0.426 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.503 -7.730 0.136 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.497 -6.198 1.419 1.00 0.00 N ATOM 0 H ASN A 26 -3.216 -7.599 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.901 -6.521 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.629 -6.926 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.959 -8.309 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.654 -6.061 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.340 -5.664 1.630 1.00 0.00 H new ATOM 262 N ILE A 27 -3.329 -4.650 -1.969 1.00 0.00 N ATOM 263 CA ILE A 27 -2.904 -3.268 -1.966 1.00 0.00 C ATOM 264 C ILE A 27 -3.536 -2.581 -3.166 1.00 0.00 C ATOM 265 O ILE A 27 -3.595 -3.159 -4.253 1.00 0.00 O ATOM 266 CB ILE A 27 -1.367 -3.110 -2.047 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.645 -4.227 -1.281 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.957 -1.741 -1.516 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.824 -3.963 -1.066 1.00 0.00 C ATOM 0 H ILE A 27 -2.678 -5.292 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.221 -2.820 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.072 -3.189 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.127 -4.361 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.761 -5.163 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.126 -1.637 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.430 -0.962 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.274 -1.644 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.267 -4.795 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.320 -3.859 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.948 -3.044 -0.493 1.00 0.00 H new ATOM 281 N THR A 28 -4.022 -1.372 -2.981 1.00 0.00 N ATOM 282 CA THR A 28 -4.712 -0.680 -4.054 1.00 0.00 C ATOM 283 C THR A 28 -4.175 0.728 -4.228 1.00 0.00 C ATOM 284 O THR A 28 -4.102 1.498 -3.273 1.00 0.00 O ATOM 285 CB THR A 28 -6.233 -0.638 -3.807 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.498 -0.426 -2.417 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.894 -1.930 -4.266 1.00 0.00 C ATOM 0 H THR A 28 -3.954 -0.850 -2.107 1.00 0.00 H new ATOM 0 HA THR A 28 -4.528 -1.239 -4.971 1.00 0.00 H new ATOM 0 HB THR A 28 -6.649 0.187 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.430 -0.147 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.967 -1.876 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.716 -2.071 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.473 -2.770 -3.714 1.00 0.00 H new ATOM 295 N LEU A 29 -3.778 1.052 -5.447 1.00 0.00 N ATOM 296 CA LEU A 29 -3.248 2.369 -5.746 1.00 0.00 C ATOM 297 C LEU A 29 -4.383 3.277 -6.187 1.00 0.00 C ATOM 298 O LEU A 29 -4.936 3.113 -7.278 1.00 0.00 O ATOM 299 CB LEU A 29 -2.174 2.270 -6.840 1.00 0.00 C ATOM 300 CG LEU A 29 -1.204 3.458 -6.945 1.00 0.00 C ATOM 301 CD1 LEU A 29 -0.005 3.085 -7.801 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.890 4.684 -7.527 1.00 0.00 C ATOM 0 H LEU A 29 -3.813 0.419 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.784 2.789 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.591 1.365 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.674 2.149 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.867 3.701 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.674 3.935 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.515 2.240 -7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.343 2.812 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.176 5.506 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.263 4.453 -8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.723 4.973 -6.886 1.00 0.00 H new ATOM 314 N GLU A 30 -4.751 4.214 -5.331 1.00 0.00 N ATOM 315 CA GLU A 30 -5.806 5.160 -5.648 1.00 0.00 C ATOM 316 C GLU A 30 -5.298 6.587 -5.541 1.00 0.00 C ATOM 317 O GLU A 30 -4.217 6.833 -5.004 1.00 0.00 O ATOM 318 CB GLU A 30 -7.017 4.965 -4.735 1.00 0.00 C ATOM 319 CG GLU A 30 -7.738 3.643 -4.944 1.00 0.00 C ATOM 320 CD GLU A 30 -9.137 3.651 -4.369 1.00 0.00 C ATOM 321 OE1 GLU A 30 -10.025 4.291 -4.973 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.362 3.028 -3.314 1.00 0.00 O ATOM 0 H GLU A 30 -4.334 4.340 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.118 4.974 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.691 5.030 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.720 5.781 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.788 3.424 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.163 2.841 -4.481 1.00 0.00 H new ATOM 329 N ASP A 31 -6.100 7.514 -6.048 1.00 0.00 N ATOM 330 CA ASP A 31 -5.764 8.936 -6.079 1.00 0.00 C ATOM 331 C ASP A 31 -4.527 9.176 -6.933 1.00 0.00 C ATOM 332 O ASP A 31 -3.464 9.540 -6.430 1.00 0.00 O ATOM 333 CB ASP A 31 -5.563 9.496 -4.668 1.00 0.00 C ATOM 334 CG ASP A 31 -6.154 10.883 -4.517 1.00 0.00 C ATOM 335 OD1 ASP A 31 -5.515 11.862 -4.950 1.00 0.00 O ATOM 336 OD2 ASP A 31 -7.273 10.999 -3.966 1.00 0.00 O ATOM 0 H ASP A 31 -7.011 7.301 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.604 9.465 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.024 8.825 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.498 9.529 -4.440 1.00 0.00 H new ATOM 341 N ASP A 32 -4.675 8.953 -8.231 1.00 0.00 N ATOM 342 CA ASP A 32 -3.568 9.038 -9.166 1.00 0.00 C ATOM 343 C ASP A 32 -3.283 10.480 -9.571 1.00 0.00 C ATOM 344 O ASP A 32 -3.977 11.048 -10.417 1.00 0.00 O ATOM 345 CB ASP A 32 -3.874 8.221 -10.420 1.00 0.00 C ATOM 346 CG ASP A 32 -3.933 6.728 -10.170 1.00 0.00 C ATOM 347 OD1 ASP A 32 -2.881 6.065 -10.265 1.00 0.00 O ATOM 348 OD2 ASP A 32 -5.040 6.205 -9.904 1.00 0.00 O ATOM 0 H ASP A 32 -5.566 8.708 -8.663 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.687 8.638 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.827 8.550 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.112 8.425 -11.172 1.00 0.00 H new ATOM 353 N GLN A 33 -2.269 11.073 -8.958 1.00 0.00 N ATOM 354 CA GLN A 33 -1.820 12.407 -9.346 1.00 0.00 C ATOM 355 C GLN A 33 -0.412 12.322 -9.933 1.00 0.00 C ATOM 356 O GLN A 33 0.232 13.334 -10.211 1.00 0.00 O ATOM 357 CB GLN A 33 -1.835 13.351 -8.142 1.00 0.00 C ATOM 358 CG GLN A 33 -1.752 14.824 -8.514 1.00 0.00 C ATOM 359 CD GLN A 33 -1.521 15.718 -7.314 1.00 0.00 C ATOM 360 OE1 GLN A 33 -1.914 15.394 -6.194 1.00 0.00 O ATOM 361 NE2 GLN A 33 -0.887 16.855 -7.538 1.00 0.00 N ATOM 0 H GLN A 33 -1.741 10.655 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.501 12.804 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.748 13.181 -7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.999 13.104 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.943 14.968 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.675 15.121 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.576 17.089 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.708 17.499 -6.768 1.00 0.00 H new ATOM 370 N GLY A 34 0.060 11.096 -10.112 1.00 0.00 N ATOM 371 CA GLY A 34 1.391 10.879 -10.644 1.00 0.00 C ATOM 372 C GLY A 34 2.428 10.766 -9.546 1.00 0.00 C ATOM 373 O GLY A 34 2.835 9.664 -9.174 1.00 0.00 O ATOM 0 H GLY A 34 -0.458 10.244 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.398 9.969 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.655 11.702 -11.309 1.00 0.00 H new ATOM 377 N SER A 35 2.848 11.906 -9.019 1.00 0.00 N ATOM 378 CA SER A 35 3.843 11.936 -7.957 1.00 0.00 C ATOM 379 C SER A 35 3.170 11.788 -6.594 1.00 0.00 C ATOM 380 O SER A 35 3.815 11.461 -5.597 1.00 0.00 O ATOM 381 CB SER A 35 4.640 13.236 -8.035 1.00 0.00 C ATOM 382 OG SER A 35 5.166 13.424 -9.340 1.00 0.00 O ATOM 0 H SER A 35 2.515 12.825 -9.310 1.00 0.00 H new ATOM 0 HA SER A 35 4.530 11.099 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.000 14.078 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.453 13.214 -7.309 1.00 0.00 H new ATOM 0 HG SER A 35 5.672 14.263 -9.371 1.00 0.00 H new ATOM 388 N HIS A 36 1.868 12.045 -6.558 1.00 0.00 N ATOM 389 CA HIS A 36 1.070 11.804 -5.366 1.00 0.00 C ATOM 390 C HIS A 36 0.060 10.702 -5.639 1.00 0.00 C ATOM 391 O HIS A 36 -0.621 10.714 -6.666 1.00 0.00 O ATOM 392 CB HIS A 36 0.337 13.072 -4.910 1.00 0.00 C ATOM 393 CG HIS A 36 1.231 14.132 -4.341 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.078 15.473 -4.611 1.00 0.00 N ATOM 395 CD2 HIS A 36 2.282 14.043 -3.492 1.00 0.00 C ATOM 396 CE1 HIS A 36 1.992 16.160 -3.956 1.00 0.00 C ATOM 397 NE2 HIS A 36 2.735 15.318 -3.268 1.00 0.00 N ATOM 0 H HIS A 36 1.342 12.422 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 36 1.746 11.500 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.206 13.488 -5.759 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.405 12.798 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.688 13.136 -3.069 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.112 17.233 -3.979 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.519 15.572 -2.667 1.00 0.00 H new ATOM 406 N PHE A 37 -0.016 9.746 -4.731 1.00 0.00 N ATOM 407 CA PHE A 37 -0.952 8.642 -4.844 1.00 0.00 C ATOM 408 C PHE A 37 -1.047 7.965 -3.493 1.00 0.00 C ATOM 409 O PHE A 37 -0.142 8.111 -2.677 1.00 0.00 O ATOM 410 CB PHE A 37 -0.495 7.644 -5.918 1.00 0.00 C ATOM 411 CG PHE A 37 0.842 7.009 -5.644 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.014 7.629 -6.050 1.00 0.00 C ATOM 413 CD2 PHE A 37 0.925 5.792 -4.984 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.241 7.049 -5.803 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.151 5.208 -4.734 1.00 0.00 C ATOM 416 CZ PHE A 37 3.310 5.837 -5.144 1.00 0.00 C ATOM 0 H PHE A 37 0.568 9.713 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.930 9.016 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.245 6.859 -6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.451 8.157 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.966 8.577 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.021 5.296 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.147 7.542 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.203 4.260 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.270 5.382 -4.950 1.00 0.00 H new ATOM 426 N ARG A 38 -2.131 7.258 -3.229 1.00 0.00 N ATOM 427 CA ARG A 38 -2.237 6.553 -1.961 1.00 0.00 C ATOM 428 C ARG A 38 -2.504 5.073 -2.173 1.00 0.00 C ATOM 429 O ARG A 38 -3.229 4.680 -3.089 1.00 0.00 O ATOM 430 CB ARG A 38 -3.318 7.176 -1.065 1.00 0.00 C ATOM 431 CG ARG A 38 -4.737 6.818 -1.464 1.00 0.00 C ATOM 432 CD ARG A 38 -5.756 7.475 -0.546 1.00 0.00 C ATOM 433 NE ARG A 38 -7.077 6.862 -0.677 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.936 7.128 -1.661 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.628 8.023 -2.595 1.00 0.00 N ATOM 436 NH2 ARG A 38 -9.105 6.502 -1.708 1.00 0.00 N ATOM 0 H ARG A 38 -2.930 7.156 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.278 6.653 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.150 6.857 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.210 8.260 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.917 7.131 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.863 5.736 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.419 7.396 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.823 8.538 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.360 6.186 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.732 8.509 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.288 8.224 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.346 5.817 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.763 6.705 -2.461 1.00 0.00 H new ATOM 450 N LEU A 39 -1.899 4.257 -1.330 1.00 0.00 N ATOM 451 CA LEU A 39 -2.124 2.827 -1.358 1.00 0.00 C ATOM 452 C LEU A 39 -3.027 2.434 -0.213 1.00 0.00 C ATOM 453 O LEU A 39 -2.861 2.902 0.914 1.00 0.00 O ATOM 454 CB LEU A 39 -0.817 2.049 -1.247 1.00 0.00 C ATOM 455 CG LEU A 39 0.239 2.385 -2.284 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.524 1.653 -1.954 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.235 2.019 -3.680 1.00 0.00 C ATOM 0 H LEU A 39 -1.243 4.565 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.590 2.583 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.396 2.222 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.042 0.985 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 39 0.421 3.460 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.282 1.895 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.874 1.959 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.342 0.578 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.540 2.270 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.442 0.950 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.143 2.575 -3.913 1.00 0.00 H new ATOM 469 N VAL A 40 -3.995 1.609 -0.515 1.00 0.00 N ATOM 470 CA VAL A 40 -4.878 1.069 0.496 1.00 0.00 C ATOM 471 C VAL A 40 -4.670 -0.431 0.656 1.00 0.00 C ATOM 472 O VAL A 40 -4.892 -1.206 -0.274 1.00 0.00 O ATOM 473 CB VAL A 40 -6.361 1.342 0.155 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.278 0.876 1.276 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.588 2.817 -0.150 1.00 0.00 C ATOM 0 H VAL A 40 -4.196 1.291 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.634 1.570 1.433 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.606 0.769 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.314 1.081 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.148 -0.195 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.029 1.408 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.639 2.982 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.314 3.415 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.974 3.111 -1.001 1.00 0.00 H new ATOM 485 N VAL A 41 -4.225 -0.821 1.835 1.00 0.00 N ATOM 486 CA VAL A 41 -4.101 -2.218 2.194 1.00 0.00 C ATOM 487 C VAL A 41 -5.425 -2.712 2.744 1.00 0.00 C ATOM 488 O VAL A 41 -5.832 -2.335 3.848 1.00 0.00 O ATOM 489 CB VAL A 41 -3.009 -2.448 3.258 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.969 -3.905 3.680 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.651 -2.015 2.746 1.00 0.00 C ATOM 0 H VAL A 41 -3.939 -0.176 2.571 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.821 -2.766 1.294 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.258 -1.839 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.192 -4.045 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.934 -4.189 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.752 -4.529 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.900 -2.188 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.397 -2.591 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.677 -0.954 2.497 1.00 0.00 H new ATOM 501 N ARG A 42 -6.103 -3.524 1.968 1.00 0.00 N ATOM 502 CA ARG A 42 -7.365 -4.089 2.390 1.00 0.00 C ATOM 503 C ARG A 42 -7.143 -5.521 2.844 1.00 0.00 C ATOM 504 O ARG A 42 -6.159 -6.151 2.454 1.00 0.00 O ATOM 505 CB ARG A 42 -8.370 -4.018 1.242 1.00 0.00 C ATOM 506 CG ARG A 42 -8.424 -2.636 0.604 1.00 0.00 C ATOM 507 CD ARG A 42 -9.185 -2.626 -0.711 1.00 0.00 C ATOM 508 NE ARG A 42 -10.609 -2.904 -0.540 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.571 -2.256 -1.192 1.00 0.00 C ATOM 510 NH1 ARG A 42 -11.280 -1.203 -1.946 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.837 -2.631 -1.054 1.00 0.00 N ATOM 0 H ARG A 42 -5.801 -3.810 1.037 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.771 -3.521 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.105 -4.755 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.360 -4.283 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.895 -1.939 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.408 -2.279 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.064 -1.654 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.752 -3.368 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.881 -3.636 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.314 -0.886 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.022 -0.711 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.073 -3.417 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.574 -2.134 -1.554 1.00 0.00 H new ATOM 525 N ASP A 43 -8.032 -6.018 3.678 1.00 0.00 N ATOM 526 CA ASP A 43 -7.873 -7.346 4.255 1.00 0.00 C ATOM 527 C ASP A 43 -8.504 -8.407 3.362 1.00 0.00 C ATOM 528 O ASP A 43 -8.937 -8.116 2.247 1.00 0.00 O ATOM 529 CB ASP A 43 -8.490 -7.412 5.656 1.00 0.00 C ATOM 530 CG ASP A 43 -9.987 -7.633 5.633 1.00 0.00 C ATOM 531 OD1 ASP A 43 -10.703 -6.837 5.001 1.00 0.00 O ATOM 532 OD2 ASP A 43 -10.445 -8.637 6.215 1.00 0.00 O ATOM 0 H ASP A 43 -8.875 -5.526 3.975 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.804 -7.545 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.018 -8.218 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.273 -6.485 6.187 1.00 0.00 H new ATOM 537 N THR A 44 -8.580 -9.628 3.878 1.00 0.00 N ATOM 538 CA THR A 44 -9.104 -10.762 3.127 1.00 0.00 C ATOM 539 C THR A 44 -10.587 -10.556 2.789 1.00 0.00 C ATOM 540 O THR A 44 -11.106 -11.134 1.829 1.00 0.00 O ATOM 541 CB THR A 44 -8.909 -12.084 3.915 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.308 -13.217 3.129 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.697 -12.069 5.217 1.00 0.00 C ATOM 0 H THR A 44 -8.281 -9.859 4.825 1.00 0.00 H new ATOM 0 HA THR A 44 -8.545 -10.832 2.194 1.00 0.00 H new ATOM 0 HB THR A 44 -7.847 -12.168 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.174 -14.038 3.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.541 -13.008 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.357 -11.240 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.758 -11.948 4.999 1.00 0.00 H new ATOM 551 N GLU A 45 -11.259 -9.709 3.563 1.00 0.00 N ATOM 552 CA GLU A 45 -12.656 -9.410 3.320 1.00 0.00 C ATOM 553 C GLU A 45 -12.771 -8.263 2.321 1.00 0.00 C ATOM 554 O GLU A 45 -13.704 -8.210 1.521 1.00 0.00 O ATOM 555 CB GLU A 45 -13.352 -9.042 4.629 1.00 0.00 C ATOM 556 CG GLU A 45 -14.863 -8.986 4.516 1.00 0.00 C ATOM 557 CD GLU A 45 -15.474 -10.348 4.268 1.00 0.00 C ATOM 558 OE1 GLU A 45 -15.454 -10.814 3.110 1.00 0.00 O ATOM 559 OE2 GLU A 45 -15.968 -10.968 5.237 1.00 0.00 O ATOM 0 H GLU A 45 -10.854 -9.221 4.362 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.142 -10.293 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.080 -9.770 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.985 -8.073 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.278 -8.566 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.139 -8.314 3.704 1.00 0.00 H new ATOM 566 N GLY A 46 -11.795 -7.368 2.355 1.00 0.00 N ATOM 567 CA GLY A 46 -11.803 -6.232 1.460 1.00 0.00 C ATOM 568 C GLY A 46 -11.968 -4.920 2.197 1.00 0.00 C ATOM 569 O GLY A 46 -12.248 -3.889 1.584 1.00 0.00 O ATOM 0 H GLY A 46 -10.996 -7.409 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.872 -6.213 0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.613 -6.346 0.740 1.00 0.00 H new ATOM 573 N ARG A 47 -11.790 -4.957 3.509 1.00 0.00 N ATOM 574 CA ARG A 47 -11.903 -3.775 4.337 1.00 0.00 C ATOM 575 C ARG A 47 -10.540 -3.105 4.471 1.00 0.00 C ATOM 576 O ARG A 47 -9.520 -3.785 4.577 1.00 0.00 O ATOM 577 CB ARG A 47 -12.443 -4.173 5.710 1.00 0.00 C ATOM 578 CG ARG A 47 -13.814 -4.827 5.648 1.00 0.00 C ATOM 579 CD ARG A 47 -14.214 -5.433 6.984 1.00 0.00 C ATOM 580 NE ARG A 47 -14.411 -4.422 8.024 1.00 0.00 N ATOM 581 CZ ARG A 47 -14.852 -4.701 9.249 1.00 0.00 C ATOM 582 NH1 ARG A 47 -15.134 -5.953 9.587 1.00 0.00 N ATOM 583 NH2 ARG A 47 -15.019 -3.728 10.133 1.00 0.00 N ATOM 0 H ARG A 47 -11.564 -5.807 4.025 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.591 -3.066 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.741 -4.859 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.499 -3.287 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.556 -4.087 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.812 -5.604 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.134 -6.004 6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.444 -6.135 7.306 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.199 -3.450 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.013 -6.704 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.472 -6.164 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.810 -2.764 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.357 -3.944 11.071 1.00 0.00 H new ATOM 597 N MET A 48 -10.521 -1.779 4.448 1.00 0.00 N ATOM 598 CA MET A 48 -9.263 -1.039 4.508 1.00 0.00 C ATOM 599 C MET A 48 -8.676 -1.050 5.915 1.00 0.00 C ATOM 600 O MET A 48 -9.292 -0.572 6.867 1.00 0.00 O ATOM 601 CB MET A 48 -9.443 0.403 4.010 1.00 0.00 C ATOM 602 CG MET A 48 -10.546 1.186 4.708 1.00 0.00 C ATOM 603 SD MET A 48 -10.754 2.841 4.016 1.00 0.00 S ATOM 604 CE MET A 48 -12.124 3.447 5.001 1.00 0.00 C ATOM 0 H MET A 48 -11.355 -1.195 4.389 1.00 0.00 H new ATOM 0 HA MET A 48 -8.559 -1.543 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.501 0.937 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.654 0.380 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.485 0.639 4.625 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.316 1.265 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.373 4.462 4.692 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.990 2.801 4.856 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.843 3.446 6.054 1.00 0.00 H new ATOM 614 N VAL A 49 -7.483 -1.617 6.029 1.00 0.00 N ATOM 615 CA VAL A 49 -6.785 -1.713 7.305 1.00 0.00 C ATOM 616 C VAL A 49 -5.701 -0.639 7.390 1.00 0.00 C ATOM 617 O VAL A 49 -5.394 -0.111 8.463 1.00 0.00 O ATOM 618 CB VAL A 49 -6.141 -3.109 7.472 1.00 0.00 C ATOM 619 CG1 VAL A 49 -5.531 -3.276 8.857 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.158 -4.204 7.194 1.00 0.00 C ATOM 0 H VAL A 49 -6.973 -2.022 5.244 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.511 -1.562 8.104 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.335 -3.195 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.087 -4.268 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.761 -2.519 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.308 -3.161 9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.686 -5.179 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.990 -4.113 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.528 -4.106 6.174 1.00 0.00 H new ATOM 630 N TRP A 50 -5.136 -0.323 6.236 1.00 0.00 N ATOM 631 CA TRP A 50 -4.081 0.674 6.117 1.00 0.00 C ATOM 632 C TRP A 50 -4.256 1.405 4.805 1.00 0.00 C ATOM 633 O TRP A 50 -4.549 0.790 3.792 1.00 0.00 O ATOM 634 CB TRP A 50 -2.706 -0.007 6.181 1.00 0.00 C ATOM 635 CG TRP A 50 -1.532 0.931 6.092 1.00 0.00 C ATOM 636 CD1 TRP A 50 -0.764 1.385 7.122 1.00 0.00 C ATOM 637 CD2 TRP A 50 -0.988 1.519 4.908 1.00 0.00 C ATOM 638 NE1 TRP A 50 0.229 2.208 6.648 1.00 0.00 N ATOM 639 CE2 TRP A 50 0.110 2.308 5.291 1.00 0.00 C ATOM 640 CE3 TRP A 50 -1.324 1.451 3.563 1.00 0.00 C ATOM 641 CZ2 TRP A 50 0.873 3.022 4.374 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -0.576 2.158 2.654 1.00 0.00 C ATOM 643 CH2 TRP A 50 0.516 2.936 3.059 1.00 0.00 C ATOM 0 H TRP A 50 -5.397 -0.753 5.349 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.142 1.386 6.940 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.636 -0.566 7.114 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.637 -0.731 5.369 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.914 1.134 8.162 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.939 2.669 7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.161 0.851 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.715 3.621 4.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.835 2.113 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.086 3.477 2.318 1.00 0.00 H new ATOM 654 N ARG A 51 -4.113 2.712 4.825 1.00 0.00 N ATOM 655 CA ARG A 51 -4.150 3.491 3.602 1.00 0.00 C ATOM 656 C ARG A 51 -3.449 4.820 3.802 1.00 0.00 C ATOM 657 O ARG A 51 -3.806 5.608 4.674 1.00 0.00 O ATOM 658 CB ARG A 51 -5.594 3.656 3.083 1.00 0.00 C ATOM 659 CG ARG A 51 -6.632 3.972 4.159 1.00 0.00 C ATOM 660 CD ARG A 51 -6.714 5.454 4.497 1.00 0.00 C ATOM 661 NE ARG A 51 -7.143 5.653 5.882 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.339 6.114 6.250 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.219 6.517 5.339 1.00 0.00 N ATOM 664 NH2 ARG A 51 -8.645 6.182 7.541 1.00 0.00 N ATOM 0 H ARG A 51 -3.970 3.260 5.673 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.607 2.949 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.609 4.453 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.888 2.739 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.610 3.628 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.391 3.413 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.741 5.920 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.413 5.947 3.822 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.478 5.422 6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.982 6.475 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.131 6.868 5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.967 5.883 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.558 6.533 7.831 1.00 0.00 H new ATOM 678 N ALA A 52 -2.420 5.036 3.018 1.00 0.00 N ATOM 679 CA ALA A 52 -1.618 6.236 3.119 1.00 0.00 C ATOM 680 C ALA A 52 -1.017 6.546 1.763 1.00 0.00 C ATOM 681 O ALA A 52 -1.113 5.728 0.849 1.00 0.00 O ATOM 682 CB ALA A 52 -0.538 6.074 4.181 1.00 0.00 C ATOM 0 H ALA A 52 -2.114 4.387 2.293 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.248 7.071 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.054 6.988 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.004 5.880 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.110 5.239 3.916 1.00 0.00 H new ATOM 688 N TRP A 53 -0.399 7.706 1.632 1.00 0.00 N ATOM 689 CA TRP A 53 0.068 8.177 0.343 1.00 0.00 C ATOM 690 C TRP A 53 1.392 7.536 -0.054 1.00 0.00 C ATOM 691 O TRP A 53 1.419 6.433 -0.595 1.00 0.00 O ATOM 692 CB TRP A 53 0.185 9.697 0.368 1.00 0.00 C ATOM 693 CG TRP A 53 -1.112 10.364 0.612 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.646 10.678 1.814 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.046 10.793 -0.377 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.857 11.282 1.638 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.130 11.365 0.302 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.070 10.751 -1.771 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.233 11.891 -0.361 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.164 11.270 -2.429 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.232 11.836 -1.724 1.00 0.00 C ATOM 0 H TRP A 53 -0.209 8.341 2.407 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.662 7.883 -0.412 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.892 9.990 1.144 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.593 10.042 -0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.184 10.480 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.463 11.619 2.386 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.248 10.320 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.059 12.326 0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.198 11.239 -3.508 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.073 12.238 -2.270 1.00 0.00 H new ATOM 712 N ASN A 54 2.482 8.225 0.234 1.00 0.00 N ATOM 713 CA ASN A 54 3.810 7.763 -0.164 1.00 0.00 C ATOM 714 C ASN A 54 4.890 8.473 0.645 1.00 0.00 C ATOM 715 O ASN A 54 5.907 7.881 1.006 1.00 0.00 O ATOM 716 CB ASN A 54 4.029 8.012 -1.665 1.00 0.00 C ATOM 717 CG ASN A 54 5.369 7.500 -2.163 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.488 6.358 -2.592 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.386 8.348 -2.128 1.00 0.00 N ATOM 0 H ASN A 54 2.479 9.109 0.743 1.00 0.00 H new ATOM 0 HA ASN A 54 3.876 6.693 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.230 7.529 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.958 9.081 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.304 8.058 -2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.251 9.291 -1.764 1.00 0.00 H new ATOM 726 N PHE A 55 4.649 9.744 0.945 1.00 0.00 N ATOM 727 CA PHE A 55 5.615 10.572 1.658 1.00 0.00 C ATOM 728 C PHE A 55 5.499 10.387 3.170 1.00 0.00 C ATOM 729 O PHE A 55 6.036 11.177 3.947 1.00 0.00 O ATOM 730 CB PHE A 55 5.412 12.049 1.284 1.00 0.00 C ATOM 731 CG PHE A 55 4.009 12.561 1.511 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.641 13.091 2.739 1.00 0.00 C ATOM 733 CD2 PHE A 55 3.062 12.517 0.496 1.00 0.00 C ATOM 734 CE1 PHE A 55 2.359 13.564 2.950 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.781 12.989 0.704 1.00 0.00 C ATOM 736 CZ PHE A 55 1.428 13.513 1.932 1.00 0.00 C ATOM 0 H PHE A 55 3.784 10.227 0.703 1.00 0.00 H new ATOM 0 HA PHE A 55 6.616 10.259 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.106 12.657 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.670 12.184 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.364 13.135 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.331 12.109 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.086 13.973 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.055 12.948 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.426 13.882 2.095 1.00 0.00 H new ATOM 746 N GLU A 56 4.805 9.332 3.573 1.00 0.00 N ATOM 747 CA GLU A 56 4.576 9.054 4.979 1.00 0.00 C ATOM 748 C GLU A 56 5.896 8.709 5.668 1.00 0.00 C ATOM 749 O GLU A 56 6.622 7.825 5.202 1.00 0.00 O ATOM 750 CB GLU A 56 3.585 7.895 5.144 1.00 0.00 C ATOM 751 CG GLU A 56 2.565 7.773 4.016 1.00 0.00 C ATOM 752 CD GLU A 56 1.749 9.032 3.803 1.00 0.00 C ATOM 753 OE1 GLU A 56 0.832 9.293 4.610 1.00 0.00 O ATOM 754 OE2 GLU A 56 2.017 9.750 2.817 1.00 0.00 O ATOM 0 H GLU A 56 4.389 8.651 2.938 1.00 0.00 H new ATOM 0 HA GLU A 56 4.153 9.945 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.144 6.962 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.053 8.019 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.085 7.526 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.891 6.945 4.234 1.00 0.00 H new ATOM 761 N PRO A 57 6.199 9.399 6.791 1.00 0.00 N ATOM 762 CA PRO A 57 7.459 9.257 7.538 1.00 0.00 C ATOM 763 C PRO A 57 7.970 7.822 7.603 1.00 0.00 C ATOM 764 O PRO A 57 9.138 7.558 7.327 1.00 0.00 O ATOM 765 CB PRO A 57 7.080 9.760 8.926 1.00 0.00 C ATOM 766 CG PRO A 57 6.064 10.818 8.665 1.00 0.00 C ATOM 767 CD PRO A 57 5.307 10.389 7.431 1.00 0.00 C ATOM 0 HA PRO A 57 8.275 9.803 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.672 8.959 9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.945 10.160 9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.390 10.927 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.542 11.785 8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.342 9.951 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.109 11.233 6.771 1.00 0.00 H new ATOM 775 N ASP A 58 7.101 6.896 7.978 1.00 0.00 N ATOM 776 CA ASP A 58 7.437 5.483 7.911 1.00 0.00 C ATOM 777 C ASP A 58 6.240 4.698 7.396 1.00 0.00 C ATOM 778 O ASP A 58 5.597 3.961 8.142 1.00 0.00 O ATOM 779 CB ASP A 58 7.875 4.949 9.278 1.00 0.00 C ATOM 780 CG ASP A 58 8.789 3.738 9.169 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.311 2.638 8.825 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.005 3.889 9.422 1.00 0.00 O ATOM 0 H ASP A 58 6.164 7.096 8.329 1.00 0.00 H new ATOM 0 HA ASP A 58 8.275 5.360 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.389 5.739 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.992 4.682 9.859 1.00 0.00 H new ATOM 787 N ALA A 59 5.917 4.892 6.118 1.00 0.00 N ATOM 788 CA ALA A 59 4.789 4.200 5.499 1.00 0.00 C ATOM 789 C ALA A 59 4.954 2.688 5.605 1.00 0.00 C ATOM 790 O ALA A 59 3.975 1.947 5.744 1.00 0.00 O ATOM 791 CB ALA A 59 4.652 4.612 4.044 1.00 0.00 C ATOM 0 H ALA A 59 6.420 5.522 5.493 1.00 0.00 H new ATOM 0 HA ALA A 59 3.882 4.483 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.808 4.089 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.485 5.688 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.565 4.356 3.506 1.00 0.00 H new ATOM 797 N GLY A 60 6.205 2.249 5.538 1.00 0.00 N ATOM 798 CA GLY A 60 6.520 0.843 5.655 1.00 0.00 C ATOM 799 C GLY A 60 5.977 0.220 6.922 1.00 0.00 C ATOM 800 O GLY A 60 5.453 -0.887 6.875 1.00 0.00 O ATOM 0 H GLY A 60 7.015 2.854 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.115 0.312 4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.602 0.715 5.628 1.00 0.00 H new ATOM 804 N GLU A 61 6.088 0.932 8.040 1.00 0.00 N ATOM 805 CA GLU A 61 5.637 0.420 9.332 1.00 0.00 C ATOM 806 C GLU A 61 4.224 -0.143 9.235 1.00 0.00 C ATOM 807 O GLU A 61 3.993 -1.298 9.563 1.00 0.00 O ATOM 808 CB GLU A 61 5.688 1.526 10.393 1.00 0.00 C ATOM 809 CG GLU A 61 5.078 1.133 11.732 1.00 0.00 C ATOM 810 CD GLU A 61 5.827 0.011 12.424 1.00 0.00 C ATOM 811 OE1 GLU A 61 5.494 -1.168 12.192 1.00 0.00 O ATOM 812 OE2 GLU A 61 6.734 0.309 13.227 1.00 0.00 O ATOM 0 H GLU A 61 6.488 1.869 8.078 1.00 0.00 H new ATOM 0 HA GLU A 61 6.309 -0.386 9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.727 1.816 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.166 2.404 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.059 2.005 12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.043 0.828 11.577 1.00 0.00 H new ATOM 819 N GLY A 62 3.293 0.668 8.751 1.00 0.00 N ATOM 820 CA GLY A 62 1.911 0.237 8.657 1.00 0.00 C ATOM 821 C GLY A 62 1.717 -0.905 7.676 1.00 0.00 C ATOM 822 O GLY A 62 0.964 -1.846 7.942 1.00 0.00 O ATOM 0 H GLY A 62 3.469 1.617 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.564 -0.074 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.292 1.081 8.353 1.00 0.00 H new ATOM 826 N LEU A 63 2.403 -0.822 6.545 1.00 0.00 N ATOM 827 CA LEU A 63 2.317 -1.851 5.519 1.00 0.00 C ATOM 828 C LEU A 63 2.830 -3.189 6.044 1.00 0.00 C ATOM 829 O LEU A 63 2.141 -4.206 5.949 1.00 0.00 O ATOM 830 CB LEU A 63 3.108 -1.423 4.282 1.00 0.00 C ATOM 831 CG LEU A 63 2.526 -0.224 3.534 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.567 0.382 2.610 1.00 0.00 C ATOM 833 CD2 LEU A 63 1.301 -0.639 2.736 1.00 0.00 C ATOM 0 H LEU A 63 3.028 -0.049 6.314 1.00 0.00 H new ATOM 0 HA LEU A 63 1.270 -1.977 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.128 -1.185 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.168 -2.268 3.596 1.00 0.00 H new ATOM 0 HG LEU A 63 2.229 0.526 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.136 1.234 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.425 0.713 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.889 -0.365 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.899 0.227 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.580 -1.406 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.544 -1.036 3.412 1.00 0.00 H new ATOM 845 N ASN A 64 4.028 -3.177 6.625 1.00 0.00 N ATOM 846 CA ASN A 64 4.635 -4.392 7.176 1.00 0.00 C ATOM 847 C ASN A 64 3.873 -4.849 8.409 1.00 0.00 C ATOM 848 O ASN A 64 3.901 -6.024 8.770 1.00 0.00 O ATOM 849 CB ASN A 64 6.105 -4.162 7.548 1.00 0.00 C ATOM 850 CG ASN A 64 6.998 -3.902 6.348 1.00 0.00 C ATOM 851 OD1 ASN A 64 7.514 -4.827 5.728 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.206 -2.640 6.029 1.00 0.00 N ATOM 0 H ASN A 64 4.600 -2.339 6.728 1.00 0.00 H new ATOM 0 HA ASN A 64 4.586 -5.162 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.171 -3.315 8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.477 -5.034 8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.813 -2.406 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.760 -1.898 6.568 1.00 0.00 H new ATOM 859 N ARG A 65 3.205 -3.903 9.052 1.00 0.00 N ATOM 860 CA ARG A 65 2.378 -4.180 10.216 1.00 0.00 C ATOM 861 C ARG A 65 1.245 -5.124 9.836 1.00 0.00 C ATOM 862 O ARG A 65 0.872 -6.005 10.605 1.00 0.00 O ATOM 863 CB ARG A 65 1.815 -2.867 10.757 1.00 0.00 C ATOM 864 CG ARG A 65 1.470 -2.874 12.233 1.00 0.00 C ATOM 865 CD ARG A 65 1.110 -1.467 12.683 1.00 0.00 C ATOM 866 NE ARG A 65 1.008 -1.343 14.134 1.00 0.00 N ATOM 867 CZ ARG A 65 1.834 -0.608 14.873 1.00 0.00 C ATOM 868 NH1 ARG A 65 2.890 -0.024 14.316 1.00 0.00 N ATOM 869 NH2 ARG A 65 1.620 -0.482 16.173 1.00 0.00 N ATOM 0 H ARG A 65 3.221 -2.920 8.781 1.00 0.00 H new ATOM 0 HA ARG A 65 2.982 -4.657 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.541 -2.075 10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.918 -2.614 10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.635 -3.550 12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.315 -3.246 12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.863 -0.770 12.316 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.161 -1.178 12.231 1.00 0.00 H new ATOM 0 HE ARG A 65 0.260 -1.849 14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.069 -0.139 13.318 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.521 0.539 14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.823 -0.948 16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.252 0.081 16.742 1.00 0.00 H new ATOM 883 N TYR A 66 0.703 -4.937 8.635 1.00 0.00 N ATOM 884 CA TYR A 66 -0.338 -5.823 8.138 1.00 0.00 C ATOM 885 C TYR A 66 0.264 -7.092 7.538 1.00 0.00 C ATOM 886 O TYR A 66 -0.177 -8.196 7.840 1.00 0.00 O ATOM 887 CB TYR A 66 -1.218 -5.123 7.102 1.00 0.00 C ATOM 888 CG TYR A 66 -2.272 -6.041 6.528 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.451 -6.288 7.218 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.073 -6.682 5.313 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.406 -7.145 6.710 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.022 -7.545 4.800 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.186 -7.771 5.504 1.00 0.00 C ATOM 894 OH TYR A 66 -5.129 -8.632 5.004 1.00 0.00 O ATOM 0 H TYR A 66 0.966 -4.187 7.996 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.962 -6.099 8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.702 -4.262 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.592 -4.743 6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.624 -5.802 8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.162 -6.503 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.321 -7.323 7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.853 -8.039 3.855 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.840 -8.759 5.667 1.00 0.00 H new ATOM 904 N ILE A 67 1.274 -6.929 6.685 1.00 0.00 N ATOM 905 CA ILE A 67 1.941 -8.071 6.046 1.00 0.00 C ATOM 906 C ILE A 67 2.487 -9.055 7.088 1.00 0.00 C ATOM 907 O ILE A 67 2.697 -10.236 6.798 1.00 0.00 O ATOM 908 CB ILE A 67 3.089 -7.595 5.121 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.554 -6.628 4.060 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.770 -8.781 4.453 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.632 -6.011 3.195 1.00 0.00 C ATOM 0 H ILE A 67 1.651 -6.020 6.418 1.00 0.00 H new ATOM 0 HA ILE A 67 1.193 -8.587 5.444 1.00 0.00 H new ATOM 0 HB ILE A 67 3.825 -7.074 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.848 -7.159 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.999 -5.831 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.573 -8.424 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.184 -9.440 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.042 -9.330 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.175 -5.339 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.325 -5.451 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.173 -6.799 2.670 1.00 0.00 H new ATOM 923 N ARG A 68 2.693 -8.557 8.304 1.00 0.00 N ATOM 924 CA ARG A 68 3.112 -9.378 9.437 1.00 0.00 C ATOM 925 C ARG A 68 2.225 -10.615 9.590 1.00 0.00 C ATOM 926 O ARG A 68 2.700 -11.686 9.970 1.00 0.00 O ATOM 927 CB ARG A 68 3.059 -8.541 10.716 1.00 0.00 C ATOM 928 CG ARG A 68 3.509 -9.276 11.967 1.00 0.00 C ATOM 929 CD ARG A 68 3.276 -8.429 13.205 1.00 0.00 C ATOM 930 NE ARG A 68 1.859 -8.103 13.376 1.00 0.00 N ATOM 931 CZ ARG A 68 1.401 -6.947 13.850 1.00 0.00 C ATOM 932 NH1 ARG A 68 2.240 -5.997 14.233 1.00 0.00 N ATOM 933 NH2 ARG A 68 0.092 -6.748 13.945 1.00 0.00 N ATOM 0 H ARG A 68 2.574 -7.570 8.532 1.00 0.00 H new ATOM 0 HA ARG A 68 4.132 -9.718 9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.684 -7.658 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.038 -8.190 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.965 -10.216 12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.567 -9.526 11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.636 -8.963 14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.855 -7.509 13.131 1.00 0.00 H new ATOM 0 HE ARG A 68 1.174 -8.812 13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.247 -6.148 14.166 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.880 -5.114 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.557 -7.479 13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.264 -5.864 14.308 1.00 0.00 H new ATOM 947 N THR A 69 0.945 -10.478 9.268 1.00 0.00 N ATOM 948 CA THR A 69 0.025 -11.586 9.365 1.00 0.00 C ATOM 949 C THR A 69 -0.239 -12.144 7.968 1.00 0.00 C ATOM 950 O THR A 69 -1.350 -12.077 7.435 1.00 0.00 O ATOM 951 CB THR A 69 -1.291 -11.194 10.098 1.00 0.00 C ATOM 952 OG1 THR A 69 -2.198 -12.305 10.142 1.00 0.00 O ATOM 953 CG2 THR A 69 -1.976 -9.999 9.449 1.00 0.00 C ATOM 0 H THR A 69 0.528 -9.608 8.938 1.00 0.00 H new ATOM 0 HA THR A 69 0.480 -12.367 9.975 1.00 0.00 H new ATOM 0 HB THR A 69 -1.014 -10.911 11.114 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.018 -12.039 10.608 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.889 -9.763 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.307 -9.139 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.223 -10.239 8.415 1.00 0.00 H new ATOM 961 N SER A 70 0.847 -12.627 7.356 1.00 0.00 N ATOM 962 CA SER A 70 0.799 -13.350 6.085 1.00 0.00 C ATOM 963 C SER A 70 0.637 -12.423 4.875 1.00 0.00 C ATOM 964 O SER A 70 1.414 -12.498 3.917 1.00 0.00 O ATOM 965 CB SER A 70 -0.326 -14.381 6.123 1.00 0.00 C ATOM 966 OG SER A 70 -0.107 -15.334 7.153 1.00 0.00 O ATOM 0 H SER A 70 1.789 -12.526 7.733 1.00 0.00 H new ATOM 0 HA SER A 70 1.759 -13.852 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.280 -13.878 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.392 -14.889 5.161 1.00 0.00 H new ATOM 0 HG SER A 70 -0.841 -15.983 7.159 1.00 0.00 H new ATOM 972 N GLY A 71 -0.354 -11.548 4.925 1.00 0.00 N ATOM 973 CA GLY A 71 -0.699 -10.740 3.769 1.00 0.00 C ATOM 974 C GLY A 71 -1.604 -11.495 2.809 1.00 0.00 C ATOM 975 O GLY A 71 -1.876 -12.680 3.011 1.00 0.00 O ATOM 0 H GLY A 71 -0.931 -11.380 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.197 -9.828 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.211 -10.438 3.251 1.00 0.00 H new ATOM 979 N ILE A 72 -2.058 -10.826 1.755 1.00 0.00 N ATOM 980 CA ILE A 72 -2.982 -11.448 0.805 1.00 0.00 C ATOM 981 C ILE A 72 -2.226 -12.285 -0.230 1.00 0.00 C ATOM 982 O ILE A 72 -2.819 -13.016 -1.021 1.00 0.00 O ATOM 983 CB ILE A 72 -3.899 -10.384 0.135 1.00 0.00 C ATOM 984 CG1 ILE A 72 -5.325 -10.515 0.674 1.00 0.00 C ATOM 985 CG2 ILE A 72 -3.906 -10.465 -1.387 1.00 0.00 C ATOM 986 CD1 ILE A 72 -5.432 -10.320 2.170 1.00 0.00 C ATOM 0 H ILE A 72 -1.806 -9.862 1.535 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.630 -12.127 1.359 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.487 -9.408 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.961 -9.783 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.712 -11.501 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.565 -9.696 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.895 -10.310 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.263 -11.447 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.472 -10.428 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.824 -11.068 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.077 -9.324 2.433 1.00 0.00 H new ATOM 998 N ARG A 73 -0.902 -12.218 -0.175 1.00 0.00 N ATOM 999 CA ARG A 73 -0.052 -13.033 -1.042 1.00 0.00 C ATOM 1000 C ARG A 73 -0.326 -14.515 -0.814 1.00 0.00 C ATOM 1001 O ARG A 73 -0.012 -15.354 -1.655 1.00 0.00 O ATOM 1002 CB ARG A 73 1.411 -12.766 -0.748 1.00 0.00 C ATOM 1003 CG ARG A 73 1.819 -13.191 0.655 1.00 0.00 C ATOM 1004 CD ARG A 73 3.312 -13.042 0.887 1.00 0.00 C ATOM 1005 NE ARG A 73 3.663 -13.244 2.290 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.836 -13.718 2.705 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.752 -14.108 1.824 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.087 -13.815 4.004 1.00 0.00 N ATOM 0 H ARG A 73 -0.390 -11.607 0.461 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.277 -12.769 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.025 -13.296 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.614 -11.702 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.278 -12.591 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.529 -14.229 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.850 -13.762 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.632 -12.049 0.571 1.00 0.00 H new ATOM 0 HE ARG A 73 2.966 -13.007 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.558 -14.045 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.649 -14.470 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.382 -13.527 4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.985 -14.178 4.324 1.00 0.00 H new